Diff of the two buildlogs: -- --- b1/build.log 2025-03-10 10:47:24.932315041 +0000 +++ b2/build.log 2025-03-10 10:49:35.494470200 +0000 @@ -1,6 +1,6 @@ I: pbuilder: network access will be disabled during build -I: Current time: Sun Mar 9 22:42:32 -12 2025 -I: pbuilder-time-stamp: 1741603352 +I: Current time: Mon Apr 13 07:10:30 +14 2026 +I: pbuilder-time-stamp: 1776013830 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/unstable-reproducible-base.tgz] I: copying local configuration @@ -28,54 +28,86 @@ dpkg-source: info: applying disable_failing_tests.patch I: using fakeroot in build. I: Installing the build-deps -I: user script /srv/workspace/pbuilder/33560/tmp/hooks/D02_print_environment starting +I: user script /srv/workspace/pbuilder/102758/tmp/hooks/D01_modify_environment starting +debug: Running on ionos6-i386. +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 Apr 12 17:10 /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/102758/tmp/hooks/D01_modify_environment finished +I: user script /srv/workspace/pbuilder/102758/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='i386' - DEBIAN_FRONTEND='noninteractive' - DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=11 ' - DISTRIBUTION='unstable' - HOME='/root' - HOST_ARCH='i386' + 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]="37" [3]="1" [4]="release" [5]="i686-pc-linux-gnu") + BASH_VERSION='5.2.37(1)-release' + BUILDDIR=/build/reproducible-path + BUILDUSERGECOS='second user,second room,second work-phone,second home-phone,second other' + BUILDUSERNAME=pbuilder2 + BUILD_ARCH=i386 + DEBIAN_FRONTEND=noninteractive + DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=21 ' + DIRSTACK=() + DISTRIBUTION=unstable + EUID=0 + FUNCNAME=([0]="Echo" [1]="main") + GROUPS=() + HOME=/root + HOSTNAME=i-capture-the-hostname + HOSTTYPE=i686 + HOST_ARCH=i386 IFS=' ' - INVOCATION_ID='955ee4eff3f74d748b99474dfd999314' - LANG='C' - LANGUAGE='en_US:en' - LC_ALL='C' - LD_LIBRARY_PATH='/usr/lib/libeatmydata' - LD_PRELOAD='libeatmydata.so' - 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='33560' - PS1='# ' - PS2='> ' + INVOCATION_ID=b73d2683d8a64f708218624564f11f37 + LANG=C + LANGUAGE=de_CH:de + LC_ALL=C + LD_LIBRARY_PATH=/usr/lib/libeatmydata + LD_PRELOAD=libeatmydata.so + MACHTYPE=i686-pc-linux-gnu + MAIL=/var/mail/root + OPTERR=1 + OPTIND=1 + OSTYPE=linux-gnu + PATH=/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path + PBCURRENTCOMMANDLINEOPERATION=build + PBUILDER_OPERATION=build + PBUILDER_PKGDATADIR=/usr/share/pbuilder + PBUILDER_PKGLIBDIR=/usr/lib/pbuilder + PBUILDER_SYSCONFDIR=/etc + PIPESTATUS=([0]="0") + POSIXLY_CORRECT=y + PPID=102758 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.HyuR406W/pbuilderrc_iSXX --distribution unstable --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/unstable-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.HyuR406W/b1 --logfile b1/build.log mopac_23.1.2-1.dsc' - SUDO_GID='112' - SUDO_UID='107' - SUDO_USER='jenkins' - TERM='unknown' - TZ='/usr/share/zoneinfo/Etc/GMT+12' - USER='root' - _='/usr/bin/systemd-run' - http_proxy='http://46.16.76.132:3128' + 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.HyuR406W/pbuilderrc_6yhU --distribution unstable --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/unstable-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.HyuR406W/b2 --logfile b2/build.log mopac_23.1.2-1.dsc' + SUDO_GID=112 + SUDO_UID=107 + SUDO_USER=jenkins + TERM=unknown + TZ=/usr/share/zoneinfo/Etc/GMT-14 + UID=0 + USER=root + _='I: set' + http_proxy=http://213.165.73.152:3128 I: uname -a - Linux ionos12-i386 6.1.0-31-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.1.128-1 (2025-02-07) x86_64 GNU/Linux + Linux i-capture-the-hostname 6.1.0-31-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.1.128-1 (2025-02-07) x86_64 GNU/Linux I: ls -l /bin - lrwxrwxrwx 1 root root 7 Mar 4 11:20 /bin -> usr/bin -I: user script /srv/workspace/pbuilder/33560/tmp/hooks/D02_print_environment finished + lrwxrwxrwx 1 root root 7 Mar 4 2025 /bin -> usr/bin +I: user script /srv/workspace/pbuilder/102758/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy @@ -207,7 +239,7 @@ Get: 82 http://deb.debian.org/debian unstable/main i386 gfortran i386 4:14.2.0-1 [1432 B] Get: 83 http://deb.debian.org/debian unstable/main i386 libblas-dev i386 3.12.1-2 [162 kB] Get: 84 http://deb.debian.org/debian unstable/main i386 liblapack-dev i386 3.12.1-2 [4458 kB] -Fetched 75.0 MB in 1s (78.7 MB/s) +Fetched 75.0 MB in 1s (135 MB/s) Preconfiguring packages ... Selecting previously unselected package libpython3.13-minimal:i386. (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 ... 19769 files and directories currently installed.) @@ -494,8 +526,8 @@ Setting up tzdata (2025a-2) ... Current default time zone: 'Etc/UTC' -Local time is now: Mon Mar 10 10:43:15 UTC 2025. -Universal Time is now: Mon Mar 10 10:43:15 UTC 2025. +Local time is now: Sun Apr 12 17:10:57 UTC 2026. +Universal Time is now: Sun Apr 12 17:10:57 UTC 2026. Run 'dpkg-reconfigure tzdata' if you wish to change it. Setting up autotools-dev (20220109.1) ... @@ -581,7 +613,11 @@ fakeroot is already the newest version (1.37-1). 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. I: Building the package -I: Running cd /build/reproducible-path/mopac-23.1.2/ && 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_23.1.2-1_source.changes +I: user script /srv/workspace/pbuilder/102758/tmp/hooks/A99_set_merged_usr starting +Not re-configuring usrmerge for unstable +I: user script /srv/workspace/pbuilder/102758/tmp/hooks/A99_set_merged_usr finished +hostname: Name or service not known +I: Running cd /build/reproducible-path/mopac-23.1.2/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-genchanges -S > ../mopac_23.1.2-1_source.changes dpkg-buildpackage: info: source package mopac dpkg-buildpackage: info: source version 23.1.2-1 dpkg-buildpackage: info: source distribution unstable @@ -631,8 +667,8 @@ -- Found OpenMP_Fortran: -fopenmp (found version "4.5") -- Found OpenMP: TRUE (found version "4.5") -- Found Python3: /usr/bin/python3 (found version "3.13.2") found components: Interpreter --- Configuring done (5.3s) --- Generating done (0.2s) +-- Configuring done (2.3s) +-- Generating done (0.1s) CMake Warning: Manually-specified variables were not used by the project: @@ -643,7 +679,7 @@ -- Build files have been written to: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu dh_auto_build - cd obj-i686-linux-gnu && make -j11 VERBOSE=1 + cd obj-i686-linux-gnu && make -j21 VERBOSE=1 make[1]: Entering directory '/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu' /usr/bin/cmake -S/build/reproducible-path/mopac-23.1.2 -B/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu --check-build-system CMakeFiles/Makefile.cmake 0 /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/CMakeFiles /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu//CMakeFiles/progress.marks @@ -652,202 +688,202 @@ make -f CMakeFiles/mopac-core.dir/build.make CMakeFiles/mopac-core.dir/depend make -f CMakeFiles/mopac-makpol.dir/build.make CMakeFiles/mopac-makpol.dir/depend make[3]: Entering directory '/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu' +cd /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/mopac-23.1.2 /build/reproducible-path/mopac-23.1.2 /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/CMakeFiles/mopac-makpol.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu' cd /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/mopac-23.1.2 /build/reproducible-path/mopac-23.1.2 /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/CMakeFiles/mopac-core.dir/DependInfo.cmake "--color=" -cd /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/mopac-23.1.2 /build/reproducible-path/mopac-23.1.2 /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/CMakeFiles/mopac-makpol.dir/DependInfo.cmake "--color=" Dependee "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/CMakeFiles/mopac-makpol.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/CMakeFiles/mopac-makpol.dir/depend.internal". Dependee "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/CMakeFiles/mopac-makpol.dir/depend.internal". Scanning dependencies of target mopac-makpol make[3]: Leaving directory '/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu' make -f CMakeFiles/mopac-makpol.dir/build.make CMakeFiles/mopac-makpol.dir/build -make[3]: Entering directory '/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu' -[ 0%] Building Fortran object CMakeFiles/mopac-makpol.dir/src/makpol/common_ctvec.F90.o -/usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -c /build/reproducible-path/mopac-23.1.2/src/makpol/common_ctvec.F90 -o CMakeFiles/mopac-makpol.dir/src/makpol/common_ctvec.F90.o Dependee "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/CMakeFiles/mopac-core.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/CMakeFiles/mopac-core.dir/depend.internal". Dependee "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/CMakeFiles/mopac-core.dir/depend.internal". -[ 1%] Building Fortran object CMakeFiles/mopac-makpol.dir/src/makpol/common_atomtx.F90.o -[ 2%] Building Fortran object CMakeFiles/mopac-makpol.dir/src/makpol/common_jobnam.F90.o -[ 2%] Building Fortran object CMakeFiles/mopac-makpol.dir/src/makpol/common_elemts.F90.o -/usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -c /build/reproducible-path/mopac-23.1.2/src/makpol/common_atomtx.F90 -o CMakeFiles/mopac-makpol.dir/src/makpol/common_atomtx.F90.o -[ 2%] Building Fortran object CMakeFiles/mopac-makpol.dir/src/makpol/common_geosym.F90.o -[ 2%] Building Fortran object CMakeFiles/mopac-makpol.dir/src/makpol/common_sizes.F90.o +make[3]: Entering directory '/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu' +[ 0%] Building Fortran object CMakeFiles/mopac-makpol.dir/src/makpol/common_elemts.F90.o +[ 0%] Building Fortran object CMakeFiles/mopac-makpol.dir/src/makpol/common_keywrd.F90.o +[ 0%] Building Fortran object CMakeFiles/mopac-makpol.dir/src/makpol/common_sizes.F90.o +[ 1%] Building Fortran object CMakeFiles/mopac-makpol.dir/src/makpol/common_jobnam.F90.o +[ 1%] Building Fortran object CMakeFiles/mopac-makpol.dir/src/makpol/common_symult.F90.o /usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -c /build/reproducible-path/mopac-23.1.2/src/makpol/common_elemts.F90 -o CMakeFiles/mopac-makpol.dir/src/makpol/common_elemts.F90.o -[ 2%] Building Fortran object CMakeFiles/mopac-makpol.dir/src/makpol/common_keywrd.F90.o -/usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -c 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CMakeFiles/mopac-makpol.dir/src/makpol/common_systm.F90.o +/usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -c /build/reproducible-path/mopac-23.1.2/src/makpol/common_jobnam.F90 -o CMakeFiles/mopac-makpol.dir/src/makpol/common_jobnam.F90.o /usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -c /build/reproducible-path/mopac-23.1.2/src/makpol/common_symult.F90 -o CMakeFiles/mopac-makpol.dir/src/makpol/common_symult.F90.o -/usr/bin/cmake -E cmake_copy_f90_mod common_atomtx.mod CMakeFiles/mopac-makpol.dir/common_atomtx.mod.stamp GNU -/usr/bin/cmake -E cmake_copy_f90_mod common_ctvec.mod CMakeFiles/mopac-makpol.dir/common_ctvec.mod.stamp GNU -[ 3%] Building Fortran object CMakeFiles/mopac-makpol.dir/src/makpol/common_systm.F90.o /usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -c 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-ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -c /build/reproducible-path/mopac-23.1.2/src/makpol/standard.F90 -o CMakeFiles/mopac-makpol.dir/src/makpol/standard.F90.o -[ 11%] Building Fortran object CMakeFiles/mopac-core.dir/src/output/to_screen_C.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/output/to_screen_C.F90 -o CMakeFiles/mopac-core.dir/src/output/to_screen_C.F90.o -[ 11%] Building Fortran object CMakeFiles/mopac-core.dir/src/solvation/cosmo_C.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/solvation/cosmo_C.F90 -o CMakeFiles/mopac-core.dir/src/solvation/cosmo_C.F90.o -[ 11%] Building Fortran object CMakeFiles/mopac-core.dir/src/reactions/maps_C.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/reactions/maps_C.F90 -o CMakeFiles/mopac-core.dir/src/reactions/maps_C.F90.o +[ 11%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/symmetry_C.F90.o [ 11%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/meci_C.F90.o +[ 11%] Building Fortran object CMakeFiles/mopac-core.dir/src/reactions/maps_C.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/meci/meci_C.F90 -o CMakeFiles/mopac-core.dir/src/meci/meci_C.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 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CMakeFiles/mopac-core.dir/src/models/parameters_for_AM1_Sparkles_C.F90.o +[ 11%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/parameters_for_PM3_C.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/models/parameters_for_AM1_Sparkles_C.F90 -o CMakeFiles/mopac-core.dir/src/models/parameters_for_AM1_Sparkles_C.F90.o -[ 11%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/parameters_for_INDO_C.F90.o +[ 11%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/parameters_for_PM3_Sparkles_C.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/models/parameters_for_INDO_C.F90 -o 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CMakeFiles/mopac-core.dir/src/models/parameters_for_PM3_Sparkles_C.F90.o -[ 11%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/parameters_for_PM7_Sparkles_C.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/models/parameters_for_PM6_Sparkles_C.F90 -o CMakeFiles/mopac-core.dir/src/models/parameters_for_PM6_Sparkles_C.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/models/parameters_for_PM7_Sparkles_C.F90 -o CMakeFiles/mopac-core.dir/src/models/parameters_for_PM7_Sparkles_C.F90.o +[ 11%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/parameters_for_PM6_Sparkles_C.F90.o [ 11%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/parameters_for_RM1_C.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/models/parameters_for_PM6_Sparkles_C.F90 -o CMakeFiles/mopac-core.dir/src/models/parameters_for_PM6_Sparkles_C.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/models/parameters_for_RM1_C.F90 -o CMakeFiles/mopac-core.dir/src/models/parameters_for_RM1_C.F90.o +[ 11%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/parameters_for_PM7_Sparkles_C.F90.o [ 11%] 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=\"23.1.2\" -g -O2 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Building Fortran object CMakeFiles/mopac-core.dir/src/optimization/ef_C.F90.o +[ 12%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/parameters_for_mndo_C.F90.o [ 12%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/parameters_for_mndod_C.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/optimization/ef_C.F90 -o CMakeFiles/mopac-core.dir/src/optimization/ef_C.F90.o -[ 13%] Building Fortran object CMakeFiles/mopac-core.dir/src/molmec_C.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/models/parameters_for_mndo_C.F90 -o CMakeFiles/mopac-core.dir/src/models/parameters_for_mndo_C.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/models/parameters_for_mndod_C.F90 -o CMakeFiles/mopac-core.dir/src/models/parameters_for_mndod_C.F90.o +[ 12%] Building Fortran object CMakeFiles/mopac-core.dir/src/optimization/ef_C.F90.o +[ 13%] Building Fortran object CMakeFiles/mopac-core.dir/src/molmec_C.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/optimization/ef_C.F90 -o CMakeFiles/mopac-core.dir/src/optimization/ef_C.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/molmec_C.F90 -o CMakeFiles/mopac-core.dir/src/molmec_C.F90.o [ 13%] Building Fortran object CMakeFiles/mopac-core.dir/src/overlaps_C.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/overlaps_C.F90 -o CMakeFiles/mopac-core.dir/src/overlaps_C.F90.o -[ 13%] Building Fortran object CMakeFiles/mopac-core.dir/src/properties/polar_C.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/properties/polar_C.F90 -o CMakeFiles/mopac-core.dir/src/properties/polar_C.F90.o +[ 13%] Building Fortran object CMakeFiles/mopac-core.dir/src/potentials/esp_C.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/potentials/esp_C.F90 -o CMakeFiles/mopac-core.dir/src/potentials/esp_C.F90.o [ 13%] Building Fortran object CMakeFiles/mopac-core.dir/src/potentials/rotate_C.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/potentials/rotate_C.F90 -o CMakeFiles/mopac-core.dir/src/potentials/rotate_C.F90.o -[ 13%] Building Fortran object CMakeFiles/mopac-core.dir/src/potentials/esp_C.F90.o +[ 13%] Building Fortran object CMakeFiles/mopac-core.dir/src/properties/polar_C.F90.o [ 14%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/compct.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/potentials/esp_C.F90 -o CMakeFiles/mopac-core.dir/src/potentials/esp_C.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/MOZYME/compct.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/compct.F90.o [ 14%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/kab_for_MOZYME.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/properties/polar_C.F90 -o CMakeFiles/mopac-core.dir/src/properties/polar_C.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/MOZYME/compct.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/compct.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/MOZYME/kab_for_MOZYME.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/kab_for_MOZYME.F90.o [ 14%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/local2.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/MOZYME/local2.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/local2.F90.o -[ 14%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/fock1_for_MOZYME.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/MOZYME/fock1_for_MOZYME.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/fock1_for_MOZYME.F90.o [ 14%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/epseta.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/MOZYME/epseta.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/epseta.F90.o +[ 15%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/fock1_for_MOZYME.F90.o [ 15%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/jab_for_MOZYME.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/MOZYME/jab_for_MOZYME.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/jab_for_MOZYME.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/MOZYME/fock1_for_MOZYME.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/fock1_for_MOZYME.F90.o [ 16%] Building Fortran object CMakeFiles/mopac-core.dir/src/SCF/fock1.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/SCF/fock1.F90 -o CMakeFiles/mopac-core.dir/src/SCF/fock1.F90.o [ 16%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/copyc6.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/corrections/copyc6.F90 -o CMakeFiles/mopac-core.dir/src/corrections/copyc6.F90.o [ 16%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/xyzcry.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/forces/xyzcry.F90 -o CMakeFiles/mopac-core.dir/src/forces/xyzcry.F90.o [ 16%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/deri0.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/corrections/copyc6.F90 -o CMakeFiles/mopac-core.dir/src/corrections/copyc6.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/forces/xyzcry.F90 -o CMakeFiles/mopac-core.dir/src/forces/xyzcry.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/forces/deri0.F90 -o CMakeFiles/mopac-core.dir/src/forces/deri0.F90.o [ 16%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/deri21.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/forces/deri21.F90 -o CMakeFiles/mopac-core.dir/src/forces/deri21.F90.o [ 17%] Building Fortran object CMakeFiles/mopac-core.dir/src/geometry/dang.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/forces/deri21.F90 -o CMakeFiles/mopac-core.dir/src/forces/deri21.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/geometry/dang.F90 -o CMakeFiles/mopac-core.dir/src/geometry/dang.F90.o [ 17%] Building Fortran object CMakeFiles/mopac-core.dir/src/geometry/volume.F90.o -[ 17%] Building Fortran object CMakeFiles/mopac-core.dir/src/input/digit.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/geometry/volume.F90 -o CMakeFiles/mopac-core.dir/src/geometry/volume.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/input/digit.F90 -o CMakeFiles/mopac-core.dir/src/input/digit.F90.o [ 17%] Building Fortran object CMakeFiles/mopac-core.dir/src/geometry/cross.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/geometry/cross.F90 -o CMakeFiles/mopac-core.dir/src/geometry/cross.F90.o +[ 17%] Building Fortran object CMakeFiles/mopac-core.dir/src/input/digit.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/input/digit.F90 -o CMakeFiles/mopac-core.dir/src/input/digit.F90.o [ 17%] Building Fortran object CMakeFiles/mopac-core.dir/src/input/nuchar.F90.o -[ 17%] Building Fortran object CMakeFiles/mopac-core.dir/src/input/myword.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/input/nuchar.F90 -o CMakeFiles/mopac-core.dir/src/input/nuchar.F90.o +[ 17%] Building Fortran object CMakeFiles/mopac-core.dir/src/input/myword.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/input/myword.F90 -o CMakeFiles/mopac-core.dir/src/input/myword.F90.o [ 17%] Building Fortran object CMakeFiles/mopac-core.dir/src/input/getval.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/input/getval.F90 -o CMakeFiles/mopac-core.dir/src/input/getval.F90.o [ 17%] Building Fortran object CMakeFiles/mopac-core.dir/src/integrals/kab.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/integrals/kab.F90 -o CMakeFiles/mopac-core.dir/src/integrals/kab.F90.o [ 17%] Building Fortran object CMakeFiles/mopac-core.dir/src/integrals/jab.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/integrals/kab.F90 -o CMakeFiles/mopac-core.dir/src/integrals/kab.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/integrals/jab.F90 -o CMakeFiles/mopac-core.dir/src/integrals/jab.F90.o [ 17%] Building Fortran object CMakeFiles/mopac-core.dir/src/integrals/helect.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/integrals/helect.F90 -o CMakeFiles/mopac-core.dir/src/integrals/helect.F90.o @@ -876,30 +912,30 @@ [ 21%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/mtxm.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/matrix/mtxm.F90 -o CMakeFiles/mopac-core.dir/src/matrix/mtxm.F90.o [ 21%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/supdot.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/matrix/supdot.F90 -o CMakeFiles/mopac-core.dir/src/matrix/supdot.F90.o [ 21%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/schmit.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/matrix/schmit.F90 -o CMakeFiles/mopac-core.dir/src/matrix/schmit.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/matrix/supdot.F90 -o CMakeFiles/mopac-core.dir/src/matrix/supdot.F90.o [ 22%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/mxm.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/matrix/schmit.F90 -o CMakeFiles/mopac-core.dir/src/matrix/schmit.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/matrix/mxm.F90 -o CMakeFiles/mopac-core.dir/src/matrix/mxm.F90.o [ 22%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/rsp.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/matrix/rsp.F90 -o CMakeFiles/mopac-core.dir/src/matrix/rsp.F90.o [ 22%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/mult.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/matrix/mult.F90 -o CMakeFiles/mopac-core.dir/src/matrix/mult.F90.o -[ 22%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/minv.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/matrix/minv.F90 -o CMakeFiles/mopac-core.dir/src/matrix/minv.F90.o [ 23%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/dot.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/matrix/dot.F90 -o CMakeFiles/mopac-core.dir/src/matrix/dot.F90.o -[ 24%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/osinv.F90.o -[ 24%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/mamult.F90.o +[ 23%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/minv.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/matrix/minv.F90 -o CMakeFiles/mopac-core.dir/src/matrix/minv.F90.o +[ 23%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/mamult.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/matrix/mamult.F90 -o CMakeFiles/mopac-core.dir/src/matrix/mamult.F90.o -[ 24%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/ddiag.F90.o +[ 24%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/osinv.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/matrix/osinv.F90 -o CMakeFiles/mopac-core.dir/src/matrix/osinv.F90.o +[ 24%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/ddiag.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/matrix/ddiag.F90 -o CMakeFiles/mopac-core.dir/src/matrix/ddiag.F90.o -[ 24%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/aabacd.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/meci/aabacd.F90 -o CMakeFiles/mopac-core.dir/src/meci/aabacd.F90.o [ 24%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/babbcd.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/meci/babbcd.F90 -o CMakeFiles/mopac-core.dir/src/meci/babbcd.F90.o +[ 24%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/aabacd.F90.o [ 24%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/diagi.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/meci/aabacd.F90 -o CMakeFiles/mopac-core.dir/src/meci/aabacd.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/meci/diagi.F90 -o CMakeFiles/mopac-core.dir/src/meci/diagi.F90.o [ 24%] Building Fortran object CMakeFiles/mopac-core.dir/src/optimization/exchng.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/optimization/exchng.F90 -o CMakeFiles/mopac-core.dir/src/optimization/exchng.F90.o @@ -912,17 +948,17 @@ [ 27%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/rotmol.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/symmetry/rotmol.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/rotmol.F90.o [ 27%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/symopr.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/symmetry/symopr.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/symopr.F90.o [ 27%] Building Fortran object CMakeFiles/mopac-core.dir/src/utilities/prttim.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/symmetry/symopr.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/symopr.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/utilities/prttim.F90 -o CMakeFiles/mopac-core.dir/src/utilities/prttim.F90.o +/usr/bin/cmake -E cmake_copy_f90_mod common_arrays_c.mod CMakeFiles/mopac-core.dir/common_arrays_c.mod.stamp GNU [ 28%] Building Fortran object CMakeFiles/mopac-core.dir/src/utilities/upcase.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/utilities/upcase.F90 -o CMakeFiles/mopac-core.dir/src/utilities/upcase.F90.o -[ 28%] Building Fortran object CMakeFiles/mopac-core.dir/src/utilities/reada.F90.o -/usr/bin/cmake -E cmake_copy_f90_mod common_arrays_c.mod CMakeFiles/mopac-core.dir/common_arrays_c.mod.stamp GNU -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/utilities/reada.F90 -o CMakeFiles/mopac-core.dir/src/utilities/reada.F90.o /usr/bin/cmake -E cmake_copy_f90_mod reimers_c.mod CMakeFiles/mopac-core.dir/reimers_c.mod.stamp GNU /usr/bin/cmake -E cmake_copy_f90_mod mozyme_c.mod CMakeFiles/mopac-core.dir/mozyme_c.mod.stamp GNU +[ 28%] Building Fortran object CMakeFiles/mopac-core.dir/src/utilities/reada.F90.o /usr/bin/cmake -E cmake_copy_f90_mod param_global_c.mod CMakeFiles/mopac-core.dir/param_global_c.mod.stamp GNU +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/utilities/reada.F90 -o CMakeFiles/mopac-core.dir/src/utilities/reada.F90.o /usr/bin/cmake -E cmake_copy_f90_mod iter_c.mod CMakeFiles/mopac-core.dir/iter_c.mod.stamp GNU /usr/bin/cmake -E cmake_copy_f90_mod chanel_c.mod CMakeFiles/mopac-core.dir/chanel_c.mod.stamp GNU /usr/bin/cmake -E cmake_copy_f90_mod atomradii_c.mod CMakeFiles/mopac-core.dir/atomradii_c.mod.stamp GNU @@ -939,28 +975,15 @@ /usr/bin/cmake -E cmake_copy_f90_mod meci_c.mod CMakeFiles/mopac-core.dir/meci_c.mod.stamp GNU /usr/bin/cmake -E cmake_copy_f90_mod symmetry_c.mod CMakeFiles/mopac-core.dir/symmetry_c.mod.stamp GNU /usr/bin/cmake -E cmake_copy_f90_mod journal_references_c.mod CMakeFiles/mopac-core.dir/journal_references_c.mod.stamp GNU -/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/models/parameters_C.F90.o.provides.build /usr/bin/cmake -E cmake_copy_f90_mod parameters_for_am1_c.mod CMakeFiles/mopac-core.dir/parameters_for_am1_c.mod.stamp GNU -[ 28%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/esp_utilities.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/matrix/esp_utilities.F90 -o CMakeFiles/mopac-core.dir/src/matrix/esp_utilities.F90.o /usr/bin/cmake -E cmake_copy_f90_mod parameters_for_am1_sparkles_c.mod CMakeFiles/mopac-core.dir/parameters_for_am1_sparkles_c.mod.stamp GNU /usr/bin/cmake -E cmake_copy_f90_mod parameters_for_indo_c.mod CMakeFiles/mopac-core.dir/parameters_for_indo_c.mod.stamp GNU /usr/bin/cmake -E cmake_copy_f90_mod parameters_for_pm3_c.mod CMakeFiles/mopac-core.dir/parameters_for_pm3_c.mod.stamp GNU /usr/bin/cmake -E cmake_copy_f90_mod parameters_for_pm3_sparkles_c.mod CMakeFiles/mopac-core.dir/parameters_for_pm3_sparkles_c.mod.stamp GNU /usr/bin/cmake -E cmake_copy_f90_mod parameters_for_pm6_sparkles_c.mod CMakeFiles/mopac-core.dir/parameters_for_pm6_sparkles_c.mod.stamp GNU -[ 28%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/parameters_for_PM6_C.F90.o /usr/bin/cmake -E cmake_copy_f90_mod parameters_for_pm7_sparkles_c.mod CMakeFiles/mopac-core.dir/parameters_for_pm7_sparkles_c.mod.stamp GNU -[ 28%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/parameters_for_PM6_ORG_C.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/models/parameters_for_PM6_C.F90 -o CMakeFiles/mopac-core.dir/src/models/parameters_for_PM6_C.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/models/parameters_for_PM6_ORG_C.F90 -o CMakeFiles/mopac-core.dir/src/models/parameters_for_PM6_ORG_C.F90.o -[ 29%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/parameters_for_PM7_C.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/models/parameters_for_PM7_C.F90 -o CMakeFiles/mopac-core.dir/src/models/parameters_for_PM7_C.F90.o /usr/bin/cmake -E cmake_copy_f90_mod parameters_for_rm1_c.mod CMakeFiles/mopac-core.dir/parameters_for_rm1_c.mod.stamp GNU -[ 29%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/parameters_for_PM7_TS_C.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/models/parameters_for_PM7_TS_C.F90 -o CMakeFiles/mopac-core.dir/src/models/parameters_for_PM7_TS_C.F90.o /usr/bin/cmake -E cmake_copy_f90_mod parameters_for_rm1_sparkles_c.mod CMakeFiles/mopac-core.dir/parameters_for_rm1_sparkles_c.mod.stamp GNU -[ 29%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/parameters_for_PM8_C.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/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_mndo_c.mod CMakeFiles/mopac-core.dir/parameters_for_mndo_c.mod.stamp GNU /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 @@ -974,530 +997,526 @@ /usr/bin/cmake -E cmake_copy_f90_mod rotate_c.mod CMakeFiles/mopac-core.dir/rotate_c.mod.stamp GNU /usr/bin/cmake -E cmake_copy_f90_mod polar_c.mod CMakeFiles/mopac-core.dir/polar_c.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/reactions/maps_C.F90.o.provides.build -[ 30%] Building Fortran object CMakeFiles/mopac-core.dir/src/properties/CPE_Energy.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/properties/CPE_Energy.F90 -o CMakeFiles/mopac-core.dir/src/properties/CPE_Energy.F90.o /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/solvation/cosmo_C.F90.o.provides.build -[ 30%] Building Fortran object CMakeFiles/mopac-core.dir/src/solvation/afmm_C.F90.o +/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/symmetry/symmetry_C.F90.o.provides.build +[ 28%] Building Fortran object CMakeFiles/mopac-core.dir/src/solvation/afmm_C.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/solvation/afmm_C.F90 -o CMakeFiles/mopac-core.dir/src/solvation/afmm_C.F90.o -[ 30%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/charst.F90.o +[ 28%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/charst.F90.o +[ 28%] Building Fortran object CMakeFiles/mopac-core.dir/src/run_param.F90.o +[ 28%] Building Fortran object CMakeFiles/mopac-core.dir/src/run_mopac.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/symmetry/charst.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/charst.F90.o -[ 30%] 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 -Wl,--dependency-file=CMakeFiles/mopac-makpol.dir/link.d -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong "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" "CMakeFiles/mopac-makpol.dir/src/makpol/common_geosym.F90.o" "CMakeFiles/mopac-makpol.dir/src/makpol/common_jobnam.F90.o" "CMakeFiles/mopac-makpol.dir/src/makpol/common_keywrd.F90.o" "CMakeFiles/mopac-makpol.dir/src/makpol/common_sizes.F90.o" "CMakeFiles/mopac-makpol.dir/src/makpol/common_symult.F90.o" "CMakeFiles/mopac-makpol.dir/src/makpol/common_systm.F90.o" "CMakeFiles/mopac-makpol.dir/src/makpol/common_titles.F90.o" "CMakeFiles/mopac-makpol.dir/src/makpol/geout.F90.o" "CMakeFiles/mopac-makpol.dir/src/makpol/getpdb.F90.o" "CMakeFiles/mopac-makpol.dir/src/makpol/getsym.F90.o" "CMakeFiles/mopac-makpol.dir/src/makpol/gettxt.F90.o" "CMakeFiles/mopac-makpol.dir/src/makpol/haddon.F90.o" "CMakeFiles/mopac-makpol.dir/src/makpol/maklay.F90.o" "CMakeFiles/mopac-makpol.dir/src/makpol/makpol.F90.o" "CMakeFiles/mopac-makpol.dir/src/makpol/maksym.F90.o" "CMakeFiles/mopac-makpol.dir/src/makpol/mod_atomradii.F90.o" "CMakeFiles/mopac-makpol.dir/src/makpol/setcuc.F90.o" "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-23.1.2/obj-i686-linux-gnu' -[ 30%] Built target mopac-makpol -/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/symmetry/symmetry_C.F90.o.provides.build -[ 30%] Building Fortran object CMakeFiles/mopac-core.dir/src/run_mopac.F90.o +[ 28%] Building Fortran object CMakeFiles/mopac-core.dir/src/moldat.F90.o +[ 29%] Building Fortran object CMakeFiles/mopac-core.dir/src/mopend.F90.o +[ 30%] Building Fortran object CMakeFiles/mopac-core.dir/src/INDO/excite.F90.o +[ 30%] Building Fortran object CMakeFiles/mopac-core.dir/src/INDO/integral.F90.o +[ 30%] Building Fortran object CMakeFiles/mopac-core.dir/src/INDO/rci.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/run_mopac.F90 -o CMakeFiles/mopac-core.dir/src/run_mopac.F90.o -[ 30%] Building Fortran object CMakeFiles/mopac-core.dir/src/setup_mopac_arrays.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/setup_mopac_arrays.F90 -o CMakeFiles/mopac-core.dir/src/setup_mopac_arrays.F90.o -[ 30%] Building Fortran object CMakeFiles/mopac-core.dir/src/run_param.F90.o +[ 30%] Building Fortran object CMakeFiles/mopac-core.dir/src/INDO/cosci.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/run_param.F90 -o CMakeFiles/mopac-core.dir/src/run_param.F90.o -[ 31%] Building Fortran object CMakeFiles/mopac-core.dir/src/mopend.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/mopend.F90 -o CMakeFiles/mopac-core.dir/src/mopend.F90.o -[ 31%] Building Fortran object CMakeFiles/mopac-core.dir/src/moldat.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/moldat.F90 -o CMakeFiles/mopac-core.dir/src/moldat.F90.o -[ 32%] Building Fortran object CMakeFiles/mopac-core.dir/src/INDO/excite.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/INDO/excite.F90 -o CMakeFiles/mopac-core.dir/src/INDO/excite.F90.o -[ 32%] Building Fortran object CMakeFiles/mopac-core.dir/src/INDO/integral.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/INDO/integral.F90 -o CMakeFiles/mopac-core.dir/src/INDO/integral.F90.o -[ 32%] Building Fortran object CMakeFiles/mopac-core.dir/src/INDO/rci.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/INDO/rci.F90 -o CMakeFiles/mopac-core.dir/src/INDO/rci.F90.o -[ 32%] Building Fortran object CMakeFiles/mopac-core.dir/src/INDO/cosci.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/INDO/cosci.F90 -o CMakeFiles/mopac-core.dir/src/INDO/cosci.F90.o -[ 32%] Building Fortran object CMakeFiles/mopac-core.dir/src/INDO/input.F90.o +[ 30%] Building Fortran object CMakeFiles/mopac-core.dir/src/INDO/input.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/INDO/input.F90 -o CMakeFiles/mopac-core.dir/src/INDO/input.F90.o -[ 32%] Building Fortran object CMakeFiles/mopac-core.dir/src/INDO/ovlp.F90.o +[ 30%] Building Fortran object CMakeFiles/mopac-core.dir/src/INDO/scf.F90.o +[ 30%] Building Fortran object CMakeFiles/mopac-core.dir/src/INDO/ovlp.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/INDO/excite.F90 -o CMakeFiles/mopac-core.dir/src/INDO/excite.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/INDO/ovlp.F90 -o CMakeFiles/mopac-core.dir/src/INDO/ovlp.F90.o -[ 32%] Building Fortran object CMakeFiles/mopac-core.dir/src/INDO/scf.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/INDO/scf.F90 -o CMakeFiles/mopac-core.dir/src/INDO/scf.F90.o -[ 33%] Building Fortran object CMakeFiles/mopac-core.dir/src/INDO/ci.F90.o +[ 31%] Building Fortran object CMakeFiles/mopac-core.dir/src/INDO/ci.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/INDO/ci.F90 -o CMakeFiles/mopac-core.dir/src/INDO/ci.F90.o -[ 33%] Building Fortran object CMakeFiles/mopac-core.dir/src/INDO/subs.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/INDO/subs.F90 -o CMakeFiles/mopac-core.dir/src/INDO/subs.F90.o -[ 33%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/mbonds.F90.o +[ 31%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/mbonds.F90.o +[ 31%] Building Fortran object CMakeFiles/mopac-core.dir/src/INDO/subs.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c 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/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/MOZYME/check.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/check.F90.o -[ 34%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/hbonds.F90.o +[ 32%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/hbonds.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/MOZYME/hbonds.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/hbonds.F90.o -[ 34%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/buildf.F90.o +[ 32%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/buildf.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 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/build/reproducible-path/mopac-23.1.2/src/MOZYME/set_up_MOZYME_arrays.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/set_up_MOZYME_arrays.F90.o -[ 36%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/eimp.F90.o +[ 34%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/eimp.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/MOZYME/eimp.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/eimp.F90.o -[ 36%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/vecprt_for_MOZYME.F90.o +[ 34%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/vecprt_for_MOZYME.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/MOZYME/vecprt_for_MOZYME.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/vecprt_for_MOZYME.F90.o -[ 36%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/outer2.F90.o +[ 34%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/outer2.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/MOZYME/outer2.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/outer2.F90.o -[ 36%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/cnvgz.F90.o +[ 34%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/cnvgz.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/MOZYME/cnvgz.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/cnvgz.F90.o -[ 36%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/diagg.F90.o +[ 34%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/diagg.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/MOZYME/diagg.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/diagg.F90.o -[ 37%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/bonds_for_MOZYME.F90.o +[ 35%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/bonds_for_MOZYME.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/MOZYME/bonds_for_MOZYME.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/bonds_for_MOZYME.F90.o -[ 37%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/prtlmo.F90.o +[ 35%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/prtlmo.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/MOZYME/prtlmo.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/prtlmo.F90.o -[ 37%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/density_for_MOZYME.F90.o +[ 35%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/density_for_MOZYME.F90.o +[ 35%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/addhb.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/MOZYME/density_for_MOZYME.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/density_for_MOZYME.F90.o -[ 37%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/addhb.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/MOZYME/addhb.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/addhb.F90.o -[ 38%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/dipole_for_MOZYME.F90.o +[ 36%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/dipole_for_MOZYME.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/MOZYME/dipole_for_MOZYME.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/dipole_for_MOZYME.F90.o -[ 38%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/local_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=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/MOZYME/local_for_MOZYME.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/local_for_MOZYME.F90.o -[ 39%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/helecz.F90.o +[ 37%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/helecz.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/MOZYME/helecz.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/helecz.F90.o -[ 39%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/scfcri.F90.o +[ 37%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/scfcri.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/MOZYME/scfcri.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/scfcri.F90.o -[ 39%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/pinout.F90.o +[ 37%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/pinout.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/MOZYME/pinout.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/pinout.F90.o -[ 39%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/denrot_for_MOZYME.F90.o +[ 37%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/denrot_for_MOZYME.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/MOZYME/denrot_for_MOZYME.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/denrot_for_MOZYME.F90.o -[ 39%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/hybrid.F90.o +[ 37%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/hybrid.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/MOZYME/hybrid.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/hybrid.F90.o -[ 39%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/tidy.F90.o +[ 37%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/tidy.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp 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CMakeFiles/mopac-core.dir/src/MOZYME/diagg2.F90.o +[ 38%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/selmos.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/MOZYME/selmos.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/selmos.F90.o +[ 38%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/diagg2.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/MOZYME/diagg2.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/diagg2.F90.o -[ 40%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/mlmo.F90.o +[ 38%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/mlmo.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/MOZYME/mlmo.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/mlmo.F90.o -[ 41%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/convert_storage.F90.o +[ 39%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/convert_storage.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/MOZYME/convert_storage.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/convert_storage.F90.o -[ 41%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/outer1.F90.o -[ 41%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/diagg1.F90.o +[ 39%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/outer1.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/MOZYME/outer1.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/outer1.F90.o +[ 39%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/diagg1.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/MOZYME/diagg1.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/diagg1.F90.o -[ 41%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/adjvec.F90.o +[ 39%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/adjvec.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/MOZYME/adjvec.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/adjvec.F90.o -[ 42%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/MOZYME_eigs.F90.o +[ 40%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/MOZYME_eigs.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/MOZYME/MOZYME_eigs.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/MOZYME_eigs.F90.o -[ 42%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/getpar.F90.o +[ 40%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/getpar.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/PARAM/getpar.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/getpar.F90.o -[ 42%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/partab.F90.o +[ 40%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/partab.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/PARAM/partab.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/partab.F90.o -[ 42%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/extract_parameter.F90.o +[ 40%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/extract_parameter.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/PARAM/extract_parameter.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/extract_parameter.F90.o -[ 43%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/pardip.F90.o +[ 41%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/pardip.F90.o +[ 41%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/psort.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/PARAM/pardip.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/pardip.F90.o -[ 43%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/psort.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/PARAM/psort.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/psort.F90.o -[ 43%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/rapid0.F90.o +[ 41%] Building Fortran object 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-O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/PARAM/rapid3.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/rapid3.F90.o -[ 44%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/resetp.F90.o +[ 42%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/resetp.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/PARAM/resetp.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/resetp.F90.o -[ 44%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/getmol.F90.o +[ 42%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/getmol.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/PARAM/getmol.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/getmol.F90.o -[ 44%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/datinp.F90.o +[ 42%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/datinp.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/PARAM/datinp.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/datinp.F90.o -[ 45%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/direct.F90.o -[ 45%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/parkey.F90.o +[ 43%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/direct.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/PARAM/direct.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/direct.F90.o +[ 43%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/parkey.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/PARAM/parkey.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/parkey.F90.o -[ 45%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/rapid2.F90.o +[ 43%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/rapid2.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/PARAM/rapid2.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/rapid2.F90.o -[ 45%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/parfg.F90.o +[ 43%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/parfg.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/PARAM/parfg.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/parfg.F90.o -[ 45%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/optgeo.F90.o +[ 43%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/optgeo.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/PARAM/optgeo.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/optgeo.F90.o -[ 45%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/pparsav.F90.o +[ 43%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/pparsav.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/PARAM/pparsav.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/pparsav.F90.o -[ 45%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/finish.F90.o +[ 43%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/finish.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/PARAM/finish.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/finish.F90.o -[ 46%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/depfn.F90.o +[ 44%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/depfn.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/PARAM/depfn.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/depfn.F90.o -[ 46%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/savgeo.F90.o +[ 44%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/savgeo.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/PARAM/savgeo.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/savgeo.F90.o -[ 46%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/pargeo.F90.o +[ 44%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/pargeo.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/PARAM/pargeo.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/pargeo.F90.o -[ 46%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/empire.F90.o +[ 44%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/empire.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/PARAM/empire.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/empire.F90.o -[ 47%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/parips.F90.o +[ 45%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/parips.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/PARAM/parips.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/parips.F90.o -[ 47%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/filusp.F90.o +[ 45%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/filusp.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/PARAM/filusp.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/filusp.F90.o -[ 47%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/chkpar.F90.o +[ 45%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/chkpar.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/PARAM/chkpar.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/chkpar.F90.o -[ 47%] Building Fortran object CMakeFiles/mopac-core.dir/src/SCF/cnvg.F90.o +[ 45%] Building Fortran object CMakeFiles/mopac-core.dir/src/SCF/cnvg.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/SCF/cnvg.F90 -o CMakeFiles/mopac-core.dir/src/SCF/cnvg.F90.o -[ 47%] Building Fortran object CMakeFiles/mopac-core.dir/src/SCF/resolv.F90.o +[ 45%] Building Fortran object CMakeFiles/mopac-core.dir/src/SCF/resolv.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/SCF/resolv.F90 -o CMakeFiles/mopac-core.dir/src/SCF/resolv.F90.o -[ 48%] Building Fortran object CMakeFiles/mopac-core.dir/src/SCF/fock2.F90.o +[ 46%] Building Fortran object CMakeFiles/mopac-core.dir/src/SCF/fock2.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 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Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/atomrs.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/chemistry/atomrs.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/atomrs.F90.o -[ 49%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/names.F90.o +/usr/bin/f95 -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/mopac-makpol.dir/link.d -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong "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" "CMakeFiles/mopac-makpol.dir/src/makpol/common_geosym.F90.o" "CMakeFiles/mopac-makpol.dir/src/makpol/common_jobnam.F90.o" 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+make[3]: Leaving directory '/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu' +[ 47%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/names.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/chemistry/names.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/names.F90.o -[ 50%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/reseq.F90.o +[ 47%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/atomrs.F90.o +[ 48%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/reseq.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/chemistry/atomrs.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/atomrs.F90.o 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CMakeFiles/mopac-core.dir/src/chemistry/ligand.F90.o -[ 53%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/PDB3.F90.o +[ 51%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/PDB3.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/chemistry/PDB3.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/PDB3.F90.o -[ 53%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/dftd3_bits.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=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/corrections/dftd3_bits.F90 -o CMakeFiles/mopac-core.dir/src/corrections/dftd3_bits.F90.o -[ 54%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/dftd3.F90.o +[ 52%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/dftd3.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/corrections/dftd3.F90 -o CMakeFiles/mopac-core.dir/src/corrections/dftd3.F90.o -[ 54%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/H_bond_correction_EH_plus.F90.o +[ 52%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/H_bond_correction_EH_plus.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/corrections/H_bond_correction_EH_plus.F90 -o CMakeFiles/mopac-core.dir/src/corrections/H_bond_correction_EH_plus.F90.o -[ 54%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/H_bond_correction_bits.F90.o +[ 52%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/H_bond_correction_bits.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/corrections/H_bond_correction_bits.F90 -o CMakeFiles/mopac-core.dir/src/corrections/H_bond_correction_bits.F90.o -[ 54%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/H_bond_correction_EC_plus_ER.F90.o +[ 52%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/H_bond_correction_EC_plus_ER.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/corrections/H_bond_correction_EC_plus_ER.F90 -o CMakeFiles/mopac-core.dir/src/corrections/H_bond_correction_EC_plus_ER.F90.o -[ 55%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/set_up_dentate.F90.o +[ 53%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/set_up_dentate.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/corrections/set_up_dentate.F90 -o CMakeFiles/mopac-core.dir/src/corrections/set_up_dentate.F90.o -[ 55%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/gdisp.F90.o +[ 53%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/gdisp.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/corrections/gdisp.F90 -o CMakeFiles/mopac-core.dir/src/corrections/gdisp.F90.o -[ 55%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/disp_DnX.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=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/corrections/disp_DnX.F90 -o CMakeFiles/mopac-core.dir/src/corrections/disp_DnX.F90.o -[ 55%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/post_scf_corrections.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=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/corrections/post_scf_corrections.F90 -o CMakeFiles/mopac-core.dir/src/corrections/post_scf_corrections.F90.o -[ 55%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/H_bond_correction_PM6_DH_Dispersion.F90.o +[ 53%] 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=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/corrections/H_bond_correction_PM6_DH_Dispersion.F90 -o CMakeFiles/mopac-core.dir/src/corrections/H_bond_correction_PM6_DH_Dispersion.F90.o -[ 55%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/H_bond_correction_PM6_DH_type.F90.o +[ 53%] 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=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/corrections/H_bond_correction_PM6_DH_type.F90 -o CMakeFiles/mopac-core.dir/src/corrections/H_bond_correction_PM6_DH_type.F90.o -[ 56%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/Hydrogen_bond_corrections.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=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/corrections/Hydrogen_bond_corrections.F90 -o CMakeFiles/mopac-core.dir/src/corrections/Hydrogen_bond_corrections.F90.o -[ 56%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/deriv.F90.o +[ 54%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/deriv.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 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CMakeFiles/mopac-core.dir/src/forces/dcart.F90.o -[ 57%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/deri23.F90.o +[ 55%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/deri23.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/forces/deri23.F90 -o CMakeFiles/mopac-core.dir/src/forces/deri23.F90.o -[ 57%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/delsta.F90.o +[ 55%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/delsta.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/forces/delsta.F90 -o CMakeFiles/mopac-core.dir/src/forces/delsta.F90.o -[ 58%] Building Fortran object 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CMakeFiles/mopac-core.dir/src/forces/forsav.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/forces/forsav.F90 -o CMakeFiles/mopac-core.dir/src/forces/forsav.F90.o -[ 59%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/deri22.F90.o +[ 57%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/deri22.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/forces/deri22.F90 -o CMakeFiles/mopac-core.dir/src/forces/deri22.F90.o -[ 59%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/anavib.F90.o +[ 57%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/anavib.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/forces/anavib.F90 -o CMakeFiles/mopac-core.dir/src/forces/anavib.F90.o -[ 59%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/intfc.F90.o +[ 57%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/intfc.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/forces/intfc.F90 -o CMakeFiles/mopac-core.dir/src/forces/intfc.F90.o -[ 60%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/dhcore.F90.o -[ 60%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/dhc.F90.o +[ 58%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/dhcore.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/forces/dhcore.F90 -o CMakeFiles/mopac-core.dir/src/forces/dhcore.F90.o +[ 58%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/dhc.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/forces/dhc.F90 -o CMakeFiles/mopac-core.dir/src/forces/dhc.F90.o -[ 60%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/deri2.F90.o +[ 58%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/deri2.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/forces/deri2.F90 -o CMakeFiles/mopac-core.dir/src/forces/deri2.F90.o -[ 60%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/force.F90.o +[ 58%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/force.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/forces/force.F90 -o CMakeFiles/mopac-core.dir/src/forces/force.F90.o -[ 61%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/dijkl1.F90.o +[ 59%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/dijkl1.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/forces/dijkl1.F90 -o CMakeFiles/mopac-core.dir/src/forces/dijkl1.F90.o -[ 61%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/dijkl2.F90.o +[ 59%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/dijkl2.F90.o +[ 59%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/dernvo.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/forces/dijkl2.F90 -o CMakeFiles/mopac-core.dir/src/forces/dijkl2.F90.o -[ 61%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/dernvo.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/forces/dernvo.F90 -o CMakeFiles/mopac-core.dir/src/forces/dernvo.F90.o -[ 62%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/fmat.F90.o +[ 60%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/fmat.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/forces/fmat.F90 -o CMakeFiles/mopac-core.dir/src/forces/fmat.F90.o -[ 62%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/frame.F90.o +[ 60%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/frame.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/forces/frame.F90 -o CMakeFiles/mopac-core.dir/src/forces/frame.F90.o -[ 62%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/deritr.F90.o +[ 60%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/deritr.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/forces/deritr.F90 -o CMakeFiles/mopac-core.dir/src/forces/deritr.F90.o -[ 62%] Building Fortran object CMakeFiles/mopac-core.dir/src/geometry/gmetry.F90.o +[ 60%] Building Fortran object CMakeFiles/mopac-core.dir/src/geometry/gmetry.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/geometry/gmetry.F90 -o CMakeFiles/mopac-core.dir/src/geometry/gmetry.F90.o -[ 63%] Building Fortran object CMakeFiles/mopac-core.dir/src/geometry/xyzint.F90.o +[ 61%] Building Fortran object CMakeFiles/mopac-core.dir/src/geometry/xyzint.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/geometry/xyzint.F90 -o CMakeFiles/mopac-core.dir/src/geometry/xyzint.F90.o -[ 63%] Building Fortran object CMakeFiles/mopac-core.dir/src/geometry/bangle.F90.o +[ 61%] Building Fortran object CMakeFiles/mopac-core.dir/src/geometry/bangle.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/geometry/bangle.F90 -o CMakeFiles/mopac-core.dir/src/geometry/bangle.F90.o -[ 63%] Building Fortran object CMakeFiles/mopac-core.dir/src/geometry/symtry.F90.o +[ 61%] Building Fortran object CMakeFiles/mopac-core.dir/src/geometry/symtry.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/geometry/symtry.F90 -o CMakeFiles/mopac-core.dir/src/geometry/symtry.F90.o -[ 63%] Building Fortran object CMakeFiles/mopac-core.dir/src/geometry/axis.F90.o +[ 61%] Building Fortran object CMakeFiles/mopac-core.dir/src/geometry/axis.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/geometry/axis.F90 -o CMakeFiles/mopac-core.dir/src/geometry/axis.F90.o -[ 63%] Building Fortran object CMakeFiles/mopac-core.dir/src/geometry/dihed.F90.o +[ 61%] Building Fortran object CMakeFiles/mopac-core.dir/src/geometry/dihed.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/geometry/dihed.F90 -o CMakeFiles/mopac-core.dir/src/geometry/dihed.F90.o -[ 64%] Building Fortran object 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CMakeFiles/mopac-core.dir/src/input/gettxt.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/input/gettxt.F90 -o CMakeFiles/mopac-core.dir/src/input/gettxt.F90.o -[ 65%] Building Fortran object CMakeFiles/mopac-core.dir/src/input/wrt_diffs.F90.o +[ 63%] Building Fortran object CMakeFiles/mopac-core.dir/src/input/wrt_diffs.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/input/wrt_diffs.F90 -o CMakeFiles/mopac-core.dir/src/input/wrt_diffs.F90.o -[ 65%] Building Fortran object CMakeFiles/mopac-core.dir/src/input/getpdb.F90.o +[ 63%] Building Fortran object CMakeFiles/mopac-core.dir/src/input/getpdb.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/input/getpdb.F90 -o CMakeFiles/mopac-core.dir/src/input/getpdb.F90.o -[ 65%] Building Fortran object CMakeFiles/mopac-core.dir/src/input/datin.F90.o +[ 63%] Building Fortran object CMakeFiles/mopac-core.dir/src/input/datin.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/input/datin.F90 -o CMakeFiles/mopac-core.dir/src/input/datin.F90.o -[ 65%] Building Fortran object CMakeFiles/mopac-core.dir/src/input/getdat.F90.o +[ 63%] Building Fortran object CMakeFiles/mopac-core.dir/src/input/getdat.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong 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CMakeFiles/mopac-core.dir/src/meci/aababc.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/meci/aababc.F90 -o CMakeFiles/mopac-core.dir/src/meci/aababc.F90.o -[ 73%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/aabbcd.F90.o +[ 71%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/aabbcd.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/meci/aabbcd.F90 -o CMakeFiles/mopac-core.dir/src/meci/aabbcd.F90.o -[ 73%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/perm.F90.o +[ 71%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/perm.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 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Fortran object CMakeFiles/mopac-core.dir/src/models/calpar.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/models/calpar.F90 -o CMakeFiles/mopac-core.dir/src/models/calpar.F90.o -[ 77%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/alpb_and_xfac_pm3.F90.o +[ 75%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/alpb_and_xfac_pm3.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/models/alpb_and_xfac_pm3.F90 -o CMakeFiles/mopac-core.dir/src/models/alpb_and_xfac_pm3.F90.o -[ 77%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/alpb_and_xfac_am1.F90.o +[ 75%] Building Fortran object 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CMakeFiles/mopac-core.dir/src/output/modchg.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/output/modchg.F90 -o CMakeFiles/mopac-core.dir/src/output/modchg.F90.o -[ 83%] Building Fortran object CMakeFiles/mopac-core.dir/src/output/to_screen.F90.o +[ 81%] Building Fortran object CMakeFiles/mopac-core.dir/src/output/to_screen.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/output/to_screen.F90 -o CMakeFiles/mopac-core.dir/src/output/to_screen.F90.o -[ 83%] Building Fortran object CMakeFiles/mopac-core.dir/src/output/timout.F90.o +[ 81%] Building Fortran object CMakeFiles/mopac-core.dir/src/output/timout.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/output/timout.F90 -o CMakeFiles/mopac-core.dir/src/output/timout.F90.o -[ 83%] Building Fortran object CMakeFiles/mopac-core.dir/src/output/matou1.F90.o +[ 81%] Building Fortran object CMakeFiles/mopac-core.dir/src/output/matou1.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/output/matou1.F90 -o CMakeFiles/mopac-core.dir/src/output/matou1.F90.o -[ 83%] Building Fortran object CMakeFiles/mopac-core.dir/src/output/geout.F90.o +[ 81%] Building Fortran object CMakeFiles/mopac-core.dir/src/output/geout.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. 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CMakeFiles/mopac-core.dir/src/output/modgra.F90.o -[ 84%] Building Fortran object CMakeFiles/mopac-core.dir/src/output/denrot.F90.o +[ 82%] Building Fortran object CMakeFiles/mopac-core.dir/src/output/denrot.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/output/denrot.F90 -o CMakeFiles/mopac-core.dir/src/output/denrot.F90.o -[ 84%] Building Fortran object CMakeFiles/mopac-core.dir/src/output/geoutg.F90.o +[ 82%] Building Fortran object CMakeFiles/mopac-core.dir/src/output/geoutg.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/output/geoutg.F90 -o CMakeFiles/mopac-core.dir/src/output/geoutg.F90.o -[ 84%] Building Fortran object 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Fortran object CMakeFiles/mopac-core.dir/src/potentials/pmep.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/potentials/pmep.F90 -o CMakeFiles/mopac-core.dir/src/potentials/pmep.F90.o -[ 84%] Building Fortran object CMakeFiles/mopac-core.dir/src/potentials/new_esp.F90.o +[ 82%] Building Fortran object CMakeFiles/mopac-core.dir/src/potentials/new_esp.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/potentials/new_esp.F90 -o CMakeFiles/mopac-core.dir/src/potentials/new_esp.F90.o -[ 85%] Building Fortran object CMakeFiles/mopac-core.dir/src/potentials/esp.F90.o +[ 83%] Building Fortran object CMakeFiles/mopac-core.dir/src/potentials/esp.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/potentials/esp.F90 -o CMakeFiles/mopac-core.dir/src/potentials/esp.F90.o -[ 85%] Building Fortran object CMakeFiles/mopac-core.dir/src/properties/polar.F90.o +[ 83%] Building Fortran object CMakeFiles/mopac-core.dir/src/properties/polar.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/properties/polar.F90 -o CMakeFiles/mopac-core.dir/src/properties/polar.F90.o -[ 86%] Building Fortran object CMakeFiles/mopac-core.dir/src/properties/dimens.F90.o +[ 84%] Building Fortran object CMakeFiles/mopac-core.dir/src/properties/dimens.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 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CMakeFiles/mopac-core.dir/src/reactions/picopt.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/reactions/picopt.F90 -o CMakeFiles/mopac-core.dir/src/reactions/picopt.F90.o -[ 89%] Building Fortran object CMakeFiles/mopac-core.dir/src/reactions/big_swap.F90.o +[ 87%] Building Fortran object CMakeFiles/mopac-core.dir/src/reactions/big_swap.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/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 +[ 88%] Building Fortran object CMakeFiles/mopac-core.dir/src/solvation/cosmo.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/solvation/cosmo.F90 -o CMakeFiles/mopac-core.dir/src/solvation/cosmo.F90.o -[ 90%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/dtrans.F90.o +[ 88%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/dtrans.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/symmetry/dtrans.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/dtrans.F90.o -[ 90%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/symh.F90.o +[ 88%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/symh.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 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CMakeFiles/mopac-core.dir/src/symmetry/symr.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/symmetry/symr.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/symr.F90.o -[ 93%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/charvi.F90.o +[ 91%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/charvi.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/symmetry/charvi.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/charvi.F90.o -[ 93%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/maksym.F90.o +[ 91%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/maksym.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/symmetry/maksym.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/maksym.F90.o -[ 94%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/charmo.F90.o +[ 92%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/charmo.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/symmetry/charmo.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/charmo.F90.o -[ 94%] Building Fortran object CMakeFiles/mopac-core.dir/src/utilities/vecprt.F90.o +[ 92%] Building Fortran object CMakeFiles/mopac-core.dir/src/utilities/vecprt.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 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CMakeFiles/mopac-core.dir/src/utilities/prtgra.F90.o -[ 95%] Building Fortran object CMakeFiles/mopac-core.dir/src/utilities/seconds.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/utilities/seconds.F90 -o CMakeFiles/mopac-core.dir/src/utilities/seconds.F90.o /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/Common_arrays_C.F90.o.provides.build +[ 93%] Building Fortran object CMakeFiles/mopac-core.dir/src/utilities/seconds.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/utilities/seconds.F90 -o CMakeFiles/mopac-core.dir/src/utilities/seconds.F90.o /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/INDO/reimers_C.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/MOZYME/MOZYME_C.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/PARAM/Param_global_C.F90.o.provides.build @@ -1505,95 +1524,112 @@ /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 -[ 95%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/orient_water.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/chemistry/orient_water.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/orient_water.F90.o +[ 93%] Building Fortran object 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 +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/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/funcon_C.F90.o.provides.build -[ 96%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/H_bonds4.F90.o +[ 94%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/H_bonds4.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/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/integrals/mndod_C.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/interface/mopac_api.F90.o.provides.build -[ 96%] Building Fortran object CMakeFiles/mopac-core.dir/src/interface/mopac_api_createdestroy.F90.o +[ 94%] Building Fortran object CMakeFiles/mopac-core.dir/src/interface/mopac_api_createdestroy.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/interface/mopac_api_createdestroy.F90 -o CMakeFiles/mopac-core.dir/src/interface/mopac_api_createdestroy.F90.o -[ 96%] Building Fortran object CMakeFiles/mopac-core.dir/src/interface/mopac_api_operations.F90.o +[ 94%] Building Fortran object CMakeFiles/mopac-core.dir/src/interface/mopac_api_operations.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 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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 /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/models/parameters_for_AM1_Sparkles_C.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/models/parameters_for_INDO_C.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/models/parameters_for_PM3_C.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/models/parameters_for_PM3_Sparkles_C.F90.o.provides.build -/usr/bin/cmake -E cmake_copy_f90_mod parameters_for_pm6_c.mod CMakeFiles/mopac-core.dir/parameters_for_pm6_c.mod.stamp GNU -/usr/bin/cmake -E cmake_copy_f90_mod parameters_for_pm6_org_c.mod CMakeFiles/mopac-core.dir/parameters_for_pm6_org_c.mod.stamp GNU +[ 94%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/parameters_for_PM6_C.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/models/parameters_for_PM6_C.F90 -o CMakeFiles/mopac-core.dir/src/models/parameters_for_PM6_C.F90.o +[ 94%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/parameters_for_PM6_ORG_C.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/models/parameters_for_PM6_ORG_C.F90 -o CMakeFiles/mopac-core.dir/src/models/parameters_for_PM6_ORG_C.F90.o /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/models/parameters_for_PM6_Sparkles_C.F90.o.provides.build -/usr/bin/cmake -E cmake_copy_f90_mod parameters_for_pm7_c.mod CMakeFiles/mopac-core.dir/parameters_for_pm7_c.mod.stamp GNU +[ 95%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/parameters_for_PM7_C.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/models/parameters_for_PM7_C.F90 -o CMakeFiles/mopac-core.dir/src/models/parameters_for_PM7_C.F90.o /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/models/parameters_for_PM7_Sparkles_C.F90.o.provides.build -/usr/bin/cmake -E cmake_copy_f90_mod parameters_for_pm7_ts_c.mod CMakeFiles/mopac-core.dir/parameters_for_pm7_ts_c.mod.stamp GNU -/usr/bin/cmake -E cmake_copy_f90_mod parameters_for_pm8_c.mod CMakeFiles/mopac-core.dir/parameters_for_pm8_c.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/models/parameters_for_RM1_C.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/models/parameters_for_RM1_Sparkles_C.F90.o.provides.build +[ 95%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/parameters_for_PM7_TS_C.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/models/parameters_for_PM7_TS_C.F90 -o CMakeFiles/mopac-core.dir/src/models/parameters_for_PM7_TS_C.F90.o /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/models/parameters_for_mndo_C.F90.o.provides.build +[ 95%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/parameters_for_PM8_C.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/models/parameters_for_PM8_C.F90 -o CMakeFiles/mopac-core.dir/src/models/parameters_for_PM8_C.F90.o /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/models/parameters_for_mndod_C.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/molmec_C.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/optimization/ef_C.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/overlaps_C.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/potentials/esp_C.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/potentials/rotate_C.F90.o.provides.build -/usr/bin/cmake -E cmake_copy_f90_mod ygxx_simplegaussianints.mod CMakeFiles/mopac-core.dir/ygxx_simplegaussianints.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/properties/polar_C.F90.o.provides.build /usr/bin/cmake -E cmake_copy_f90_mod afmm_c.mod CMakeFiles/mopac-core.dir/afmm_c.mod.stamp GNU +[ 96%] Building Fortran object CMakeFiles/mopac-core.dir/src/properties/CPE_Energy.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/properties/CPE_Energy.F90 -o CMakeFiles/mopac-core.dir/src/properties/CPE_Energy.F90.o /usr/bin/cmake -E cmake_copy_f90_mod get_det.mod CMakeFiles/mopac-core.dir/get_det.mod.stamp GNU /usr/bin/cmake -E cmake_copy_f90_mod radii_c.mod CMakeFiles/mopac-core.dir/radii_c.mod.stamp GNU +[ 96%] Building Fortran object CMakeFiles/mopac-core.dir/src/setup_mopac_arrays.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/setup_mopac_arrays.F90 -o CMakeFiles/mopac-core.dir/src/setup_mopac_arrays.F90.o /usr/bin/cmake -E cmake_copy_f90_mod mopac_api@mopac_api_createdestroy.smod CMakeFiles/mopac-core.dir/mopac_api@mopac_api_createdestroy.smod.stamp GNU /usr/bin/cmake -E cmake_copy_f90_mod mopac_api@mopac_api_operations.smod CMakeFiles/mopac-core.dir/mopac_api@mopac_api_operations.smod.stamp GNU -[ 96%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/switch.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/models/switch.F90 -o CMakeFiles/mopac-core.dir/src/models/switch.F90.o -/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/matrix/esp_utilities.F90.o.provides.build -/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/models/parameters_for_PM6_C.F90.o.provides.build -/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/models/parameters_for_PM6_ORG_C.F90.o.provides.build -/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/models/parameters_for_PM7_C.F90.o.provides.build -/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/models/parameters_for_PM7_TS_C.F90.o.provides.build -/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 +[ 96%] Building Fortran object CMakeFiles/mopac-core.dir/src/solvation/linear_cosmo.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/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/symmetry/charst.F90.o.provides.build /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/interface/mopac_api_createdestroy.F90.o.provides.build -[ 96%] Building Fortran object CMakeFiles/mopac-core.dir/src/solvation/linear_cosmo.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/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/interface/mopac_api_operations.F90.o.provides.build [ 97%] Building Fortran object CMakeFiles/mopac-core.dir/src/interface/mopac_api_finalize.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/interface/mopac_api_finalize.F90 -o CMakeFiles/mopac-core.dir/src/interface/mopac_api_finalize.F90.o [ 97%] Building Fortran object CMakeFiles/mopac-core.dir/src/interface/mopac_api_initialize.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/interface/mopac_api_initialize.F90 -o CMakeFiles/mopac-core.dir/src/interface/mopac_api_initialize.F90.o +/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/interface/mopac_api_operations.F90.o.provides.build [ 97%] Building Fortran object CMakeFiles/mopac-core.dir/src/interface/mopac_api_saveload.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/interface/mopac_api_saveload.F90 -o CMakeFiles/mopac-core.dir/src/interface/mopac_api_saveload.F90.o /usr/bin/cmake -E cmake_copy_f90_mod mopac_api@mopac_api_finalize.smod CMakeFiles/mopac-core.dir/mopac_api@mopac_api_finalize.smod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/interface/mopac_api_finalize.F90.o.provides.build +/usr/bin/cmake -E cmake_copy_f90_mod saxpy_i.mod CMakeFiles/mopac-core.dir/saxpy_i.mod.stamp GNU +/usr/bin/cmake -E cmake_copy_f90_mod scopy_i.mod CMakeFiles/mopac-core.dir/scopy_i.mod.stamp GNU +/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 mopac_api@mopac_api_saveload.smod CMakeFiles/mopac-core.dir/mopac_api@mopac_api_saveload.smod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/interface/mopac_api_saveload.F90.o.provides.build /usr/bin/cmake -E cmake_copy_f90_mod mopac_api@mopac_api_initialize.smod CMakeFiles/mopac-core.dir/mopac_api@mopac_api_initialize.smod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/interface/mopac_api_initialize.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 ygxx_simplegaussianints.mod CMakeFiles/mopac-core.dir/ygxx_simplegaussianints.mod.stamp GNU +/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/properties/CPE_Energy.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 -[ 97%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/fock2z.F90.o -[ 97%] Building Fortran object 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 [ 98%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/iter_for_MOZYME.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/MOZYME/iter_for_MOZYME.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/iter_for_MOZYME.F90.o +[ 98%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/fock2z.F90.o +[ 98%] Building Fortran object CMakeFiles/mopac-core.dir/src/compfg.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/compfg.F90 -o CMakeFiles/mopac-core.dir/src/compfg.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/MOZYME/fock2z.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/fock2z.F90.o [ 98%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/hcore_for_MOZYME.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/MOZYME/fock2z.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/fock2z.F90.o [ 98%] Building Fortran object CMakeFiles/mopac-core.dir/src/output/prtpka.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/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=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/MOZYME/hcore_for_MOZYME.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/hcore_for_MOZYME.F90.o -[ 98%] Building Fortran object CMakeFiles/mopac-core.dir/src/output/writmo.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/output/prtpka.F90 -o CMakeFiles/mopac-core.dir/src/output/prtpka.F90.o +[ 98%] Building Fortran object CMakeFiles/mopac-core.dir/src/output/writmo.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/output/writmo.F90 -o CMakeFiles/mopac-core.dir/src/output/writmo.F90.o -/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/solvation/linear_cosmo.F90.o.provides.build +/usr/bin/cmake -E cmake_copy_f90_mod parameters_for_pm8_c.mod CMakeFiles/mopac-core.dir/parameters_for_pm8_c.mod.stamp GNU +/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/models/parameters_for_PM8_C.F90.o.provides.build +/usr/bin/cmake -E cmake_copy_f90_mod parameters_for_pm6_c.mod CMakeFiles/mopac-core.dir/parameters_for_pm6_c.mod.stamp GNU +/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/models/parameters_for_PM6_C.F90.o.provides.build +/usr/bin/cmake -E cmake_copy_f90_mod parameters_for_pm6_org_c.mod CMakeFiles/mopac-core.dir/parameters_for_pm6_org_c.mod.stamp GNU +/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/models/parameters_for_PM6_ORG_C.F90.o.provides.build +/usr/bin/cmake -E cmake_copy_f90_mod parameters_for_pm7_c.mod CMakeFiles/mopac-core.dir/parameters_for_pm7_c.mod.stamp GNU +/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/models/parameters_for_PM7_C.F90.o.provides.build +/usr/bin/cmake -E cmake_copy_f90_mod parameters_for_pm7_ts_c.mod CMakeFiles/mopac-core.dir/parameters_for_pm7_ts_c.mod.stamp GNU +/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/models/parameters_for_PM7_TS_C.F90.o.provides.build +[ 98%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/switch.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.1.2\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/models/switch.F90 -o CMakeFiles/mopac-core.dir/src/models/switch.F90.o [ 98%] 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 @@ -1605,50 +1641,50 @@ make -f CMakeFiles/mopac-param.dir/build.make CMakeFiles/mopac-param.dir/depend make -f CMakeFiles/mopac-api-test.dir/build.make CMakeFiles/mopac-api-test.dir/depend make[3]: Entering directory '/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu' -cd /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/mopac-23.1.2 /build/reproducible-path/mopac-23.1.2 /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/CMakeFiles/mopac-param.dir/DependInfo.cmake "--color=" -make[3]: Entering directory '/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu' cd /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/mopac-23.1.2 /build/reproducible-path/mopac-23.1.2 /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/CMakeFiles/mopac.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu' +cd /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/mopac-23.1.2 /build/reproducible-path/mopac-23.1.2 /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/CMakeFiles/mopac-param.dir/DependInfo.cmake "--color=" +make[3]: Entering directory '/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu' cd /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/mopac-23.1.2 /build/reproducible-path/mopac-23.1.2 /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/CMakeFiles/mopac-api-test.dir/DependInfo.cmake "--color=" +Dependee "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/CMakeFiles/mopac.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/CMakeFiles/mopac.dir/depend.internal". Dependee "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/CMakeFiles/mopac-param.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/CMakeFiles/mopac-param.dir/depend.internal". +Dependee "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/CMakeFiles/mopac-api-test.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/CMakeFiles/mopac-api-test.dir/depend.internal". +Dependee "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/CMakeFiles/mopac.dir/depend.internal". +Dependee "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/CMakeFiles/mopac-api-test.dir/depend.internal". Dependee "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/CMakeFiles/mopac-param.dir/depend.internal". Scanning dependencies of target mopac-param -make[3]: Leaving directory '/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu' -make -f CMakeFiles/mopac-param.dir/build.make CMakeFiles/mopac-param.dir/build -make[3]: Entering directory '/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu' -Dependee "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/CMakeFiles/mopac.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/CMakeFiles/mopac.dir/depend.internal". -Dependee "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/CMakeFiles/mopac.dir/depend.internal". Scanning dependencies of target mopac make[3]: Leaving directory '/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu' +make[3]: Leaving directory '/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu' +make -f CMakeFiles/mopac-param.dir/build.make CMakeFiles/mopac-param.dir/build make -f CMakeFiles/mopac.dir/build.make CMakeFiles/mopac.dir/build -make[3]: Entering directory '/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu' -Dependee "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/CMakeFiles/mopac-api-test.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/CMakeFiles/mopac-api-test.dir/depend.internal". -Dependee "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/CMakeFiles/mopac-api-test.dir/depend.internal". -[ 98%] Building Fortran object CMakeFiles/mopac-param.dir/src/param.F90.o Scanning dependencies of target mopac-api-test -/usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/param.F90 -o CMakeFiles/mopac-param.dir/src/param.F90.o +make[3]: Entering directory '/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu' +make[3]: Entering directory '/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu' make -f CMakeFiles/mopac-api-test.dir/build.make CMakeFiles/mopac-api-test.dir/build make[3]: Entering directory '/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu' [ 98%] Building Fortran object CMakeFiles/mopac.dir/src/mopac.F90.o +[ 98%] Building Fortran object CMakeFiles/mopac-param.dir/src/param.F90.o +/usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/param.F90 -o CMakeFiles/mopac-param.dir/src/param.F90.o /usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/src/mopac.F90 -o CMakeFiles/mopac.dir/src/mopac.F90.o [ 98%] Building Fortran object CMakeFiles/mopac-api-test.dir/include/mopac_wrapper.F90.o /usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/include/mopac_wrapper.F90 -o CMakeFiles/mopac-api-test.dir/include/mopac_wrapper.F90.o -[ 99%] Linking Fortran executable mopac-param -/usr/bin/cmake -E cmake_link_script CMakeFiles/mopac-param.dir/link.txt --verbose=1 [ 99%] Linking Fortran executable mopac +[ 99%] 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/cmake -E cmake_copy_f90_mod mopac_api_f.mod CMakeFiles/mopac-api-test.dir/mopac_api_f.mod.stamp GNU +/usr/bin/cmake -E touch CMakeFiles/mopac-api-test.dir/include/mopac_wrapper.F90.o.provides.build /usr/bin/f95 -Wl,-z,relro -fopenmp -Wl,--dependency-file=CMakeFiles/mopac-param.dir/link.d -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong "CMakeFiles/mopac-param.dir/src/param.F90.o" -o mopac-param -Wl,-rpath,:::::::::::::: libmopac.a /usr/lib/i386-linux-gnu/libblas.so /usr/lib/i386-linux-gnu/liblapack.so /usr/lib/i386-linux-gnu/libblas.so /usr/lib/i386-linux-gnu/liblapack.so make[3]: Leaving directory '/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu' -[ 99%] Built target mopac-param -/usr/bin/cmake -E touch CMakeFiles/mopac-api-test.dir/include/mopac_wrapper.F90.o.provides.build /usr/bin/f95 -Wl,-z,relro -fopenmp -Wl,--dependency-file=CMakeFiles/mopac.dir/link.d -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong CMakeFiles/mopac.dir/src/mopac.F90.o -o mopac -Wl,-rpath,:::::::::::::: libmopac.a /usr/lib/i386-linux-gnu/libblas.so /usr/lib/i386-linux-gnu/liblapack.so /usr/lib/i386-linux-gnu/libblas.so /usr/lib/i386-linux-gnu/liblapack.so make[3]: Leaving directory '/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu' [ 99%] Building Fortran object CMakeFiles/mopac-api-test.dir/include/mopac_wrapper_internal.F90.o -/usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/include/mopac_wrapper_internal.F90 -o CMakeFiles/mopac-api-test.dir/include/mopac_wrapper_internal.F90.o [100%] Building Fortran object CMakeFiles/mopac-api-test.dir/tests/mopac_api_test.F90.o +/usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/include/mopac_wrapper_internal.F90 -o CMakeFiles/mopac-api-test.dir/include/mopac_wrapper_internal.F90.o /usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.1.2=. -fstack-protector-strong -fopenmp -c /build/reproducible-path/mopac-23.1.2/tests/mopac_api_test.F90 -o CMakeFiles/mopac-api-test.dir/tests/mopac_api_test.F90.o +[100%] Built target mopac-param [100%] Built target mopac /usr/bin/cmake -E cmake_copy_f90_mod mopac_api_c.mod CMakeFiles/mopac-api-test.dir/mopac_api_c.mod.stamp GNU /usr/bin/cmake -E cmake_copy_f90_mod mopac_api_f@mopac_api_f_internal.smod CMakeFiles/mopac-api-test.dir/mopac_api_f@mopac_api_f_internal.smod.stamp GNU @@ -1662,10 +1698,10 @@ /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/CMakeFiles 0 make[1]: Leaving directory '/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu' dh_auto_test - cd obj-i686-linux-gnu && make -j11 test ARGS\+=--verbose ARGS\+=-j11 + cd obj-i686-linux-gnu && make -j21 test ARGS\+=--verbose ARGS\+=-j21 make[1]: Entering directory '/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu' Running tests... -/usr/bin/ctest --force-new-ctest-process --verbose -j11 +/usr/bin/ctest --force-new-ctest-process --verbose -j21 UpdateCTestConfiguration from :/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/DartConfiguration.tcl UpdateCTestConfiguration from :/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/DartConfiguration.tcl Test project /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu @@ -1742,107 +1778,250 @@ 6: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "convert_an_edited_PDB_file.mop" 6: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests 6: Test timeout computed to be: 10000000 -2: Sun Mar 9 22:45:00 2025 Job: 'Crambin_1SCF' started successfully -10: Sun Mar 9 22:45:00 2025 Job: 'PDB1CBN.ent' started successfully -4: Sun Mar 9 22:45:00 2025 Job: 'Test_XENO' started successfully -6: Sun Mar 9 22:45:00 2025 Job: 'convert_an_edited_PDB_file' started successfully -13: Sun Mar 9 22:45:00 2025 Job: 'ADD-H_Bacteriorhodopsin_1AT9' started successfully -6: -6: -6: MOPAC Job: "convert_an_edited_PDB_file.mop" ended normally on Mar 9, 2025, at 22:45. -6: -4: -4: -4: MOPAC Job: "Test_XENO.mop" ended normally on Mar 9, 2025, at 22:45. -4: -1: Sun Mar 9 22:45:00 2025 Job: 'port' started successfully -11: Sun Mar 9 22:45:00 2025 Job: 'PDB1EJG.ent' started successfully -12: Sun Mar 9 22:45:00 2025 Job: 'ADD-H_Bacteriorhodopsin_1AP9' started successfully -23: Sun Mar 9 22:45:00 2025 Job: 'IONIZE' started successfully -5: Sun Mar 9 22:45:00 2025 Job: 'Test_Hetero_group' started successfully -10: -10: -10: MOPAC Job: "PDB1CBN.ent" ended normally on Mar 9, 2025, at 22:45. -10: -5: -5: -5: MOPAC Job: "Test_Hetero_group.mop" ended normally on Mar 9, 2025, at 22:45. -5: - 1/124 Test #4: xeno ............................. Passed 0.84 sec test 7 Start 7: convert_unedited_pdb 7: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "convert_an_un-edited_PDB_file.mop" 7: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests 7: Test timeout computed to be: 10000000 -6: WARNING: numerical mismatch between -7.12533968 on reference line 525 in /build/reproducible-path/mopac-23.1.2/tests and -6.98803573 on output line 525 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -6: WARNING: numerical mismatch between 28.25378616 on reference line 525 in /build/reproducible-path/mopac-23.1.2/tests and 27.27225907 on output line 525 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -6: WARNING: numerical mismatch between 28.08733588 on reference line 525 in /build/reproducible-path/mopac-23.1.2/tests and 29.36796565 on output line 525 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -6: WARNING: numerical mismatch between -8.41248313 on reference line 526 in /build/reproducible-path/mopac-23.1.2/tests and -7.9194903 on output line 526 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -6: WARNING: numerical mismatch between 27.87173887 on reference line 526 in /build/reproducible-path/mopac-23.1.2/tests and 28.4653229 on output line 526 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -6: WARNING: numerical mismatch between 29.04523373 on reference line 526 in /build/reproducible-path/mopac-23.1.2/tests and 28.45681742 on output line 526 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -6: WARNING: numerical mismatch between -7.125 on reference line 743 in /build/reproducible-path/mopac-23.1.2/tests and -6.988 on output line 743 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -6: WARNING: numerical mismatch between 28.254 on reference line 743 in /build/reproducible-path/mopac-23.1.2/tests and 27.272 on output line 743 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -6: WARNING: numerical mismatch between 28.087 on reference line 743 in /build/reproducible-path/mopac-23.1.2/tests and 29.368 on output line 743 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -6: WARNING: numerical mismatch between -8.412 on reference line 744 in /build/reproducible-path/mopac-23.1.2/tests and -7.919 on output line 744 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -6: WARNING: numerical mismatch between 27.872 on reference line 744 in /build/reproducible-path/mopac-23.1.2/tests and 28.465 on output line 744 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -6: WARNING: numerical mismatch between 29.045 on reference line 744 in /build/reproducible-path/mopac-23.1.2/tests and 28.457 on output line 744 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -11: -11: -11: MOPAC Job: "PDB1EJG.ent" ended normally on Mar 9, 2025, at 22:45. -11: - 2/124 Test #6: convert_edited_pdb ............... Passed 0.90 sec test 8 Start 8: ters_preserved 8: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "Check_that_TERs_are_preserved.mop" "Check_TERs.pdb" 8: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests 8: Test timeout computed to be: 10000000 -7: Sun Mar 9 22:45:00 2025 Job: 'convert_an_un-edited_PDB_file' started successfully - 3/124 Test #5: hetero_group ..................... Passed 1.25 sec test 9 Start 9: compare_proteins 9: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "Compare_two_protein_structures.mop" "Structure-1.txt" "Structure-2.txt" 9: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests 9: Test timeout computed to be: 10000000 -8: Sun Mar 9 22:45:00 2025 Job: 'Check_that_TERs_are_preserved' started successfully -7: -7: -7: MOPAC Job: "convert_an_un-edited_PDB_file.mop" ended normally on Mar 9, 2025, at 22:45. -7: -8: -8: -8: MOPAC Job: "Check_that_TERs_are_preserved.mop" ended normally on Mar 9, 2025, at 22:45. -8: - 4/124 Test #7: convert_unedited_pdb ............. Passed 0.66 sec test 14 Start 14: add-h3 14: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "Au_Add-H.mop" 14: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests 14: Test timeout computed to be: 10000000 - 5/124 Test #8: ters_preserved ................... Passed 0.68 sec test 22 Start 22: locate_ts 22: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "Locate_TS.mop" "Cyclobutadiene_1.arc" "Cyclobutadiene_2.arc" 22: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests 22: Test timeout computed to be: 10000000 - 6/124 Test #10: pdb1cbn .......................... Passed 1.73 sec test 25 Start 25: salt2 25: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "SALT_2.mop" 25: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests 25: Test timeout computed to be: 10000000 -9: Sun Mar 9 22:45:01 2025 Job: 'Compare_two_protein_structures' started successfully +test 27 + Start 27: erratic-1 + +27: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "1.0" "erratic1.mop" +27: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests +27: Test timeout computed to be: 10000000 +test 28 + Start 28: erratic-2 + +28: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "1.0" "erratic2.mop" +28: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests +28: Test timeout computed to be: 10000000 +test 29 + Start 29: erratic-3 + +29: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "1.0" "erratic3.mop" +29: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests +29: Test timeout computed to be: 10000000 +test 30 + Start 30: mopac-api-test + +30: Test command: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac-api-test +30: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests +30: Test timeout computed to be: 10000000 +30: Passed API test 1 +30: Passed API test 2 +30: Passed API test 3 +30: Passed API test 4 +30: Passed API test 5 +30: Passed API test 6 +30: Passed API test 7 +30: Passed API test 8 +30: Passed API test 9 +4: Mon Apr 13 07:11:33 2026 Job: 'Test_XENO' started successfully +9: Mon Apr 13 07:11:33 2026 Job: 'Compare_two_protein_structures' started successfully +7: Mon Apr 13 07:11:33 2026 Job: 'convert_an_un-edited_PDB_file' started successfully +6: Mon Apr 13 07:11:33 2026 Job: 'convert_an_edited_PDB_file' started successfully +8: Mon Apr 13 07:11:33 2026 Job: 'Check_that_TERs_are_preserved' started successfully +2: Mon Apr 13 07:11:33 2026 Job: 'Crambin_1SCF' started successfully +1: Mon Apr 13 07:11:33 2026 Job: 'port' started successfully +28: Mon Apr 13 07:11:33 2026 Job: 'erratic2' started successfully +4: +4: +4: MOPAC Job: "Test_XENO.mop" ended normally on Apr 13, 2026, at 07:11. +4: +25: +25: +25: MOPAC Job: "SALT_2.mop" ended normally on Apr 13, 2026, at 07:11. +25: +29: +29: +29: MOPAC Job: "erratic3.mop" ended normally on Apr 13, 2026, at 07:11. +29: +7: +7: +7: MOPAC Job: "convert_an_un-edited_PDB_file.mop" ended normally on Apr 13, 2026, at 07:11. +7: +8: +8: +8: MOPAC Job: "Check_that_TERs_are_preserved.mop" ended normally on Apr 13, 2026, at 07:11. +8: +13: Mon Apr 13 07:11:33 2026 Job: 'ADD-H_Bacteriorhodopsin_1AT9' started successfully +6: +6: +6: MOPAC Job: "convert_an_edited_PDB_file.mop" ended normally on Apr 13, 2026, at 07:11. +6: +10: Mon Apr 13 07:11:33 2026 Job: 'PDB1CBN.ent' started successfully 9: 9: -9: MOPAC Job: "Compare_two_protein_structures.mop" ended normally on Mar 9, 2025, at 22:45. +9: MOPAC Job: "Compare_two_protein_structures.mop" ended normally on Apr 13, 2026, at 07:11. 9: - 7/124 Test #11: pdb1ejg .......................... Passed 1.91 sec - 8/124 Test #9: compare_proteins ................. Passed 0.54 sec +12: Mon Apr 13 07:11:33 2026 Job: 'ADD-H_Bacteriorhodopsin_1AP9' started successfully + 1/124 Test #29: erratic-3 ........................ Passed 0.20 sec +test 31 + Start 31: ag20 + +31: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/INDO-dev" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "ag20.mop" +31: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/INDO-dev +31: Test timeout computed to be: 10000000 +5: Mon Apr 13 07:11:33 2026 Job: 'Test_Hetero_group' started successfully +23: Mon Apr 13 07:11:33 2026 Job: 'IONIZE' started successfully + 2/124 Test #25: salt2 ............................ Passed 0.22 sec +test 32 + Start 32: ag20_cis_active + +32: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/INDO-dev" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "ag20_cis_active.mop" +32: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/INDO-dev +32: Test timeout computed to be: 10000000 +11: Mon Apr 13 07:11:33 2026 Job: 'PDB1EJG.ent' started successfully + 3/124 Test #9: compare_proteins ................. Passed 0.24 sec +test 33 + Start 33: benzene + +33: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/INDO-dev" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "benzene.mop" +33: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/INDO-dev +33: Test timeout computed to be: 10000000 + 4/124 Test #7: convert_unedited_pdb ............. Passed 0.26 sec +test 34 + Start 34: co_cas + +34: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/INDO-dev" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "co_cas.mop" +34: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/INDO-dev +34: Test timeout computed to be: 10000000 +5: +5: +5: MOPAC Job: "Test_Hetero_group.mop" ended normally on Apr 13, 2026, at 07:11. +5: +14: Mon Apr 13 07:11:33 2026 Job: 'Au_Add-H' started successfully +10: +10: +10: MOPAC Job: "PDB1CBN.ent" ended normally on Apr 13, 2026, at 07:11. +10: + 5/124 Test #4: xeno ............................. Passed 0.32 sec +test 35 + Start 35: co_cis + +35: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/INDO-dev" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "co_cis.mop" +35: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/INDO-dev +35: Test timeout computed to be: 10000000 +6: WARNING: numerical mismatch between -7.12533968 on reference line 525 in /build/reproducible-path/mopac-23.1.2/tests and -6.98803573 on output line 525 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +6: WARNING: numerical mismatch between 28.25378616 on reference line 525 in /build/reproducible-path/mopac-23.1.2/tests and 27.27225907 on output line 525 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +6: WARNING: numerical mismatch between 28.08733588 on reference line 525 in /build/reproducible-path/mopac-23.1.2/tests and 29.36796565 on output line 525 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +6: WARNING: numerical mismatch between -8.41248313 on reference line 526 in /build/reproducible-path/mopac-23.1.2/tests and -7.9194903 on output line 526 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +6: WARNING: numerical mismatch between 27.87173887 on reference line 526 in /build/reproducible-path/mopac-23.1.2/tests and 28.4653229 on output line 526 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +6: WARNING: numerical mismatch between 29.04523373 on reference line 526 in /build/reproducible-path/mopac-23.1.2/tests and 28.45681742 on output line 526 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +6: WARNING: numerical mismatch between -7.125 on reference line 743 in /build/reproducible-path/mopac-23.1.2/tests and -6.988 on output line 743 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +6: WARNING: numerical mismatch between 28.254 on reference line 743 in /build/reproducible-path/mopac-23.1.2/tests and 27.272 on output line 743 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +6: WARNING: numerical mismatch between 28.087 on reference line 743 in /build/reproducible-path/mopac-23.1.2/tests and 29.368 on output line 743 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +6: WARNING: numerical mismatch between -8.412 on reference line 744 in /build/reproducible-path/mopac-23.1.2/tests and -7.919 on output line 744 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +6: WARNING: numerical mismatch between 27.872 on reference line 744 in /build/reproducible-path/mopac-23.1.2/tests and 28.465 on output line 744 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +6: WARNING: numerical mismatch between 29.045 on reference line 744 in /build/reproducible-path/mopac-23.1.2/tests and 28.457 on output line 744 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +11: +11: +11: MOPAC Job: "PDB1EJG.ent" ended normally on Apr 13, 2026, at 07:11. +11: + 6/124 Test #6: convert_edited_pdb ............... Passed 0.34 sec +test 36 + Start 36: co_cis_2 + +36: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/INDO-dev" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "co_cis_2.mop" +36: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/INDO-dev +36: Test timeout computed to be: 10000000 + 7/124 Test #8: ters_preserved ................... Passed 0.34 sec +test 37 + Start 37: co_cis_PM7 + +37: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/INDO-dev" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "co_cis_PM7.mop" +37: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/INDO-dev +37: Test timeout computed to be: 10000000 + 8/124 Test #5: hetero_group ..................... Passed 0.46 sec +test 38 + Start 38: co_cis_active + +38: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/INDO-dev" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "co_cis_active.mop" +38: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/INDO-dev +38: Test timeout computed to be: 10000000 +35: +35: +35: MOPAC Job: "co_cis.mop" ended normally on Apr 13, 2026, at 07:11. +35: +36: +36: +36: MOPAC Job: "co_cis_2.mop" ended normally on Apr 13, 2026, at 07:11. +36: + 9/124 Test #35: co_cis ........................... Passed 0.58 sec +test 39 + Start 39: co_cis_solv + +39: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/INDO-dev" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "co_cis_solv.mop" +39: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/INDO-dev +39: Test timeout computed to be: 10000000 +34: +34: +34: MOPAC Job: "co_cas.mop" ended normally on Apr 13, 2026, at 07:11. +34: +14: +14: +14: MOPAC Job: "Au_Add-H.mop" ended normally on Apr 13, 2026, at 07:11. +14: +37: +37: +37: MOPAC Job: "co_cis_PM7.mop" ended normally on Apr 13, 2026, at 07:11. +37: +37: WARNING: numerical heat mismatch between -16.98521 on reference line 70 in /build/reproducible-path/mopac-23.1.2/tests/INDO-dev and -16.98542 on output line 70 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +37: WARNING: numerical mismatch between -71.06612 on reference line 70 in /build/reproducible-path/mopac-23.1.2/tests/INDO-dev and -71.06698 on output line 70 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac + 10/124 Test #36: co_cis_2 ......................... Passed 0.60 sec +test 40 + Start 40: co_cis_tdip + +40: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/INDO-dev" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "co_cis_tdip.mop" +40: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/INDO-dev +40: Test timeout computed to be: 10000000 + 11/124 Test #37: co_cis_PM7 ....................... Passed 0.61 sec +test 41 + Start 41: co_cis_trip + +41: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/INDO-dev" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "co_cis_trip.mop" +41: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/INDO-dev +41: Test timeout computed to be: 10000000 + 12/124 Test #34: co_cas ........................... Passed 0.73 sec +test 42 + Start 42: co_cis_wrtconf + +42: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/INDO-dev" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "co_cis_wrtconf.mop" +42: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/INDO-dev +42: Test timeout computed to be: 10000000 + 13/124 Test #10: pdb1cbn .......................... Passed 1.01 sec + 14/124 Test #11: pdb1ejg .......................... Passed 1.01 sec test 15 Start 15: compare_add-h @@ -1855,111 +2034,186 @@ 16: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "Compare_PDB_1EJG_and_1CBN.mop" 16: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests 16: Test timeout computed to be: 10000000 -12: -12: -12: MOPAC Job: "ADD-H_Bacteriorhodopsin_1AP9.mop" ended normally on Mar 9, 2025, at 22:45. -12: -14: Sun Mar 9 22:45:01 2025 Job: 'Au_Add-H' started successfully -25: -25: -25: MOPAC Job: "SALT_2.mop" ended normally on Mar 9, 2025, at 22:45. -25: +38: +38: +38: MOPAC Job: "co_cis_active.mop" ended normally on Apr 13, 2026, at 07:11. +38: +13: +13: +13: MOPAC Job: "ADD-H_Bacteriorhodopsin_1AT9.mop" ended normally on Apr 13, 2026, at 07:11. +13: + 15/124 Test #38: co_cis_active .................... Passed 0.59 sec +test 43 + Start 43: co_cisd + +43: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/INDO-dev" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "co_cisd.mop" +43: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/INDO-dev +43: Test timeout computed to be: 10000000 +39: +39: +39: MOPAC Job: "co_cis_solv.mop" ended normally on Apr 13, 2026, at 07:11. +39: +33: +33: +33: MOPAC Job: "benzene.mop" ended normally on Apr 13, 2026, at 07:11. +33: + 16/124 Test #39: co_cis_solv ...................... Passed 0.20 sec +test 44 + Start 44: co_cisd_quin + +44: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/INDO-dev" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "co_cisd_quin.mop" +44: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/INDO-dev +44: Test timeout computed to be: 10000000 + 17/124 Test #33: benzene .......................... Passed 0.88 sec +test 45 + Start 45: co_cisd_solv + +45: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/INDO-dev" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "co_cisd_solv.mop" +45: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/INDO-dev +45: Test timeout computed to be: 10000000 +40: +40: +40: MOPAC Job: "co_cis_tdip.mop" ended normally on Apr 13, 2026, at 07:11. +40: +22: +22: +22: MOPAC Job: "Locate_TS.mop" ended normally on Apr 13, 2026, at 07:11. +22: +41: +41: +41: MOPAC Job: "co_cis_trip.mop" ended normally on Apr 13, 2026, at 07:11. +41: + 18/124 Test #40: co_cis_tdip ...................... Passed 0.23 sec +test 46 + Start 46: co_cisd_trip + +46: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/INDO-dev" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "co_cisd_trip.mop" +46: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/INDO-dev +46: Test timeout computed to be: 10000000 + 19/124 Test #41: co_cis_trip ...................... Passed 0.22 sec +test 47 + Start 47: co_extern + +47: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/INDO-dev" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "co_extern.mop" "param.txt" +47: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/INDO-dev +47: Test timeout computed to be: 10000000 23: 23: -23: MOPAC Job: "IONIZE.mop" ended normally on Mar 9, 2025, at 22:45. +23: MOPAC Job: "IONIZE.mop" ended normally on Apr 13, 2026, at 07:11. 23: -16: Sun Mar 9 22:45:01 2025 Job: 'Compare_PDB_1EJG_and_1CBN' started successfully -15: Sun Mar 9 22:45:01 2025 Job: 'Compare_ADD-H_1EJG_and_1CBN' started successfully - 9/124 Test #23: ionize ........................... Passed 2.29 sec +15: Mon Apr 13 07:11:34 2026 Job: 'Compare_ADD-H_1EJG_and_1CBN' started successfully + 20/124 Test #22: locate_ts ........................ Passed 1.20 sec +test 48 + Start 48: co_fail + +48: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/INDO-dev" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "co_fail.mop" +48: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/INDO-dev +48: Test timeout computed to be: 10000000 + 21/124 Test #23: ionize ........................... Passed 1.23 sec test 24 Start 24: salt 24: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "SALT.mop" 24: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests 24: Test timeout computed to be: 10000000 - 10/124 Test #25: salt2 ............................ Passed 0.65 sec +42: +42: +42: MOPAC Job: "co_cis_wrtconf.mop" ended normally on Apr 13, 2026, at 07:11. +42: +43: +43: +43: MOPAC Job: "co_cisd.mop" ended normally on Apr 13, 2026, at 07:11. +43: +16: Mon Apr 13 07:11:34 2026 Job: 'Compare_PDB_1EJG_and_1CBN' started successfully + 22/124 Test #42: co_cis_wrtconf ................... Passed 0.28 sec test 26 Start 26: residues 26: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "SITE_Individual_residues.mop" 26: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests 26: Test timeout computed to be: 10000000 -13: -13: -13: MOPAC Job: "ADD-H_Bacteriorhodopsin_1AT9.mop" ended normally on Mar 9, 2025, at 22:45. -13: -14: -14: -14: MOPAC Job: "Au_Add-H.mop" ended normally on Mar 9, 2025, at 22:45. -14: -24: Sun Mar 9 22:45:02 2025 Job: 'SALT' started successfully -16: -16: -16: MOPAC Job: "Compare_PDB_1EJG_and_1CBN.mop" ended normally on Mar 9, 2025, at 22:45. -16: -26: Sun Mar 9 22:45:02 2025 Job: 'SITE_Individual_residues' started successfully -15: -15: -15: MOPAC Job: "Compare_ADD-H_1EJG_and_1CBN.mop" ended normally on Mar 9, 2025, at 22:45. -15: - 11/124 Test #15: compare_add-h .................... Passed 1.20 sec -test 27 - Start 27: erratic-1 +44: Spin is incompatible with INDO +44: +44: +44: MOPAC Job: "co_cisd_quin.mop" ended normally on Apr 13, 2026, at 07:11. +44: + 23/124 Test #43: co_cisd .......................... Passed 0.23 sec +test 49 + Start 49: co_field -27: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "1.0" "erratic1.mop" -27: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests -27: Test timeout computed to be: 10000000 - 12/124 Test #16: pdb_compare ...................... Passed 1.20 sec -test 28 - Start 28: erratic-2 +49: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/INDO-dev" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "co_field.mop" +49: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/INDO-dev +49: Test timeout computed to be: 10000000 +31: +31: +31: MOPAC Job: "ag20.mop" ended normally on Apr 13, 2026, at 07:11. +31: + 24/124 Test #44: co_cisd_quin ..................... Passed 0.20 sec +test 50 + Start 50: co_mrci -28: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "1.0" "erratic2.mop" -28: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests -28: Test timeout computed to be: 10000000 -28: Sun Mar 9 22:45:03 2025 Job: 'erratic2' started successfully -3: Sun Mar 9 22:45:03 2025 Job: 'test_Lewis_for_Proteins' started successfully -22: -22: -22: MOPAC Job: "Locate_TS.mop" ended normally on Mar 9, 2025, at 22:45. -22: - 13/124 Test #22: locate_ts ........................ Passed 2.35 sec -test 29 - Start 29: erratic-3 +50: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/INDO-dev" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "co_mrci.mop" +50: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/INDO-dev +50: Test timeout computed to be: 10000000 +45: +45: +45: MOPAC Job: "co_cisd_solv.mop" ended normally on Apr 13, 2026, at 07:11. +45: +12: +12: +12: MOPAC Job: "ADD-H_Bacteriorhodopsin_1AP9.mop" ended normally on Apr 13, 2026, at 07:11. +12: +46: +46: +46: MOPAC Job: "co_cisd_trip.mop" ended normally on Apr 13, 2026, at 07:11. +46: +31: WARNING: numerical mismatch between 2.918 on reference line 67 in /build/reproducible-path/mopac-23.1.2/tests/INDO-dev and 2.9179 on output line 67 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +31: WARNING: numerical mismatch between 2.918 on reference line 68 in /build/reproducible-path/mopac-23.1.2/tests/INDO-dev and 2.9179 on output line 68 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +31: WARNING: numerical mismatch between 2.918 on reference line 69 in /build/reproducible-path/mopac-23.1.2/tests/INDO-dev and 2.9179 on output line 69 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +47: +47: +47: MOPAC Job: "co_extern.mop" ended normally on Apr 13, 2026, at 07:11. +47: + 25/124 Test #45: co_cisd_solv ..................... Passed 0.22 sec +test 51 + Start 51: co_mrci_maxci -29: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "1.0" "erratic3.mop" -29: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests -29: Test timeout computed to be: 10000000 -24: -24: -24: MOPAC Job: "SALT.mop" ended normally on Mar 9, 2025, at 22:45. -24: - 14/124 Test #12: add-h ............................ Passed 4.15 sec -test 30 - Start 30: mopac-api-test +51: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/INDO-dev" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "co_mrci_maxci.mop" +51: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/INDO-dev +51: Test timeout computed to be: 10000000 + 26/124 Test #31: ag20 ............................. Passed 1.14 sec +test 52 + Start 52: co_mrci_solv -30: Test command: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac-api-test -30: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests -30: Test timeout computed to be: 10000000 -30: Passed API test 1 -30: Passed API test 2 - 15/124 Test #24: salt ............................. Passed 1.88 sec -test 31 - Start 31: ag20 +52: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/INDO-dev" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "co_mrci_solv.mop" +52: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/INDO-dev +52: Test timeout computed to be: 10000000 + 27/124 Test #46: co_cisd_trip ..................... Passed 0.20 sec +test 53 + Start 53: co_pm7 -31: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/INDO-dev" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "ag20.mop" -31: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/INDO-dev -31: Test timeout computed to be: 10000000 -30: Passed API test 3 - 16/124 Test #13: add-h2 ........................... Passed 4.23 sec -test 17 - Start 17: pdb_compare2 +53: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/INDO-dev" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "co_pm7.mop" +53: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/INDO-dev +53: Test timeout computed to be: 10000000 +48: FORCE is incompatible with INDO +48: +48: +48: MOPAC Job: "co_fail.mop" ended normally on Apr 13, 2026, at 07:11. +48: + 28/124 Test #47: co_extern ........................ Passed 0.21 sec +test 54 + Start 54: co_pm7_solv -17: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "Compare_PDB_Bacteriorhodopsin_1AP9_and_2AT9.mop" "Bacteriorhodopsin_2AT9.ent" -17: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests -17: Test timeout computed to be: 10000000 -30: Passed API test 4 -30: Passed API test 5 -30: Passed API test 6 +54: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/INDO-dev" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "co_pm7_solv.mop" +54: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/INDO-dev +54: Test timeout computed to be: 10000000 + 29/124 Test #48: co_fail .......................... Passed 0.18 sec +test 55 + Start 55: co_print + +55: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/INDO-dev" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "co_print.mop" +55: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/INDO-dev +55: Test timeout computed to be: 10000000 14: WARNING: numerical mismatch between -25.64788041 on reference line 2039 in /build/reproducible-path/mopac-23.1.2/tests and -25.90290178 on output line 2039 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac 14: WARNING: numerical mismatch between 4.10092057 on reference line 2039 in /build/reproducible-path/mopac-23.1.2/tests and 4.98654585 on output line 2039 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac 14: WARNING: numerical mismatch between -1.91380926 on reference line 2039 in /build/reproducible-path/mopac-23.1.2/tests and -3.20727348 on output line 2039 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac @@ -2111,7 +2365,6 @@ 14: WARNING: numerical mismatch between -8.81115641 on reference line 2824 in /build/reproducible-path/mopac-23.1.2/tests and -8.77307677 on output line 2824 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac 14: WARNING: numerical mismatch between 0.23374834 on reference line 2824 in /build/reproducible-path/mopac-23.1.2/tests and 0.24227501 on output line 2824 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac 14: WARNING: numerical mismatch between -12.37299479 on reference line 2824 in /build/reproducible-path/mopac-23.1.2/tests and -12.33845942 on output line 2824 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -30: Passed API test 7 14: WARNING: numerical mismatch between -9.07006428 on reference line 2826 in /build/reproducible-path/mopac-23.1.2/tests and -9.07109057 on output line 2826 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac 14: WARNING: numerical mismatch between 1.35238972 on reference line 2826 in /build/reproducible-path/mopac-23.1.2/tests and 1.35296182 on output line 2826 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac 14: WARNING: numerical mismatch between -1.29522842 on reference line 2826 in /build/reproducible-path/mopac-23.1.2/tests and -1.29602834 on output line 2826 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac @@ -2207,6 +2460,10 @@ 14: WARNING: numerical mismatch between -10.98094798 on reference line 2878 in /build/reproducible-path/mopac-23.1.2/tests and -11.3952771 on output line 2878 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac 14: WARNING: numerical mismatch between 1.79273272 on reference line 2878 in /build/reproducible-path/mopac-23.1.2/tests and 1.6779597 on output line 2878 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac 14: WARNING: numerical mismatch between -17.89287638 on reference line 2878 in /build/reproducible-path/mopac-23.1.2/tests and -18.63078676 on output line 2878 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +49: +49: +49: MOPAC Job: "co_field.mop" ended normally on Apr 13, 2026, at 07:11. +49: 14: WARNING: numerical mismatch between -12.17433054 on reference line 2880 in /build/reproducible-path/mopac-23.1.2/tests and -12.17578567 on output line 2880 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac 14: WARNING: numerical mismatch between 10.38895371 on reference line 2880 in /build/reproducible-path/mopac-23.1.2/tests and 10.38822921 on output line 2880 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac 14: WARNING: numerical mismatch between -3.02920522 on reference line 2880 in /build/reproducible-path/mopac-23.1.2/tests and -3.02879227 on output line 2880 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac @@ -2233,726 +2490,459 @@ 14: WARNING: numerical mismatch between -19.41629408 on reference line 2893 in /build/reproducible-path/mopac-23.1.2/tests and -19.4207389 on output line 2893 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac 14: WARNING: numerical mismatch between -8.6549534 on reference line 2893 in /build/reproducible-path/mopac-23.1.2/tests and -8.64182378 on output line 2893 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac 14: WARNING: numerical mismatch between -20.4878079 on reference line 2893 in /build/reproducible-path/mopac-23.1.2/tests and -20.49668802 on output line 2893 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -30: Passed API test 8 -30: Passed API test 9 - 17/124 Test #14: add-h3 ........................... Passed 2.81 sec -test 18 - Start 18: pdb_compare3 - -18: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "Compare_PDB_Bacteriorhodopsin_1AP9_and_1C3W.mop" "Bacteriorhodopsin_1C3W.ent" -18: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests -18: Test timeout computed to be: 10000000 -29: -29: -29: MOPAC Job: "erratic3.mop" ended normally on Mar 9, 2025, at 22:45. -29: -17: Sun Mar 9 22:45:04 2025 Job: 'Compare_PDB_Bacteriorhodopsin_1AP9_and_2AT9' started successfully - 18/124 Test #29: erratic-3 ........................ Passed 0.54 sec -test 19 - Start 19: pdb_compare4 - -19: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRX.mop" "Bacteriorhodopsin_1BRX.ent" -19: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests -19: Test timeout computed to be: 10000000 -18: Sun Mar 9 22:45:04 2025 Job: 'Compare_PDB_Bacteriorhodopsin_1AP9_and_1C3W' started successfully -19: Sun Mar 9 22:45:04 2025 Job: 'Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRX' started successfully -26: -26: -26: MOPAC Job: "SITE_Individual_residues.mop" ended normally on Mar 9, 2025, at 22:45. -26: - 19/124 Test #26: residues ......................... Passed 3.05 sec -test 20 - Start 20: pdb_compare5 - -20: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRR.mop" "Bacteriorhodopsin_1BRR.ent" -20: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests -20: Test timeout computed to be: 10000000 -20: Sun Mar 9 22:45:05 2025 Job: 'Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRR' started successfully -31: -31: -31: MOPAC Job: "ag20.mop" ended normally on Mar 9, 2025, at 22:45. -31: -31: WARNING: numerical mismatch between 2.918 on reference line 67 in /build/reproducible-path/mopac-23.1.2/tests/INDO-dev and 2.9179 on output line 67 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -31: WARNING: numerical mismatch between 2.918 on reference line 68 in /build/reproducible-path/mopac-23.1.2/tests/INDO-dev and 2.9179 on output line 68 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -31: WARNING: numerical mismatch between 2.918 on reference line 69 in /build/reproducible-path/mopac-23.1.2/tests/INDO-dev and 2.9179 on output line 69 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac - 20/124 Test #31: ag20 ............................. Passed 2.04 sec -test 21 - Start 21: pdb_compare6 - -21: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "Compare_PDB_Bacteriorhodopsin_1AP9_and_1AT9.mop" -21: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests -21: Test timeout computed to be: 10000000 -21: Sun Mar 9 22:45:06 2025 Job: 'Compare_PDB_Bacteriorhodopsin_1AP9_and_1AT9' started successfully -19: -19: -19: MOPAC Job: "Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRX.mop" ended normally on Mar 9, 2025, at 22:45. -19: - 21/124 Test #19: pdb_compare4 ..................... Passed 4.22 sec -test 32 - Start 32: ag20_cis_active - -32: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/INDO-dev" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "ag20_cis_active.mop" -32: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/INDO-dev -32: Test timeout computed to be: 10000000 -18: -18: -18: MOPAC Job: "Compare_PDB_Bacteriorhodopsin_1AP9_and_1C3W.mop" ended normally on Mar 9, 2025, at 22:45. -18: -17: -17: -17: MOPAC Job: "Compare_PDB_Bacteriorhodopsin_1AP9_and_2AT9.mop" ended normally on Mar 9, 2025, at 22:45. -17: - 22/124 Test #18: pdb_compare3 ..................... Passed 4.85 sec -test 33 - Start 33: benzene - -33: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/INDO-dev" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "benzene.mop" -33: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/INDO-dev -33: Test timeout computed to be: 10000000 - 23/124 Test #17: pdb_compare2 ..................... Passed 5.20 sec -test 34 - Start 34: co_cas - -34: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/INDO-dev" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "co_cas.mop" -34: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/INDO-dev -34: Test timeout computed to be: 10000000 -34: -34: -34: MOPAC Job: "co_cas.mop" ended normally on Mar 9, 2025, at 22:45. -34: - 24/124 Test #34: co_cas ........................... Passed 0.52 sec -test 35 - Start 35: co_cis - -35: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/INDO-dev" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "co_cis.mop" -35: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/INDO-dev -35: Test timeout computed to be: 10000000 -33: -33: -33: MOPAC Job: "benzene.mop" ended normally on Mar 9, 2025, at 22:45. -33: - 25/124 Test #33: benzene .......................... Passed 1.05 sec -test 36 - Start 36: co_cis_2 - -36: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/INDO-dev" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "co_cis_2.mop" -36: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/INDO-dev -36: Test timeout computed to be: 10000000 -35: -35: -35: MOPAC Job: "co_cis.mop" ended normally on Mar 9, 2025, at 22:45. -35: - 26/124 Test #35: co_cis ........................... Passed 0.50 sec -test 37 - Start 37: co_cis_PM7 - -37: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/INDO-dev" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "co_cis_PM7.mop" -37: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/INDO-dev -37: Test timeout computed to be: 10000000 -36: -36: -36: MOPAC Job: "co_cis_2.mop" ended normally on Mar 9, 2025, at 22:45. -36: -20: -20: -20: MOPAC Job: "Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRR.mop" ended normally on Mar 9, 2025, at 22:45. -20: - 27/124 Test #36: co_cis_2 ......................... Passed 0.56 sec -test 38 - Start 38: co_cis_active - -38: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/INDO-dev" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "co_cis_active.mop" -38: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/INDO-dev -38: Test timeout computed to be: 10000000 -37: -37: -37: MOPAC Job: "co_cis_PM7.mop" ended normally on Mar 9, 2025, at 22:45. -37: -37: WARNING: numerical heat mismatch between -16.98521 on reference line 70 in /build/reproducible-path/mopac-23.1.2/tests/INDO-dev and -16.98542 on output line 70 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -37: WARNING: numerical mismatch between -71.06612 on reference line 70 in /build/reproducible-path/mopac-23.1.2/tests/INDO-dev and -71.06698 on output line 70 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac - 28/124 Test #37: co_cis_PM7 ....................... Passed 0.44 sec -test 39 - Start 39: co_cis_solv - -39: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/INDO-dev" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "co_cis_solv.mop" -39: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/INDO-dev -39: Test timeout computed to be: 10000000 - 29/124 Test #20: pdb_compare5 ..................... Passed 5.65 sec -test 40 - Start 40: co_cis_tdip - -40: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/INDO-dev" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "co_cis_tdip.mop" -40: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/INDO-dev -40: Test timeout computed to be: 10000000 -40: -40: -40: MOPAC Job: "co_cis_tdip.mop" ended normally on Mar 9, 2025, at 22:45. -40: - 30/124 Test #40: co_cis_tdip ...................... Passed 0.28 sec -test 41 - Start 41: co_cis_trip - -41: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/INDO-dev" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "co_cis_trip.mop" -41: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/INDO-dev -41: Test timeout computed to be: 10000000 -39: -39: -39: MOPAC Job: "co_cis_solv.mop" ended normally on Mar 9, 2025, at 22:45. -39: -38: -38: -38: MOPAC Job: "co_cis_active.mop" ended normally on Mar 9, 2025, at 22:45. -38: - 31/124 Test #39: co_cis_solv ...................... Passed 0.51 sec -test 42 - Start 42: co_cis_wrtconf - -42: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/INDO-dev" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "co_cis_wrtconf.mop" -42: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/INDO-dev -42: Test timeout computed to be: 10000000 - 32/124 Test #38: co_cis_active .................... Passed 0.62 sec -test 43 - Start 43: co_cisd - -43: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/INDO-dev" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "co_cisd.mop" -43: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/INDO-dev -43: Test timeout computed to be: 10000000 -41: -41: -41: MOPAC Job: "co_cis_trip.mop" ended normally on Mar 9, 2025, at 22:45. -41: - 33/124 Test #41: co_cis_trip ...................... Passed 0.23 sec -test 44 - Start 44: co_cisd_quin - -44: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/INDO-dev" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "co_cisd_quin.mop" -44: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/INDO-dev -44: Test timeout computed to be: 10000000 -42: -42: -42: MOPAC Job: "co_cis_wrtconf.mop" ended normally on Mar 9, 2025, at 22:45. -42: - 34/124 Test #42: co_cis_wrtconf ................... Passed 0.34 sec -test 45 - Start 45: co_cisd_solv - -45: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/INDO-dev" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "co_cisd_solv.mop" -45: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/INDO-dev -45: Test timeout computed to be: 10000000 -44: Spin is incompatible with INDO -44: -44: -44: MOPAC Job: "co_cisd_quin.mop" ended normally on Mar 9, 2025, at 22:45. -44: - 35/124 Test #44: co_cisd_quin ..................... Passed 0.51 sec -test 46 - Start 46: co_cisd_trip - -46: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/INDO-dev" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "co_cisd_trip.mop" -46: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/INDO-dev -46: Test timeout computed to be: 10000000 -43: -43: -43: MOPAC Job: "co_cisd.mop" ended normally on Mar 9, 2025, at 22:45. -43: - 36/124 Test #43: co_cisd .......................... Passed 0.75 sec -test 47 - Start 47: co_extern - -47: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/INDO-dev" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "co_extern.mop" "param.txt" -47: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/INDO-dev -47: Test timeout computed to be: 10000000 -45: -45: -45: MOPAC Job: "co_cisd_solv.mop" ended normally on Mar 9, 2025, at 22:45. -45: - 37/124 Test #45: co_cisd_solv ..................... Passed 0.59 sec -test 48 - Start 48: co_fail - -48: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/INDO-dev" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "co_fail.mop" -48: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/INDO-dev -48: Test timeout computed to be: 10000000 -46: -46: -46: MOPAC Job: "co_cisd_trip.mop" ended normally on Mar 9, 2025, at 22:45. -46: - 38/124 Test #46: co_cisd_trip ..................... Passed 0.43 sec -test 49 - Start 49: co_field - -49: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/INDO-dev" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "co_field.mop" -49: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/INDO-dev -49: Test timeout computed to be: 10000000 -47: -47: -47: MOPAC Job: "co_extern.mop" ended normally on Mar 9, 2025, at 22:45. -47: -49: -49: -49: MOPAC Job: "co_field.mop" ended normally on Mar 9, 2025, at 22:45. -49: - 39/124 Test #47: co_extern ........................ Passed 0.57 sec -test 50 - Start 50: co_mrci - -50: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/INDO-dev" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "co_mrci.mop" -50: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/INDO-dev -50: Test timeout computed to be: 10000000 - 40/124 Test #49: co_field ......................... Passed 0.34 sec -test 51 - Start 51: co_mrci_maxci - -51: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/INDO-dev" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "co_mrci_maxci.mop" -51: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/INDO-dev -51: Test timeout computed to be: 10000000 -48: FORCE is incompatible with INDO -48: -48: -48: MOPAC Job: "co_fail.mop" ended normally on Mar 9, 2025, at 22:45. -48: - 41/124 Test #48: co_fail .......................... Passed 0.60 sec -test 52 - Start 52: co_mrci_solv - -52: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/INDO-dev" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "co_mrci_solv.mop" -52: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/INDO-dev -52: Test timeout computed to be: 10000000 -51: -51: -51: MOPAC Job: "co_mrci_maxci.mop" ended normally on Mar 9, 2025, at 22:45. -51: -50: -50: -50: MOPAC Job: "co_mrci.mop" ended normally on Mar 9, 2025, at 22:45. -50: - 42/124 Test #51: co_mrci_maxci .................... Passed 0.35 sec -test 53 - Start 53: co_pm7 - -53: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/INDO-dev" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "co_pm7.mop" -53: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/INDO-dev -53: Test timeout computed to be: 10000000 - 43/124 Test #50: co_mrci .......................... Passed 0.43 sec -test 54 - Start 54: co_pm7_solv - -54: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/INDO-dev" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "co_pm7_solv.mop" -54: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/INDO-dev -54: Test timeout computed to be: 10000000 -52: -52: -52: MOPAC Job: "co_mrci_solv.mop" ended normally on Mar 9, 2025, at 22:45. -52: - 44/124 Test #52: co_mrci_solv ..................... Passed 0.86 sec -test 55 - Start 55: co_print - -55: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/INDO-dev" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "co_print.mop" -55: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/INDO-dev -55: Test timeout computed to be: 10000000 -53: -53: -53: MOPAC Job: "co_pm7.mop" ended normally on Mar 9, 2025, at 22:45. -53: -53: WARNING: numerical heat mismatch between -16.98521 on reference line 68 in /build/reproducible-path/mopac-23.1.2/tests/INDO-dev and -16.98542 on output line 68 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -53: WARNING: numerical mismatch between -71.06612 on reference line 68 in /build/reproducible-path/mopac-23.1.2/tests/INDO-dev and -71.06698 on output line 68 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac - 45/124 Test #53: co_pm7 ........................... Passed 0.71 sec +24: Mon Apr 13 07:11:34 2026 Job: 'SALT' started successfully +15: +15: +15: MOPAC Job: "Compare_ADD-H_1EJG_and_1CBN.mop" ended normally on Apr 13, 2026, at 07:11. +15: + 30/124 Test #14: add-h3 ........................... Passed 1.47 sec test 56 Start 56: no_cis_quar 56: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/INDO-dev" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "no_cis_quar.mop" 56: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/INDO-dev 56: Test timeout computed to be: 10000000 -54: -54: -54: MOPAC Job: "co_pm7_solv.mop" ended normally on Mar 9, 2025, at 22:45. -54: -54: WARNING: numerical heat mismatch between -19.6414 on reference line 69 in /build/reproducible-path/mopac-23.1.2/tests/INDO-dev and -19.64161 on output line 69 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -54: WARNING: numerical mismatch between -82.17963 on reference line 69 in /build/reproducible-path/mopac-23.1.2/tests/INDO-dev and -82.1805 on output line 69 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac - 46/124 Test #54: co_pm7_solv ...................... Passed 0.78 sec + 31/124 Test #49: co_field ......................... Passed 0.20 sec test 57 Start 57: no_mrci 57: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/INDO-dev" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "no_mrci.mop" 57: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/INDO-dev 57: Test timeout computed to be: 10000000 -55: WARNING: Specified print options may not behave as expected with INDO -55: -55: -55: MOPAC Job: "co_print.mop" ended normally on Mar 9, 2025, at 22:45. -55: - 47/124 Test #55: co_print ......................... Passed 0.69 sec +50: +50: +50: MOPAC Job: "co_mrci.mop" ended normally on Apr 13, 2026, at 07:11. +50: + 32/124 Test #15: compare_add-h .................... Passed 0.52 sec test 58 Start 58: noparam 58: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/INDO-dev" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "noparam.mop" 58: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/INDO-dev 58: Test timeout computed to be: 10000000 -57: -57: -57: MOPAC Job: "no_mrci.mop" ended normally on Mar 9, 2025, at 22:45. -57: -56: -56: -56: MOPAC Job: "no_cis_quar.mop" ended normally on Mar 9, 2025, at 22:45. -56: - 48/124 Test #57: no_mrci .......................... Passed 0.71 sec +53: +53: +53: MOPAC Job: "co_pm7.mop" ended normally on Apr 13, 2026, at 07:11. +53: +53: WARNING: numerical heat mismatch between -16.98521 on reference line 68 in /build/reproducible-path/mopac-23.1.2/tests/INDO-dev and -16.98542 on output line 68 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +53: WARNING: numerical mismatch between -71.06612 on reference line 68 in /build/reproducible-path/mopac-23.1.2/tests/INDO-dev and -71.06698 on output line 68 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac + 33/124 Test #50: co_mrci .......................... Passed 0.25 sec test 59 Start 59: poly_c8 59: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/INDO-dev" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "poly_c8.mop" 59: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/INDO-dev 59: Test timeout computed to be: 10000000 - 49/124 Test #56: no_cis_quar ...................... Passed 0.85 sec +54: +54: +54: MOPAC Job: "co_pm7_solv.mop" ended normally on Apr 13, 2026, at 07:11. +54: +51: +51: +51: MOPAC Job: "co_mrci_maxci.mop" ended normally on Apr 13, 2026, at 07:11. +51: +16: +16: +16: MOPAC Job: "Compare_PDB_1EJG_and_1CBN.mop" ended normally on Apr 13, 2026, at 07:11. +16: +54: WARNING: numerical heat mismatch between -19.6414 on reference line 69 in /build/reproducible-path/mopac-23.1.2/tests/INDO-dev and -19.64161 on output line 69 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +54: WARNING: numerical mismatch between -82.17963 on reference line 69 in /build/reproducible-path/mopac-23.1.2/tests/INDO-dev and -82.1805 on output line 69 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +55: WARNING: Specified print options may not behave as expected with INDO + 34/124 Test #53: co_pm7 ........................... Passed 0.19 sec test 60 Start 60: poly_c8_mr 60: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/INDO-dev" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "poly_c8_mr.mop" 60: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/INDO-dev 60: Test timeout computed to be: 10000000 -58: -58: -58: MOPAC Job: "noparam.mop" ended normally on Mar 9, 2025, at 22:45. -58: - 50/124 Test #58: noparam .......................... Passed 0.50 sec +55: +55: +55: MOPAC Job: "co_print.mop" ended normally on Apr 13, 2026, at 07:11. +55: + 35/124 Test #54: co_pm7_solv ...................... Passed 0.19 sec test 61 Start 61: key-ampersand 61: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/keywords" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "ampersand.mop" 61: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/keywords 61: Test timeout computed to be: 10000000 -61: -61: -61: MOPAC Job: "ampersand.mop" ended normally on Mar 9, 2025, at 22:45. -61: -61: WARNING: numerical heat mismatch between -77.16706 on reference line 70 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -77.16737 on output line 70 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -61: WARNING: numerical mismatch between -322.86699 on reference line 70 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -322.86826 on output line 70 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -61: WARNING: numerical heat mismatch between -77.16706 on reference line 211 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -77.16737 on output line 211 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -61: WARNING: numerical mismatch between -322.86699 on reference line 211 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -322.86826 on output line 211 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -61: WARNING: numerical heat mismatch between -77.16706 on reference line 352 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -77.16737 on output line 352 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -61: WARNING: numerical mismatch between -322.86699 on reference line 352 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -322.86826 on output line 352 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac - 51/124 Test #61: key-ampersand .................... Passed 0.65 sec +52: +52: +52: MOPAC Job: "co_mrci_solv.mop" ended normally on Apr 13, 2026, at 07:11. +52: + 36/124 Test #51: co_mrci_maxci .................... Passed 0.24 sec test 62 Start 62: key-plus 62: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/keywords" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "plus.mop" 62: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/keywords 62: Test timeout computed to be: 10000000 -62: -62: -62: MOPAC Job: "plus.mop" ended normally on Mar 9, 2025, at 22:45. -62: -62: WARNING: numerical heat mismatch between -77.16706 on reference line 70 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -77.16737 on output line 70 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -62: WARNING: numerical mismatch between -322.86699 on reference line 70 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -322.86826 on output line 70 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -62: WARNING: numerical heat mismatch between -77.16706 on reference line 211 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -77.16737 on output line 211 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -62: WARNING: numerical mismatch between -322.86699 on reference line 211 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -322.86826 on output line 211 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -62: WARNING: numerical heat mismatch between -77.16706 on reference line 353 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -77.16737 on output line 353 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -62: WARNING: numerical mismatch between -322.86699 on reference line 353 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -322.86826 on output line 353 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac - 52/124 Test #62: key-plus ......................... Passed 0.42 sec + 37/124 Test #16: pdb_compare ...................... Passed 0.60 sec test 63 Start 63: key-plusplus 63: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/keywords" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "plusplus.mop" 63: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/keywords 63: Test timeout computed to be: 10000000 -63: -63: -63: MOPAC Job: "plusplus.mop" ended normally on Mar 9, 2025, at 22:45. -63: -63: WARNING: numerical heat mismatch between -77.16706 on reference line 70 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -77.16737 on output line 70 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -63: WARNING: numerical mismatch between -322.86699 on reference line 70 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -322.86826 on output line 70 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -63: WARNING: numerical heat mismatch between -77.16706 on reference line 210 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -77.16737 on output line 210 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -63: WARNING: numerical mismatch between -322.86699 on reference line 210 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -322.86826 on output line 210 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -63: WARNING: numerical heat mismatch between -77.16706 on reference line 350 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -77.16737 on output line 350 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -63: WARNING: numerical mismatch between -322.86699 on reference line 350 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -322.86826 on output line 350 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac - 53/124 Test #63: key-plusplus ..................... Passed 0.79 sec +26: Mon Apr 13 07:11:35 2026 Job: 'SITE_Individual_residues' started successfully + 38/124 Test #55: co_print ......................... Passed 0.22 sec test 64 Start 64: key-0SCF 64: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/keywords" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "0SCF.mop" 64: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/keywords 64: Test timeout computed to be: 10000000 -64: -64: -64: MOPAC Job: "0SCF.mop" ended normally on Mar 9, 2025, at 22:45. -64: -64: WARNING: numerical heat mismatch between -77.16706 on reference line 69 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -77.16737 on output line 69 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -64: WARNING: numerical mismatch between -322.86699 on reference line 69 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -322.86826 on output line 69 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -64: WARNING: numerical heat mismatch between -77.16706 on reference line 264 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -77.16737 on output line 264 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -64: WARNING: numerical mismatch between -322.86699 on reference line 264 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -322.86826 on output line 264 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac - 54/124 Test #64: key-0SCF ......................... Passed 0.60 sec + 39/124 Test #52: co_mrci_solv ..................... Passed 0.28 sec test 65 Start 65: key-1ELECTRON 65: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/keywords" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "1ELECTRON.mop" 65: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/keywords 65: Test timeout computed to be: 10000000 -65: -65: -65: MOPAC Job: "1ELECTRON.mop" ended normally on Mar 9, 2025, at 22:45. -65: -65: WARNING: numerical heat mismatch between -84.51541 on reference line 81 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -84.51572 on output line 81 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -65: WARNING: numerical mismatch between -353.61248 on reference line 81 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -353.61376 on output line 81 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -65: WARNING: numerical heat mismatch between -84.51541 on reference line 234 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -84.51572 on output line 234 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -65: WARNING: numerical mismatch between -353.61248 on reference line 234 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -353.61376 on output line 234 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac - 55/124 Test #65: key-1ELECTRON .................... Passed 0.57 sec +56: +56: +56: MOPAC Job: "no_cis_quar.mop" ended normally on Apr 13, 2026, at 07:11. +56: +58: +58: +58: MOPAC Job: "noparam.mop" ended normally on Apr 13, 2026, at 07:11. +58: + 40/124 Test #56: no_cis_quar ...................... Passed 0.21 sec test 66 Start 66: key-1SCF 66: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/keywords" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "1SCF.mop" 66: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/keywords 66: Test timeout computed to be: 10000000 -66: -66: -66: MOPAC Job: "1SCF.mop" ended normally on Mar 9, 2025, at 22:45. -66: -66: WARNING: numerical heat mismatch between -84.34612 on reference line 70 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -84.34643 on output line 70 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -66: WARNING: numerical mismatch between -352.90418 on reference line 70 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -352.90546 on output line 70 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac - 56/124 Test #66: key-1SCF ......................... Passed 0.50 sec + 41/124 Test #58: noparam .......................... Passed 0.18 sec test 67 Start 67: key-A0 67: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/keywords" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "A0.mop" 67: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/keywords 67: Test timeout computed to be: 10000000 -67: -67: -67: MOPAC Job: "A0.mop" ended normally on Mar 9, 2025, at 22:45. -67: -67: WARNING: numerical heat mismatch between -84.51541 on reference line 82 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -84.51571 on output line 82 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -67: WARNING: numerical mismatch between -353.61246 on reference line 82 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -353.61374 on output line 82 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac - 57/124 Test #67: key-A0 ........................... Passed 0.73 sec +3: Mon Apr 13 07:11:35 2026 Job: 'test_Lewis_for_Proteins' started successfully +61: +61: +61: MOPAC Job: "ampersand.mop" ended normally on Apr 13, 2026, at 07:11. +61: + 42/124 Test #13: add-h2 ........................... Passed 1.78 sec test 68 Start 68: key-AIGIN 68: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/keywords" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "AIGIN.mop" 68: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/keywords 68: Test timeout computed to be: 10000000 -68: -68: -68: MOPAC Job: "AIGIN.mop" ended normally on Mar 9, 2025, at 22:45. -68: -68: WARNING: numerical heat mismatch between -18.19788 on reference line 106 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -18.19844 on output line 106 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -68: WARNING: numerical mismatch between -76.13994 on reference line 106 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -76.14227 on output line 106 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac - 58/124 Test #68: key-AIGIN ........................ Passed 0.56 sec +62: +62: +62: MOPAC Job: "plus.mop" ended normally on Apr 13, 2026, at 07:11. +62: +63: +63: +63: MOPAC Job: "plusplus.mop" ended normally on Apr 13, 2026, at 07:11. +63: +57: +57: +57: MOPAC Job: "no_mrci.mop" ended normally on Apr 13, 2026, at 07:11. +57: +61: WARNING: numerical heat mismatch between -77.16706 on reference line 70 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -77.16737 on output line 70 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +61: WARNING: numerical mismatch between -322.86699 on reference line 70 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -322.86826 on output line 70 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +61: WARNING: numerical heat mismatch between -77.16706 on reference line 211 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -77.16737 on output line 211 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +61: WARNING: numerical mismatch between -322.86699 on reference line 211 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -322.86826 on output line 211 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +61: WARNING: numerical heat mismatch between -77.16706 on reference line 352 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -77.16737 on output line 352 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +61: WARNING: numerical mismatch between -322.86699 on reference line 352 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -322.86826 on output line 352 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +62: WARNING: numerical heat mismatch between -77.16706 on reference line 70 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -77.16737 on output line 70 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +62: WARNING: numerical mismatch between -322.86699 on reference line 70 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -322.86826 on output line 70 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +62: WARNING: numerical heat mismatch between -77.16706 on reference line 211 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -77.16737 on output line 211 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +62: WARNING: numerical mismatch between -322.86699 on reference line 211 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -322.86826 on output line 211 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +62: WARNING: numerical heat mismatch between -77.16706 on reference line 353 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -77.16737 on output line 353 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +62: WARNING: numerical mismatch between -322.86699 on reference line 353 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -322.86826 on output line 353 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +63: WARNING: numerical heat mismatch between -77.16706 on reference line 70 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -77.16737 on output line 70 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +63: WARNING: numerical mismatch between -322.86699 on reference line 70 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -322.86826 on output line 70 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +63: WARNING: numerical heat mismatch between -77.16706 on reference line 210 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -77.16737 on output line 210 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +63: WARNING: numerical mismatch between -322.86699 on reference line 210 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -322.86826 on output line 210 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +63: WARNING: numerical heat mismatch between -77.16706 on reference line 350 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -77.16737 on output line 350 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +63: WARNING: numerical mismatch between -322.86699 on reference line 350 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -322.86826 on output line 350 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac + 43/124 Test #61: key-ampersand .................... Passed 0.24 sec test 69 Start 69: key-AIGOUT 69: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/keywords" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "AIGOUT.mop" 69: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/keywords 69: Test timeout computed to be: 10000000 -69: -69: -69: MOPAC Job: "AIGOUT.mop" ended normally on Mar 9, 2025, at 22:45. -69: -69: WARNING: numerical heat mismatch between -18.19788 on reference line 86 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -18.19844 on output line 86 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -69: WARNING: numerical mismatch between -76.13994 on reference line 86 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -76.14227 on output line 86 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac - 59/124 Test #69: key-AIGOUT ....................... Passed 0.53 sec +65: +65: +65: MOPAC Job: "1ELECTRON.mop" ended normally on Apr 13, 2026, at 07:11. +65: +64: +64: +64: MOPAC Job: "0SCF.mop" ended normally on Apr 13, 2026, at 07:11. +64: + 44/124 Test #62: key-plus ......................... Passed 0.24 sec + 45/124 Test #63: key-plusplus ..................... Passed 0.23 sec test 70 Start 70: key-ALLBONDS 70: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/keywords" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "ALLBONDS.mop" 70: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/keywords 70: Test timeout computed to be: 10000000 -70: -70: -70: MOPAC Job: "ALLBONDS.mop" ended normally on Mar 9, 2025, at 22:45. -70: -70: WARNING: numerical heat mismatch between -18.19689 on reference line 86 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -18.19745 on output line 86 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -70: WARNING: numerical mismatch between -76.13581 on reference line 86 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -76.13814 on output line 86 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -70: WARNING: numerical heat mismatch between -18.19689 on reference line 252 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -18.19745 on output line 252 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -70: WARNING: numerical mismatch between -76.13581 on reference line 252 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -76.13814 on output line 252 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -70: WARNING: numerical heat mismatch between -18.19689 on reference line 426 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -18.19745 on output line 426 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -70: WARNING: numerical mismatch between -76.13581 on reference line 426 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -76.13814 on output line 426 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac - 60/124 Test #70: key-ALLBONDS ..................... Passed 0.75 sec test 71 Start 71: key-ALLVEC 71: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/keywords" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "ALLVEC.mop" 71: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/keywords 71: Test timeout computed to be: 10000000 -59: -59: -59: MOPAC Job: "poly_c8.mop" ended normally on Mar 9, 2025, at 22:45. -59: -71: -71: -71: MOPAC Job: "ALLVEC.mop" ended normally on Mar 9, 2025, at 22:45. -71: -71: WARNING: numerical heat mismatch between -18.19788 on reference line 85 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -18.19844 on output line 85 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -71: WARNING: numerical mismatch between -76.13994 on reference line 85 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -76.14227 on output line 85 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -71: WARNING: numerical heat mismatch between -18.19788 on reference line 262 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -18.19844 on output line 262 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -71: WARNING: numerical mismatch between -76.13994 on reference line 262 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -76.14227 on output line 262 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac - 61/124 Test #71: key-ALLVEC ....................... Passed 0.68 sec +64: WARNING: numerical heat mismatch between -77.16706 on reference line 69 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -77.16737 on output line 69 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +64: WARNING: numerical mismatch between -322.86699 on reference line 69 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -322.86826 on output line 69 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +64: WARNING: numerical heat mismatch between -77.16706 on reference line 264 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -77.16737 on output line 264 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +64: WARNING: numerical mismatch between -322.86699 on reference line 264 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -322.86826 on output line 264 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +65: WARNING: numerical heat mismatch between -84.51541 on reference line 81 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -84.51572 on output line 81 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +65: WARNING: numerical mismatch between -353.61248 on reference line 81 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -353.61376 on output line 81 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +65: WARNING: numerical heat mismatch between -84.51541 on reference line 234 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -84.51572 on output line 234 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +65: WARNING: numerical mismatch between -353.61248 on reference line 234 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -353.61376 on output line 234 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac + 46/124 Test #57: no_mrci .......................... Passed 0.37 sec test 72 Start 72: key-AM1 72: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/keywords" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "AM1.mop" 72: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/keywords 72: Test timeout computed to be: 10000000 - 62/124 Test #59: poly_c8 .......................... Passed 7.19 sec +66: +66: +66: MOPAC Job: "1SCF.mop" ended normally on Apr 13, 2026, at 07:11. +66: + 47/124 Test #64: key-0SCF ......................... Passed 0.25 sec test 73 Start 73: key-ANGSTROMS 73: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/keywords" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "ANGSTROMS.mop" 73: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/keywords 73: Test timeout computed to be: 10000000 -72: -72: -72: MOPAC Job: "AM1.mop" ended normally on Mar 9, 2025, at 22:45. -72: -72: WARNING: numerical heat mismatch between -79.8614 on reference line 81 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -79.86171 on output line 81 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -72: WARNING: numerical mismatch between -334.1401 on reference line 81 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -334.14139 on output line 81 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac - 63/124 Test #72: key-AM1 .......................... Passed 0.54 sec + 48/124 Test #65: key-1ELECTRON .................... Passed 0.23 sec test 74 Start 74: key-AUTOSYM 74: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/keywords" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "AUTOSYM.mop" 74: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/keywords 74: Test timeout computed to be: 10000000 -73: -73: -73: MOPAC Job: "ANGSTROMS.mop" ended normally on Mar 9, 2025, at 22:45. -73: -73: WARNING: numerical heat mismatch between -84.51541 on reference line 82 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -84.51572 on output line 82 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -73: WARNING: numerical mismatch between -353.61248 on reference line 82 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -353.61376 on output line 82 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac - 64/124 Test #73: key-ANGSTROMS .................... Passed 0.60 sec +67: +67: +67: MOPAC Job: "A0.mop" ended normally on Apr 13, 2026, at 07:11. +67: +66: WARNING: numerical heat mismatch between -84.34612 on reference line 70 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -84.34643 on output line 70 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +66: WARNING: numerical mismatch between -352.90418 on reference line 70 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -352.90546 on output line 70 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +67: WARNING: numerical heat mismatch between -84.51541 on reference line 82 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -84.51571 on output line 82 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +67: WARNING: numerical mismatch between -353.61246 on reference line 82 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -353.61374 on output line 82 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac + 49/124 Test #66: key-1SCF ......................... Passed 0.22 sec test 75 Start 75: key-BIRADICAL 75: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/keywords" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "BIRADICAL.mop" 75: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/keywords 75: Test timeout computed to be: 10000000 -74: -74: -74: MOPAC Job: "AUTOSYM.mop" ended normally on Mar 9, 2025, at 22:45. -74: -74: WARNING: numerical heat mismatch between 22.9565 on reference line 102 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 22.95541 on output line 102 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -74: WARNING: numerical mismatch between 96.05001 on reference line 102 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 96.04545 on output line 102 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac - 65/124 Test #74: key-AUTOSYM ...................... Passed 0.69 sec + 50/124 Test #67: key-A0 ........................... Passed 0.22 sec test 76 Start 76: key-CdotAdotSdot 76: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/keywords" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "CdotAdotSdot.mop" 76: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/keywords 76: Test timeout computed to be: 10000000 -75: -75: -75: MOPAC Job: "BIRADICAL.mop" ended normally on Mar 9, 2025, at 22:45. -75: -75: WARNING: numerical heat mismatch between 86.55356 on reference line 118 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 86.55281 on output line 118 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -75: WARNING: numerical mismatch between 362.14011 on reference line 118 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 362.13696 on output line 118 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -75: WARNING: numerical heat mismatch between 86.55356 on reference line 334 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 86.55281 on output line 334 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -75: WARNING: numerical mismatch between 362.14011 on reference line 334 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 362.13696 on output line 334 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac - 66/124 Test #75: key-BIRADICAL .................... Passed 2.35 sec +68: +68: +68: MOPAC Job: "AIGIN.mop" ended normally on Apr 13, 2026, at 07:11. +68: +68: WARNING: numerical heat mismatch between -18.19788 on reference line 106 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -18.19844 on output line 106 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +68: WARNING: numerical mismatch between -76.13994 on reference line 106 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -76.14227 on output line 106 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac + 51/124 Test #68: key-AIGIN ........................ Passed 0.22 sec test 77 Start 77: key-CdotIdot 77: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/keywords" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "CdotIdot.mop" 77: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/keywords 77: Test timeout computed to be: 10000000 -32: -32: -32: MOPAC Job: "ag20_cis_active.mop" ended normally on Mar 9, 2025, at 22:45. -32: -32: WARNING: numerical mismatch between 2.918 on reference line 69 in /build/reproducible-path/mopac-23.1.2/tests/INDO-dev and 2.9179 on output line 69 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -32: WARNING: numerical mismatch between 2.918 on reference line 70 in /build/reproducible-path/mopac-23.1.2/tests/INDO-dev and 2.9179 on output line 70 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -32: WARNING: numerical mismatch between 2.918 on reference line 71 in /build/reproducible-path/mopac-23.1.2/tests/INDO-dev and 2.9179 on output line 71 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac - 67/124 Test #32: ag20_cis_active .................. Passed 16.63 sec +69: +69: +69: MOPAC Job: "AIGOUT.mop" ended normally on Apr 13, 2026, at 07:11. +69: + 52/124 Test #12: add-h ............................ Passed 2.01 sec +test 17 + Start 17: pdb_compare2 + +17: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "Compare_PDB_Bacteriorhodopsin_1AP9_and_2AT9.mop" "Bacteriorhodopsin_2AT9.ent" +17: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests +17: Test timeout computed to be: 10000000 +69: WARNING: numerical heat mismatch between -18.19788 on reference line 86 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -18.19844 on output line 86 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +69: WARNING: numerical mismatch between -76.13994 on reference line 86 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -76.14227 on output line 86 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +70: +70: +70: MOPAC Job: "ALLBONDS.mop" ended normally on Apr 13, 2026, at 07:11. +70: +24: +24: +24: MOPAC Job: "SALT.mop" ended normally on Apr 13, 2026, at 07:11. +24: +71: +71: +71: MOPAC Job: "ALLVEC.mop" ended normally on Apr 13, 2026, at 07:11. +71: +73: +73: +73: MOPAC Job: "ANGSTROMS.mop" ended normally on Apr 13, 2026, at 07:11. +73: + 53/124 Test #69: key-AIGOUT ....................... Passed 0.22 sec +test 18 + Start 18: pdb_compare3 + +18: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "Compare_PDB_Bacteriorhodopsin_1AP9_and_1C3W.mop" "Bacteriorhodopsin_1C3W.ent" +18: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests +18: Test timeout computed to be: 10000000 +72: +72: +72: MOPAC Job: "AM1.mop" ended normally on Apr 13, 2026, at 07:11. +72: +73: WARNING: numerical heat mismatch between -84.51541 on reference line 82 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -84.51572 on output line 82 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +73: WARNING: numerical mismatch between -353.61248 on reference line 82 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -353.61376 on output line 82 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +72: WARNING: numerical heat mismatch between -79.8614 on reference line 81 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -79.86171 on output line 81 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +72: WARNING: numerical mismatch between -334.1401 on reference line 81 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -334.14139 on output line 81 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac + 54/124 Test #24: salt ............................. Passed 0.84 sec + 55/124 Test #73: key-ANGSTROMS .................... Passed 0.20 sec +test 19 + Start 19: pdb_compare4 + +19: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRX.mop" "Bacteriorhodopsin_1BRX.ent" +19: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests +19: Test timeout computed to be: 10000000 +test 20 + Start 20: pdb_compare5 + +20: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRR.mop" "Bacteriorhodopsin_1BRR.ent" +20: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests +20: Test timeout computed to be: 10000000 +70: WARNING: numerical heat mismatch between -18.19689 on reference line 86 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -18.19745 on output line 86 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +70: WARNING: numerical mismatch between -76.13581 on reference line 86 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -76.13814 on output line 86 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +70: WARNING: numerical heat mismatch between -18.19689 on reference line 252 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -18.19745 on output line 252 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +70: WARNING: numerical mismatch between -76.13581 on reference line 252 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -76.13814 on output line 252 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +70: WARNING: numerical heat mismatch between -18.19689 on reference line 426 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -18.19745 on output line 426 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +70: WARNING: numerical mismatch between -76.13581 on reference line 426 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -76.13814 on output line 426 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +71: WARNING: numerical heat mismatch between -18.19788 on reference line 85 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -18.19844 on output line 85 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +71: WARNING: numerical mismatch between -76.13994 on reference line 85 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -76.14227 on output line 85 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +71: WARNING: numerical heat mismatch between -18.19788 on reference line 262 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -18.19844 on output line 262 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +71: WARNING: numerical mismatch between -76.13994 on reference line 262 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -76.14227 on output line 262 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac + 56/124 Test #72: key-AM1 .......................... Passed 0.22 sec +test 21 + Start 21: pdb_compare6 + +21: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "Compare_PDB_Bacteriorhodopsin_1AP9_and_1AT9.mop" +21: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests +21: Test timeout computed to be: 10000000 +74: +74: +74: MOPAC Job: "AUTOSYM.mop" ended normally on Apr 13, 2026, at 07:11. +74: + 57/124 Test #71: key-ALLVEC ....................... Passed 0.25 sec test 78 Start 78: key-CdotIdotDdot 78: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/keywords" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "CdotIdotDdot.mop" 78: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/keywords 78: Test timeout computed to be: 10000000 -77: -77: -77: MOPAC Job: "CdotIdot.mop" ended normally on Mar 9, 2025, at 22:45. -77: -77: WARNING: numerical heat mismatch between 14.6638 on reference line 76 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 14.66335 on output line 76 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -77: WARNING: numerical mismatch between 61.35332 on reference line 76 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 61.35146 on output line 76 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -77: WARNING: numerical heat mismatch between 8.74306 on reference line 235 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 8.74262 on output line 235 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -77: WARNING: numerical mismatch between 36.58098 on reference line 235 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 36.57911 on output line 235 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -77: WARNING: numerical heat mismatch between 8.74306 on reference line 394 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 8.74262 on output line 394 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -77: WARNING: numerical mismatch between 36.58098 on reference line 394 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 36.57911 on output line 394 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac - 68/124 Test #77: key-CdotIdot ..................... Passed 0.72 sec + 58/124 Test #70: key-ALLBONDS ..................... Passed 0.26 sec test 79 Start 79: key-CHARGE 79: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/keywords" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "CHARGE.mop" 79: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/keywords 79: Test timeout computed to be: 10000000 -78: -78: -78: MOPAC Job: "CdotIdotDdot.mop" ended normally on Mar 9, 2025, at 22:45. -78: - 69/124 Test #78: key-CdotIdotDdot ................. Passed 0.84 sec +74: WARNING: numerical heat mismatch between 22.9565 on reference line 102 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 22.95541 on output line 102 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +74: WARNING: numerical mismatch between 96.05001 on reference line 102 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 96.04545 on output line 102 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac + 59/124 Test #74: key-AUTOSYM ...................... Passed 0.25 sec test 80 Start 80: key-CIS 80: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/keywords" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "CIS.mop" 80: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/keywords 80: Test timeout computed to be: 10000000 -79: -79: -79: MOPAC Job: "CHARGE.mop" ended normally on Mar 9, 2025, at 22:45. -79: -79: WARNING: numerical mismatch between 869.38904 on reference line 78 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 869.38917 on output line 78 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -79: WARNING: numerical heat mismatch between 360.4549 on reference line 210 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 360.45506 on output line 210 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -79: WARNING: numerical mismatch between 1508.14332 on reference line 210 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 1508.14397 on output line 210 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -79: WARNING: numerical mismatch between 981.81163 on reference line 359 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 981.81185 on output line 359 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac - 70/124 Test #79: key-CHARGE ....................... Passed 0.84 sec +77: +77: +77: MOPAC Job: "CdotIdot.mop" ended normally on Apr 13, 2026, at 07:11. +77: +17: Mon Apr 13 07:11:35 2026 Job: 'Compare_PDB_Bacteriorhodopsin_1AP9_and_2AT9' started successfully +77: WARNING: numerical heat mismatch between 14.6638 on reference line 76 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 14.66335 on output line 76 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +77: WARNING: numerical mismatch between 61.35332 on reference line 76 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 61.35146 on output line 76 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +77: WARNING: numerical heat mismatch between 8.74306 on reference line 235 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 8.74262 on output line 235 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +77: WARNING: numerical mismatch between 36.58098 on reference line 235 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 36.57911 on output line 235 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +77: WARNING: numerical heat mismatch between 8.74306 on reference line 394 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 8.74262 on output line 394 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +77: WARNING: numerical mismatch between 36.58098 on reference line 394 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 36.57911 on output line 394 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +18: Mon Apr 13 07:11:35 2026 Job: 'Compare_PDB_Bacteriorhodopsin_1AP9_and_1C3W' started successfully + 60/124 Test #77: key-CdotIdot ..................... Passed 0.27 sec test 81 Start 81: key-CISD 81: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/keywords" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "CISD.mop" 81: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/keywords 81: Test timeout computed to be: 10000000 +79: +79: +79: MOPAC Job: "CHARGE.mop" ended normally on Apr 13, 2026, at 07:11. +79: +78: +78: +78: MOPAC Job: "CdotIdotDdot.mop" ended normally on Apr 13, 2026, at 07:11. +78: +19: Mon Apr 13 07:11:35 2026 Job: 'Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRX' started successfully 80: 80: -80: MOPAC Job: "CIS.mop" ended normally on Mar 9, 2025, at 22:45. +80: MOPAC Job: "CIS.mop" ended normally on Apr 13, 2026, at 07:11. 80: -80: WARNING: numerical heat mismatch between 8.74306 on reference line 78 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 8.74262 on output line 78 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -80: WARNING: numerical mismatch between 36.58098 on reference line 78 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 36.57911 on output line 78 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -80: WARNING: numerical heat mismatch between 14.6638 on reference line 273 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 14.66335 on output line 273 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -80: WARNING: numerical mismatch between 61.35332 on reference line 273 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 61.35146 on output line 273 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac - 71/124 Test #80: key-CIS .......................... Passed 0.59 sec +79: WARNING: numerical mismatch between 869.38904 on reference line 78 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 869.38917 on output line 78 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +79: WARNING: numerical heat mismatch between 360.4549 on reference line 210 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 360.45506 on output line 210 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +79: WARNING: numerical mismatch between 1508.14332 on reference line 210 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 1508.14397 on output line 210 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +79: WARNING: numerical mismatch between 981.81163 on reference line 359 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 981.81185 on output line 359 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +20: Mon Apr 13 07:11:35 2026 Job: 'Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRR' started successfully + 61/124 Test #79: key-CHARGE ....................... Passed 0.22 sec test 82 Start 82: key-CISDT 82: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/keywords" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "CISDT.mop" 82: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/keywords 82: Test timeout computed to be: 10000000 -76: -76: -76: MOPAC Job: "CdotAdotSdot.mop" ended normally on Mar 9, 2025, at 22:45. -76: -81: -81: -81: MOPAC Job: "CISD.mop" ended normally on Mar 9, 2025, at 22:45. -81: -81: WARNING: numerical heat mismatch between 7.84782 on reference line 78 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 7.84737 on output line 78 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -81: WARNING: numerical mismatch between 32.83528 on reference line 78 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 32.8334 on output line 78 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -81: WARNING: numerical heat mismatch between 7.85711 on reference line 401 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 7.85666 on output line 401 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -81: WARNING: numerical mismatch between 32.87415 on reference line 401 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 32.87228 on output line 401 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac - 72/124 Test #81: key-CISD ......................... Passed 0.60 sec +80: WARNING: numerical heat mismatch between 8.74306 on reference line 78 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 8.74262 on output line 78 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +80: WARNING: numerical mismatch between 36.58098 on reference line 78 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 36.57911 on output line 78 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +80: WARNING: numerical heat mismatch between 14.6638 on reference line 273 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 14.66335 on output line 273 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +80: WARNING: numerical mismatch between 61.35332 on reference line 273 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 61.35146 on output line 273 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +21: Mon Apr 13 07:11:35 2026 Job: 'Compare_PDB_Bacteriorhodopsin_1AP9_and_1AT9' started successfully + 62/124 Test #80: key-CIS .......................... Passed 0.39 sec test 83 Start 83: key-DISP 83: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/keywords" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "DISP.mop" 83: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/keywords 83: Test timeout computed to be: 10000000 - 73/124 Test #76: key-CdotAdotSdot ................. Passed 4.09 sec + 63/124 Test #78: key-CdotIdotDdot ................. Passed 0.43 sec test 84 Start 84: key-DOUBLET 84: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/keywords" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "DOUBLET.mop" 84: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/keywords 84: Test timeout computed to be: 10000000 +81: +81: +81: MOPAC Job: "CISD.mop" ended normally on Apr 13, 2026, at 07:11. +81: +81: WARNING: numerical heat mismatch between 7.84782 on reference line 78 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 7.84737 on output line 78 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +81: WARNING: numerical mismatch between 32.83528 on reference line 78 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 32.8334 on output line 78 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +81: WARNING: numerical heat mismatch between 7.85711 on reference line 401 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 7.85666 on output line 401 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +81: WARNING: numerical mismatch between 32.87415 on reference line 401 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 32.87228 on output line 401 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac + 64/124 Test #81: key-CISD ......................... Passed 0.43 sec +test 85 + Start 85: key-EXTERNAL + +85: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/keywords" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "EXTERNAL.mop" "EXTERNAL.dat" +85: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/keywords +85: Test timeout computed to be: 10000000 83: 83: -83: MOPAC Job: "DISP.mop" ended normally on Mar 9, 2025, at 22:45. +83: MOPAC Job: "DISP.mop" ended normally on Apr 13, 2026, at 07:11. 83: 83: WARNING: numerical heat mismatch between -192.3822 on reference line 86 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -192.38299 on output line 86 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac 83: WARNING: numerical mismatch between -804.92711 on reference line 86 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -804.93045 on output line 86 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac @@ -2970,148 +2960,152 @@ 83: WARNING: numerical mismatch between -192.3822 on reference line 293 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -192.38299 on output line 293 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac 83: WARNING: numerical mismatch between -4519.7709 on reference line 304 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -4519.77115 on output line 304 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac 83: WARNING: numerical mismatch between 3053.64839 on reference line 305 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 3053.64864 on output line 305 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac - 74/124 Test #83: key-DISP ......................... Passed 0.62 sec -test 85 - Start 85: key-EXTERNAL - -85: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/keywords" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "EXTERNAL.mop" "EXTERNAL.dat" -85: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/keywords -85: Test timeout computed to be: 10000000 84: 84: -84: MOPAC Job: "DOUBLET.mop" ended normally on Mar 9, 2025, at 22:45. +84: MOPAC Job: "DOUBLET.mop" ended normally on Apr 13, 2026, at 07:11. 84: -84: WARNING: numerical mismatch between 463.20296 on reference line 73 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 463.20324 on output line 73 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -84: WARNING: numerical mismatch between 463.20296 on reference line 222 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 463.20324 on output line 222 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -84: WARNING: numerical mismatch between 580.44941 on reference line 371 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 580.44979 on output line 371 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -84: WARNING: numerical mismatch between 580.44941 on reference line 503 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 580.44979 on output line 503 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -84: WARNING: numerical mismatch between 580.44941 on reference line 638 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 580.44979 on output line 638 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -84: WARNING: numerical mismatch between 580.44941 on reference line 801 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 580.44979 on output line 801 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac - 75/124 Test #84: key-DOUBLET ...................... Passed 0.84 sec + 65/124 Test #83: key-DISP ......................... Passed 0.24 sec test 86 Start 86: key-EXTERNAL-2 86: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/keywords" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "EXTERNAL_2.mop" 86: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/keywords 86: Test timeout computed to be: 10000000 -85: -85: -85: MOPAC Job: "EXTERNAL.mop" ended normally on Mar 9, 2025, at 22:45. -85: - 76/124 Test #85: key-EXTERNAL ..................... Passed 0.72 sec +84: WARNING: numerical mismatch between 463.20296 on reference line 73 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 463.20324 on output line 73 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +84: WARNING: numerical mismatch between 463.20296 on reference line 222 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 463.20324 on output line 222 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +84: WARNING: numerical mismatch between 580.44941 on reference line 371 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 580.44979 on output line 371 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +84: WARNING: numerical mismatch between 580.44941 on reference line 503 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 580.44979 on output line 503 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +84: WARNING: numerical mismatch between 580.44941 on reference line 638 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 580.44979 on output line 638 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +84: WARNING: numerical mismatch between 580.44941 on reference line 801 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 580.44979 on output line 801 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac + 66/124 Test #84: key-DOUBLET ...................... Passed 0.30 sec test 87 Start 87: key-INDO 87: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/keywords" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "INDO.mop" 87: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/keywords 87: Test timeout computed to be: 10000000 -86: -86: -86: MOPAC Job: "EXTERNAL_2.mop" ended normally on Mar 9, 2025, at 22:45. -86: - 77/124 Test #86: key-EXTERNAL-2 ................... Passed 0.70 sec +26: +26: +26: MOPAC Job: "SITE_Individual_residues.mop" ended normally on Apr 13, 2026, at 07:11. +26: +85: +85: +85: MOPAC Job: "EXTERNAL.mop" ended normally on Apr 13, 2026, at 07:11. +85: + 67/124 Test #26: residues ......................... Passed 1.62 sec test 88 Start 88: key-MAXCI 88: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/keywords" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "MAXCI.mop" 88: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/keywords 88: Test timeout computed to be: 10000000 -87: -87: -87: MOPAC Job: "INDO.mop" ended normally on Mar 9, 2025, at 22:45. -87: - 78/124 Test #87: key-INDO ......................... Passed 0.61 sec + 68/124 Test #85: key-EXTERNAL ..................... Passed 0.21 sec test 89 Start 89: key-MECI 89: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/keywords" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "MECI.mop" 89: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/keywords 89: Test timeout computed to be: 10000000 -28: -28: -28: MOPAC Job: "erratic2.mop" ended normally on Mar 9, 2025, at 22:45. -28: -88: -88: -88: MOPAC Job: "MAXCI.mop" ended normally on Mar 9, 2025, at 22:45. -88: -89: -89: -89: MOPAC Job: "MECI.mop" ended normally on Mar 9, 2025, at 22:45. -89: -30: Passed API test 10 - 79/124 Test #30: mopac-api-test ................... Passed 25.17 sec +86: +86: +86: MOPAC Job: "EXTERNAL_2.mop" ended normally on Apr 13, 2026, at 07:11. +86: +87: +87: +87: MOPAC Job: "INDO.mop" ended normally on Apr 13, 2026, at 07:11. +87: + 69/124 Test #86: key-EXTERNAL-2 ................... Passed 0.23 sec test 90 Start 90: key-MNDO 90: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/keywords" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "MNDO.mop" 90: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/keywords 90: Test timeout computed to be: 10000000 - 80/124 Test #28: erratic-2 ........................ Passed 26.23 sec + 70/124 Test #87: key-INDO ......................... Passed 0.22 sec test 91 Start 91: key-MNDOD 91: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/keywords" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "MNDOD.mop" 91: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/keywords 91: Test timeout computed to be: 10000000 +89: +89: +89: MOPAC Job: "MECI.mop" ended normally on Apr 13, 2026, at 07:11. +89: 89: WARNING: numerical heat mismatch between 8.74306 on reference line 78 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 8.74262 on output line 78 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac 89: WARNING: numerical mismatch between 36.58098 on reference line 78 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 36.57911 on output line 78 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac - 81/124 Test #88: key-MAXCI ........................ Passed 0.71 sec + 71/124 Test #89: key-MECI ......................... Passed 0.20 sec test 92 Start 92: key-MRCI 92: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/keywords" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "MRCI.mop" 92: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/keywords 92: Test timeout computed to be: 10000000 - 82/124 Test #89: key-MECI ......................... Passed 0.40 sec +75: +75: +75: MOPAC Job: "BIRADICAL.mop" ended normally on Apr 13, 2026, at 07:11. +75: +90: +90: +90: MOPAC Job: "MNDO.mop" ended normally on Apr 13, 2026, at 07:11. +90: +88: +88: +88: MOPAC Job: "MAXCI.mop" ended normally on Apr 13, 2026, at 07:11. +88: +90: WARNING: numerical heat mismatch between -75.10973 on reference line 81 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -75.11002 on output line 81 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +90: WARNING: numerical mismatch between -314.25912 on reference line 81 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -314.26034 on output line 81 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +75: WARNING: numerical heat mismatch between 86.55356 on reference line 118 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 86.55281 on output line 118 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +75: WARNING: numerical mismatch between 362.14011 on reference line 118 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 362.13696 on output line 118 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +75: WARNING: numerical heat mismatch between 86.55356 on reference line 334 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 86.55281 on output line 334 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +75: WARNING: numerical mismatch between 362.14011 on reference line 334 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 362.13696 on output line 334 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +91: +91: +91: MOPAC Job: "MNDOD.mop" ended normally on Apr 13, 2026, at 07:11. +91: + 72/124 Test #90: key-MNDO ......................... Passed 0.20 sec test 93 Start 93: key-MS 93: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/keywords" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "MS.mop" 93: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/keywords 93: Test timeout computed to be: 10000000 -91: -91: -91: MOPAC Job: "MNDOD.mop" ended normally on Mar 9, 2025, at 22:45. -91: -90: -90: -90: MOPAC Job: "MNDO.mop" ended normally on Mar 9, 2025, at 22:45. -90: - 83/124 Test #91: key-MNDOD ........................ Passed 0.27 sec + 73/124 Test #75: key-BIRADICAL .................... Passed 1.30 sec test 94 Start 94: key-NOANCI 94: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/keywords" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "NOANCI.mop" 94: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/keywords 94: Test timeout computed to be: 10000000 -90: WARNING: numerical heat mismatch between -75.10973 on reference line 81 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -75.11002 on output line 81 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -90: WARNING: numerical mismatch between -314.25912 on reference line 81 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -314.26034 on output line 81 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac - 84/124 Test #90: key-MNDO ......................... Passed 0.34 sec + 74/124 Test #91: key-MNDOD ........................ Passed 0.18 sec test 95 Start 95: key-NONET 95: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/keywords" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "NONET.mop" 95: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/keywords 95: Test timeout computed to be: 10000000 -94: -94: -94: MOPAC Job: "NOANCI.mop" ended normally on Mar 9, 2025, at 22:45. -94: -94: WARNING: numerical mismatch between 32.92723 on reference line 84 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 32.92687 on output line 84 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -94: WARNING: numerical mismatch between 32.92723 on reference line 236 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 32.92688 on output line 236 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -93: -93: -93: MOPAC Job: "MS.mop" ended normally on Mar 9, 2025, at 22:45. -93: - 85/124 Test #94: key-NOANCI ....................... Passed 0.31 sec + 75/124 Test #88: key-MAXCI ........................ Passed 0.34 sec test 96 Start 96: key-NOSYM 96: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/keywords" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "NOSYM.mop" 96: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/keywords 96: Test timeout computed to be: 10000000 - 86/124 Test #93: key-MS ........................... Passed 0.59 sec +93: +93: +93: MOPAC Job: "MS.mop" ended normally on Apr 13, 2026, at 07:11. +93: +94: +94: +94: MOPAC Job: "NOANCI.mop" ended normally on Apr 13, 2026, at 07:11. +94: +94: WARNING: numerical mismatch between 32.92723 on reference line 84 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 32.92687 on output line 84 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +94: WARNING: numerical mismatch between 32.92723 on reference line 236 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 32.92688 on output line 236 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +95: +95: +95: MOPAC Job: "NONET.mop" ended normally on Apr 13, 2026, at 07:11. +95: + 76/124 Test #93: key-MS ........................... Passed 0.24 sec test 97 Start 97: key-OCTET @@ -3120,27 +3114,15 @@ 97: Test timeout computed to be: 10000000 96: 96: -96: MOPAC Job: "NOSYM.mop" ended normally on Mar 9, 2025, at 22:45. +96: MOPAC Job: "NOSYM.mop" ended normally on Apr 13, 2026, at 07:11. 96: -96: WARNING: numerical heat mismatch between -14.38448 on reference line 77 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -14.38481 on output line 77 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -96: WARNING: numerical mismatch between -60.18468 on reference line 77 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -60.18604 on output line 77 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -96: WARNING: numerical heat mismatch between -14.38448 on reference line 320 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -14.38481 on output line 320 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -96: WARNING: numerical mismatch between -60.18468 on reference line 320 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -60.18604 on output line 320 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac - 87/124 Test #96: key-NOSYM ........................ Passed 0.38 sec + 77/124 Test #94: key-NOANCI ....................... Passed 0.23 sec test 98 Start 98: key-OPEN 98: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/keywords" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "OPEN.mop" 98: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/keywords 98: Test timeout computed to be: 10000000 -92: -92: -92: MOPAC Job: "MRCI.mop" ended normally on Mar 9, 2025, at 22:45. -92: -95: -95: -95: MOPAC Job: "NONET.mop" ended normally on Mar 9, 2025, at 22:45. -95: 95: WARNING: numerical heat mismatch between 1889.18768 on reference line 73 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 1889.18921 on output line 73 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac 95: WARNING: numerical mismatch between 7904.36124 on reference line 73 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 7904.36764 on output line 73 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac 95: WARNING: numerical heat mismatch between 1889.18768 on reference line 222 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 1889.18921 on output line 222 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac @@ -3149,24 +3131,36 @@ 95: WARNING: numerical mismatch between 7904.36124 on reference line 374 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 7904.36764 on output line 374 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac 95: WARNING: numerical heat mismatch between 1889.18768 on reference line 536 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 1889.18921 on output line 536 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac 95: WARNING: numerical mismatch between 7904.36124 on reference line 536 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 7904.36764 on output line 536 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac - 88/124 Test #92: key-MRCI ......................... Passed 1.11 sec + 78/124 Test #95: key-NONET ........................ Passed 0.26 sec test 99 Start 99: key-PECI 99: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/keywords" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "PECI.mop" 99: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/keywords 99: Test timeout computed to be: 10000000 - 89/124 Test #95: key-NONET ........................ Passed 0.87 sec +96: WARNING: numerical heat mismatch between -14.38448 on reference line 77 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -14.38481 on output line 77 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +96: WARNING: numerical mismatch between -60.18468 on reference line 77 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -60.18604 on output line 77 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +96: WARNING: numerical heat mismatch between -14.38448 on reference line 320 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -14.38481 on output line 320 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +96: WARNING: numerical mismatch between -60.18468 on reference line 320 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -60.18604 on output line 320 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac + 79/124 Test #96: key-NOSYM ........................ Passed 0.27 sec test 100 Start 100: key-PM3 100: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/keywords" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "PM3.mop" 100: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/keywords 100: Test timeout computed to be: 10000000 +92: +92: +92: MOPAC Job: "MRCI.mop" ended normally on Apr 13, 2026, at 07:11. +92: 97: 97: -97: MOPAC Job: "OCTET.mop" ended normally on Mar 9, 2025, at 22:45. +97: MOPAC Job: "OCTET.mop" ended normally on Apr 13, 2026, at 07:11. 97: +98: +98: +98: MOPAC Job: "OPEN.mop" ended normally on Apr 13, 2026, at 07:11. +98: 97: WARNING: numerical heat mismatch between 2654.15927 on reference line 73 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 2654.16139 on output line 73 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac 97: WARNING: numerical mismatch between 11105.0024 on reference line 73 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 11105.01124 on output line 73 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac 97: WARNING: numerical heat mismatch between 2654.15927 on reference line 222 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 2654.16139 on output line 222 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac @@ -3175,677 +3169,363 @@ 97: WARNING: numerical mismatch between 11105.0024 on reference line 374 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 11105.01124 on output line 374 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac 97: WARNING: numerical heat mismatch between 2654.15927 on reference line 535 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 2654.16139 on output line 535 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac 97: WARNING: numerical mismatch between 11105.0024 on reference line 535 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 11105.01124 on output line 535 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac - 90/124 Test #97: key-OCTET ........................ Passed 0.72 sec +99: +99: +99: MOPAC Job: "PECI.mop" ended normally on Apr 13, 2026, at 07:11. +99: + 80/124 Test #97: key-OCTET ........................ Passed 0.25 sec test 101 Start 101: key-PM6 101: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/keywords" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "PM6.mop" 101: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/keywords 101: Test timeout computed to be: 10000000 -98: -98: -98: MOPAC Job: "OPEN.mop" ended normally on Mar 9, 2025, at 22:45. -98: -99: -99: -99: MOPAC Job: "PECI.mop" ended normally on Mar 9, 2025, at 22:45. -99: 100: 100: -100: MOPAC Job: "PM3.mop" ended normally on Mar 9, 2025, at 22:45. +100: MOPAC Job: "PM3.mop" ended normally on Apr 13, 2026, at 07:11. 100: -99: WARNING: numerical heat mismatch between 7.84782 on reference line 78 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 7.84737 on output line 78 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -99: WARNING: numerical mismatch between 32.83528 on reference line 78 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 32.8334 on output line 78 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -99: WARNING: numerical heat mismatch between 8.61328 on reference line 401 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 8.61283 on output line 401 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -99: WARNING: numerical mismatch between 36.03795 on reference line 401 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 36.03607 on output line 401 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -100: WARNING: numerical heat mismatch between -85.0678 on reference line 81 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -85.06811 on output line 81 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -100: WARNING: numerical mismatch between -355.92369 on reference line 81 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -355.92497 on output line 81 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac - 91/124 Test #99: key-PECI ......................... Passed 0.53 sec + 81/124 Test #92: key-MRCI ......................... Passed 0.59 sec test 102 Start 102: key-PM6-D3 102: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/keywords" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "PM6-D3.mop" 102: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/keywords 102: Test timeout computed to be: 10000000 - 92/124 Test #100: key-PM3 .......................... Passed 0.51 sec +99: WARNING: numerical heat mismatch between 7.84782 on reference line 78 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 7.84737 on output line 78 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +99: WARNING: numerical mismatch between 32.83528 on reference line 78 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 32.8334 on output line 78 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +99: WARNING: numerical heat mismatch between 8.61328 on reference line 401 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 8.61283 on output line 401 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +99: WARNING: numerical mismatch between 36.03795 on reference line 401 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 36.03607 on output line 401 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +100: WARNING: numerical heat mismatch between -85.0678 on reference line 81 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -85.06811 on output line 81 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +100: WARNING: numerical mismatch between -355.92369 on reference line 81 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -355.92497 on output line 81 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac + 82/124 Test #99: key-PECI ......................... Passed 0.24 sec test 103 Start 103: key-PM6-D3H4 103: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/keywords" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "PM6-D3H4.mop" 103: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/keywords 103: Test timeout computed to be: 10000000 -98: WARNING: numerical mismatch between 1250.10713 on reference line 88 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 1250.10688 on output line 88 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -98: WARNING: numerical mismatch between 1245.97296 on reference line 284 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 1245.97271 on output line 284 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -98: WARNING: numerical mismatch between 1250.10713 on reference line 670 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 1250.10688 on output line 670 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -98: WARNING: numerical mismatch between 1247.47435 on reference line 1042 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 1247.4741 on output line 1042 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac - 93/124 Test #98: key-OPEN ......................... Passed 0.81 sec + 83/124 Test #100: key-PM3 .......................... Passed 0.22 sec test 104 Start 104: key-PM6-D3H4X 104: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/keywords" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "PM6-D3H4X.mop" 104: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/keywords 104: Test timeout computed to be: 10000000 -101: -101: -101: MOPAC Job: "PM6.mop" ended normally on Mar 9, 2025, at 22:45. -101: -101: WARNING: numerical heat mismatch between -84.81192 on reference line 82 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -84.81223 on output line 82 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -101: WARNING: numerical mismatch between -354.85309 on reference line 82 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -354.85436 on output line 82 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac - 94/124 Test #101: key-PM6 .......................... Passed 0.52 sec +98: WARNING: numerical mismatch between 1250.10713 on reference line 88 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 1250.10688 on output line 88 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +98: WARNING: numerical mismatch between 1245.97296 on reference line 284 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 1245.97271 on output line 284 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +98: WARNING: numerical mismatch between 1250.10713 on reference line 670 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 1250.10688 on output line 670 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +98: WARNING: numerical mismatch between 1247.47435 on reference line 1042 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 1247.4741 on output line 1042 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +19: +19: +19: MOPAC Job: "Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRX.mop" ended normally on Apr 13, 2026, at 07:11. +19: + 84/124 Test #98: key-OPEN ......................... Passed 0.31 sec test 105 Start 105: key-PM6-DHplus 105: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/keywords" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "PM6-DHplus.mop" 105: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/keywords 105: Test timeout computed to be: 10000000 -27: -27: -27: MOPAC Job: "erratic1.mop" ended normally on Mar 9, 2025, at 22:45. -27: -27: WARNING: numerical heat mismatch between -167.66206 on reference line 360 in /build/reproducible-path/mopac-23.1.2/tests and -167.66719 on output line 370 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -701.49806 on reference line 360 in /build/reproducible-path/mopac-23.1.2/tests and -701.51953 on output line 370 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -62312.34782 on reference line 362 in /build/reproducible-path/mopac-23.1.2/tests and -62312.35358 on output line 372 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -160.75863 on reference line 364 in /build/reproducible-path/mopac-23.1.2/tests and -160.76438 on output line 374 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.32459 on reference line 366 in /build/reproducible-path/mopac-23.1.2/tests and -1.32395 on output line 376 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -167.66206 on reference line 367 in /build/reproducible-path/mopac-23.1.2/tests and -167.66719 on output line 377 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -2702.11915 on reference line 372 in /build/reproducible-path/mopac-23.1.2/tests and -2702.1194 on output line 382 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -16549.96563 on reference line 373 in /build/reproducible-path/mopac-23.1.2/tests and -16549.76025 on output line 383 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 13847.84648 on reference line 374 in /build/reproducible-path/mopac-23.1.2/tests and 13847.64085 on output line 384 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 230.06 on reference line 375 in /build/reproducible-path/mopac-23.1.2/tests and 230.09 on output line 385 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 254.54 on reference line 376 in /build/reproducible-path/mopac-23.1.2/tests and 254.39 on output line 386 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -2.59953271 on reference line 403 in /build/reproducible-path/mopac-23.1.2/tests and -2.59877653 on output line 413 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -2.77575526 on reference line 403 in /build/reproducible-path/mopac-23.1.2/tests and -2.7759545 on output line 413 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.41403348 on reference line 403 in /build/reproducible-path/mopac-23.1.2/tests and -0.41381899 on output line 413 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.87686704 on reference line 404 in /build/reproducible-path/mopac-23.1.2/tests and -1.87583765 on output line 414 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.57709686 on reference line 404 in /build/reproducible-path/mopac-23.1.2/tests and -1.5774362 on output line 414 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.5710808 on reference line 405 in /build/reproducible-path/mopac-23.1.2/tests and -1.57206304 on output line 415 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.40333884 on reference line 405 in /build/reproducible-path/mopac-23.1.2/tests and -1.40251387 on output line 415 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.27574228 on reference line 405 in /build/reproducible-path/mopac-23.1.2/tests and 1.27615293 on output line 415 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.60327578 on reference line 406 in /build/reproducible-path/mopac-23.1.2/tests and -1.60059246 on output line 416 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.71421711 on reference line 406 in /build/reproducible-path/mopac-23.1.2/tests and -0.71544023 on output line 416 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.85842567 on reference line 406 in /build/reproducible-path/mopac-23.1.2/tests and -0.85870787 on output line 416 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.89666343 on reference line 407 in /build/reproducible-path/mopac-23.1.2/tests and -0.89600724 on output line 417 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.54570105 on reference line 407 in /build/reproducible-path/mopac-23.1.2/tests and 0.54550999 on output line 417 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.52366121 on reference line 407 in /build/reproducible-path/mopac-23.1.2/tests and -0.52350162 on output line 417 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.39949204 on reference line 408 in /build/reproducible-path/mopac-23.1.2/tests and -1.40063452 on output line 418 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.68105693 on reference line 408 in /build/reproducible-path/mopac-23.1.2/tests and -1.67989458 on output line 418 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.00548105 on reference line 409 in /build/reproducible-path/mopac-23.1.2/tests and -1.00811526 on output line 419 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 2.87491828 on reference line 409 in /build/reproducible-path/mopac-23.1.2/tests and 2.87520839 on output line 419 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.49999724 on reference line 409 in /build/reproducible-path/mopac-23.1.2/tests and -1.49771331 on output line 419 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.27371739 on reference line 410 in /build/reproducible-path/mopac-23.1.2/tests and 0.2715685 on output line 420 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 3.11422137 on reference line 410 in /build/reproducible-path/mopac-23.1.2/tests and 3.1156071 on output line 420 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.13548835 on reference line 410 in /build/reproducible-path/mopac-23.1.2/tests and -1.13571962 on output line 420 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.73362283 on reference line 411 in /build/reproducible-path/mopac-23.1.2/tests and -1.73787166 on output line 421 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 3.81609528 on reference line 411 in /build/reproducible-path/mopac-23.1.2/tests and 3.81566544 on output line 421 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.67831486 on reference line 411 in /build/reproducible-path/mopac-23.1.2/tests and -1.67313221 on output line 421 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.5358667 on reference line 412 in /build/reproducible-path/mopac-23.1.2/tests and 0.53675583 on output line 422 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.35294005 on reference line 412 in /build/reproducible-path/mopac-23.1.2/tests and 0.35457918 on output line 422 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.54430006 on reference line 412 in /build/reproducible-path/mopac-23.1.2/tests and -0.54506347 on output line 422 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.33584851 on reference line 413 in /build/reproducible-path/mopac-23.1.2/tests and 1.33701191 on output line 423 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.61785947 on reference line 413 in /build/reproducible-path/mopac-23.1.2/tests and 0.6165643 on output line 423 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.37112909 on reference line 414 in /build/reproducible-path/mopac-23.1.2/tests and -1.37148373 on output line 424 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.81847858 on reference line 414 in /build/reproducible-path/mopac-23.1.2/tests and 0.81578858 on output line 424 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 2.68336068 on reference line 415 in /build/reproducible-path/mopac-23.1.2/tests and 2.68491503 on output line 425 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.76935628 on reference line 415 in /build/reproducible-path/mopac-23.1.2/tests and 0.76853464 on output line 425 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.4261294 on reference line 415 in /build/reproducible-path/mopac-23.1.2/tests and 0.42492075 on output line 425 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.73060349 on reference line 416 in /build/reproducible-path/mopac-23.1.2/tests and 0.73251534 on output line 426 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.661907 on reference line 416 in /build/reproducible-path/mopac-23.1.2/tests and 0.66128666 on output line 426 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.877465 on reference line 416 in /build/reproducible-path/mopac-23.1.2/tests and 1.87683138 on output line 426 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -2.83813135 on reference line 417 in /build/reproducible-path/mopac-23.1.2/tests and -2.76213852 on output line 427 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -2.68231128 on reference line 417 in /build/reproducible-path/mopac-23.1.2/tests and -2.72085392 on output line 427 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.48424696 on reference line 417 in /build/reproducible-path/mopac-23.1.2/tests and -1.50065033 on output line 427 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.99139435 on reference line 418 in /build/reproducible-path/mopac-23.1.2/tests and -2.03229522 on output line 428 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -3.68192697 on reference line 418 in /build/reproducible-path/mopac-23.1.2/tests and -3.69361533 on output line 428 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.28044258 on reference line 418 in /build/reproducible-path/mopac-23.1.2/tests and -0.20006276 on output line 428 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -3.54098093 on reference line 419 in /build/reproducible-path/mopac-23.1.2/tests and -3.58046441 on output line 429 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -2.92814342 on reference line 419 in /build/reproducible-path/mopac-23.1.2/tests and -2.87543926 on output line 429 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.13597889 on reference line 419 in /build/reproducible-path/mopac-23.1.2/tests and 0.074775 on output line 429 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.32611074 on reference line 420 in /build/reproducible-path/mopac-23.1.2/tests and -1.32533048 on output line 430 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.88447283 on reference line 420 in /build/reproducible-path/mopac-23.1.2/tests and 0.88309356 on output line 430 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.44505802 on reference line 420 in /build/reproducible-path/mopac-23.1.2/tests and 0.44570192 on output line 430 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.00536182 on reference line 421 in /build/reproducible-path/mopac-23.1.2/tests and -1.00667729 on output line 431 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.05545018 on reference line 421 in /build/reproducible-path/mopac-23.1.2/tests and 1.0567308 on output line 431 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -2.6473519 on reference line 421 in /build/reproducible-path/mopac-23.1.2/tests and -2.64674563 on output line 431 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -2.50472859 on reference line 422 in /build/reproducible-path/mopac-23.1.2/tests and -2.50581942 on output line 432 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.35261396 on reference line 422 in /build/reproducible-path/mopac-23.1.2/tests and 1.35136321 on output line 432 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.76714801 on reference line 422 in /build/reproducible-path/mopac-23.1.2/tests and -1.7653265 on output line 432 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.98517326 on reference line 423 in /build/reproducible-path/mopac-23.1.2/tests and 0.98604494 on output line 433 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.07758771 on reference line 423 in /build/reproducible-path/mopac-23.1.2/tests and 0.08114316 on output line 433 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.48015972 on reference line 423 in /build/reproducible-path/mopac-23.1.2/tests and -1.48149056 on output line 433 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.79430531 on reference line 424 in /build/reproducible-path/mopac-23.1.2/tests and 0.79320563 on output line 434 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 2.2693865 on reference line 424 in /build/reproducible-path/mopac-23.1.2/tests and 2.27124593 on output line 434 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.9369799 on reference line 424 in /build/reproducible-path/mopac-23.1.2/tests and -0.93780015 on output line 434 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 2.25653234 on reference line 425 in /build/reproducible-path/mopac-23.1.2/tests and 2.25842577 on output line 435 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.56734258 on reference line 425 in /build/reproducible-path/mopac-23.1.2/tests and -1.56895011 on output line 435 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.65451787 on reference line 425 in /build/reproducible-path/mopac-23.1.2/tests and 1.64996665 on output line 435 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.87739345 on reference line 426 in /build/reproducible-path/mopac-23.1.2/tests and -1.87687695 on output line 436 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.02629055 on reference line 426 in /build/reproducible-path/mopac-23.1.2/tests and 1.0256139 on output line 436 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.98131316 on reference line 427 in /build/reproducible-path/mopac-23.1.2/tests and 1.97838266 on output line 437 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.81923007 on reference line 427 in /build/reproducible-path/mopac-23.1.2/tests and -1.81952268 on output line 437 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.10064983 on reference line 427 in /build/reproducible-path/mopac-23.1.2/tests and -0.10468157 on output line 437 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 3.34816329 on reference line 428 in /build/reproducible-path/mopac-23.1.2/tests and 3.34935435 on output line 438 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.58505225 on reference line 428 in /build/reproducible-path/mopac-23.1.2/tests and 0.58428014 on output line 438 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.28076405 on reference line 428 in /build/reproducible-path/mopac-23.1.2/tests and 1.27984816 on output line 438 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 3.16963 on reference line 429 in /build/reproducible-path/mopac-23.1.2/tests and 3.17127786 on output line 439 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.3926988 on reference line 429 in /build/reproducible-path/mopac-23.1.2/tests and 0.39117061 on output line 439 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.48857036 on reference line 429 in /build/reproducible-path/mopac-23.1.2/tests and -0.48942977 on output line 439 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 2.55662468 on reference line 430 in /build/reproducible-path/mopac-23.1.2/tests and 2.55876715 on output line 440 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.85992671 on reference line 430 in /build/reproducible-path/mopac-23.1.2/tests and 1.85911141 on output line 440 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.30372863 on reference line 430 in /build/reproducible-path/mopac-23.1.2/tests and 0.30200124 on output line 440 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.49054429 on reference line 431 in /build/reproducible-path/mopac-23.1.2/tests and 0.49185417 on output line 441 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.73219412 on reference line 431 in /build/reproducible-path/mopac-23.1.2/tests and 1.7315019 on output line 441 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.75442162 on reference line 431 in /build/reproducible-path/mopac-23.1.2/tests and 1.75428753 on output line 441 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.21695551 on reference line 432 in /build/reproducible-path/mopac-23.1.2/tests and -0.21466493 on output line 442 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.130312 on reference line 432 in /build/reproducible-path/mopac-23.1.2/tests and 0.12928407 on output line 442 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.40601706 on reference line 433 in /build/reproducible-path/mopac-23.1.2/tests and 1.40865877 on output line 443 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.54294822 on reference line 433 in /build/reproducible-path/mopac-23.1.2/tests and 0.54234621 on output line 443 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 2.7354817 on reference line 433 in /build/reproducible-path/mopac-23.1.2/tests and 2.73426469 on output line 443 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -2.599532711 on reference line 437 in /build/reproducible-path/mopac-23.1.2/tests and -2.598776525 on output line 447 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -2.775755262 on reference line 437 in /build/reproducible-path/mopac-23.1.2/tests and -2.775954498 on output line 447 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.414033476 on reference line 437 in /build/reproducible-path/mopac-23.1.2/tests and -0.413818992 on output line 447 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.876867044 on reference line 438 in /build/reproducible-path/mopac-23.1.2/tests and -1.875837648 on output line 448 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.577096858 on reference line 438 in /build/reproducible-path/mopac-23.1.2/tests and -1.577436201 on output line 448 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.571080805 on reference line 439 in /build/reproducible-path/mopac-23.1.2/tests and -1.572063037 on output line 449 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.403338838 on reference line 439 in /build/reproducible-path/mopac-23.1.2/tests and -1.402513866 on output line 449 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.275742279 on reference line 439 in /build/reproducible-path/mopac-23.1.2/tests and 1.276152927 on output line 449 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.603275776 on reference line 440 in /build/reproducible-path/mopac-23.1.2/tests and -1.600592461 on output line 450 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.714217106 on reference line 440 in /build/reproducible-path/mopac-23.1.2/tests and -0.715440228 on output line 450 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.858425666 on reference line 440 in /build/reproducible-path/mopac-23.1.2/tests and -0.858707866 on output line 450 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.896663428 on reference line 441 in /build/reproducible-path/mopac-23.1.2/tests and -0.896007239 on output line 451 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.545701046 on reference line 441 in /build/reproducible-path/mopac-23.1.2/tests and 0.545509993 on output line 451 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.523661208 on reference line 441 in /build/reproducible-path/mopac-23.1.2/tests and -0.523501618 on output line 451 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.399492042 on reference line 442 in /build/reproducible-path/mopac-23.1.2/tests and -1.400634516 on output line 452 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.68105693 on reference line 442 in /build/reproducible-path/mopac-23.1.2/tests and -1.679894575 on output line 452 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.005481052 on reference line 443 in /build/reproducible-path/mopac-23.1.2/tests and -1.008115256 on output line 453 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 2.874918282 on reference line 443 in /build/reproducible-path/mopac-23.1.2/tests and 2.875208388 on output line 453 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.499997236 on reference line 443 in /build/reproducible-path/mopac-23.1.2/tests and -1.49771331 on output line 453 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.273717388 on reference line 444 in /build/reproducible-path/mopac-23.1.2/tests and 0.271568502 on output line 454 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 3.114221371 on reference line 444 in /build/reproducible-path/mopac-23.1.2/tests and 3.115607102 on output line 454 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.135488352 on reference line 444 in /build/reproducible-path/mopac-23.1.2/tests and -1.135719618 on output line 454 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.733622831 on reference line 445 in /build/reproducible-path/mopac-23.1.2/tests and -1.737871658 on output line 455 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 3.816095283 on reference line 445 in /build/reproducible-path/mopac-23.1.2/tests and 3.815665444 on output line 455 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.678314861 on reference line 445 in /build/reproducible-path/mopac-23.1.2/tests and -1.67313221 on output line 455 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.535866704 on reference line 446 in /build/reproducible-path/mopac-23.1.2/tests and 0.536755828 on output line 456 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.35294005 on reference line 446 in /build/reproducible-path/mopac-23.1.2/tests and 0.354579177 on output line 456 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.544300056 on reference line 446 in /build/reproducible-path/mopac-23.1.2/tests and -0.545063471 on output line 456 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.335848505 on reference line 447 in /build/reproducible-path/mopac-23.1.2/tests and 1.337011913 on output line 457 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.617859472 on reference line 447 in /build/reproducible-path/mopac-23.1.2/tests and 0.616564296 on output line 457 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.371129093 on reference line 448 in /build/reproducible-path/mopac-23.1.2/tests and -1.371483731 on output line 458 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.818478582 on reference line 448 in /build/reproducible-path/mopac-23.1.2/tests and 0.815788576 on output line 458 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 2.683360684 on reference line 449 in /build/reproducible-path/mopac-23.1.2/tests and 2.684915029 on output line 459 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.76935628 on reference line 449 in /build/reproducible-path/mopac-23.1.2/tests and 0.768534642 on output line 459 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.426129397 on reference line 449 in /build/reproducible-path/mopac-23.1.2/tests and 0.424920754 on output line 459 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.730603491 on reference line 450 in /build/reproducible-path/mopac-23.1.2/tests and 0.732515343 on output line 460 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.661906999 on reference line 450 in /build/reproducible-path/mopac-23.1.2/tests and 0.661286662 on output line 460 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.877464999 on reference line 450 in /build/reproducible-path/mopac-23.1.2/tests and 1.876831382 on output line 460 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -2.838131354 on reference line 451 in /build/reproducible-path/mopac-23.1.2/tests and -2.762138524 on output line 461 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -2.682311282 on reference line 451 in /build/reproducible-path/mopac-23.1.2/tests and -2.72085392 on output line 461 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.48424696 on reference line 451 in /build/reproducible-path/mopac-23.1.2/tests and -1.500650331 on output line 461 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.991394346 on reference line 452 in /build/reproducible-path/mopac-23.1.2/tests and -2.032295218 on output line 462 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -3.681926971 on reference line 452 in /build/reproducible-path/mopac-23.1.2/tests and -3.693615325 on output line 462 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.280442585 on reference line 452 in /build/reproducible-path/mopac-23.1.2/tests and -0.200062756 on output line 462 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -3.540980929 on reference line 453 in /build/reproducible-path/mopac-23.1.2/tests and -3.580464412 on output line 463 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -2.928143419 on reference line 453 in /build/reproducible-path/mopac-23.1.2/tests and -2.875439257 on output line 463 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.135978891 on reference line 453 in /build/reproducible-path/mopac-23.1.2/tests and 0.074774997 on output line 463 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.326110741 on reference line 454 in /build/reproducible-path/mopac-23.1.2/tests and -1.325330481 on output line 464 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.884472829 on reference line 454 in /build/reproducible-path/mopac-23.1.2/tests and 0.883093556 on output line 464 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.445058023 on reference line 454 in /build/reproducible-path/mopac-23.1.2/tests and 0.445701917 on output line 464 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.005361818 on reference line 455 in /build/reproducible-path/mopac-23.1.2/tests and -1.006677293 on output line 465 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.055450177 on reference line 455 in /build/reproducible-path/mopac-23.1.2/tests and 1.056730804 on output line 465 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -2.647351904 on reference line 455 in /build/reproducible-path/mopac-23.1.2/tests and -2.646745632 on output line 465 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -2.50472859 on reference line 456 in /build/reproducible-path/mopac-23.1.2/tests and -2.505819424 on output line 466 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.35261396 on reference line 456 in /build/reproducible-path/mopac-23.1.2/tests and 1.351363214 on output line 466 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.767148015 on reference line 456 in /build/reproducible-path/mopac-23.1.2/tests and -1.765326495 on output line 466 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.985173262 on reference line 457 in /build/reproducible-path/mopac-23.1.2/tests and 0.986044942 on output line 467 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.077587708 on reference line 457 in /build/reproducible-path/mopac-23.1.2/tests and 0.081143156 on output line 467 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.480159718 on reference line 457 in /build/reproducible-path/mopac-23.1.2/tests and -1.481490556 on output line 467 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.79430531 on reference line 458 in /build/reproducible-path/mopac-23.1.2/tests and 0.793205632 on output line 468 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 2.269386496 on reference line 458 in /build/reproducible-path/mopac-23.1.2/tests and 2.271245926 on output line 468 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.936979899 on reference line 458 in /build/reproducible-path/mopac-23.1.2/tests and -0.937800155 on output line 468 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 2.256532345 on reference line 459 in /build/reproducible-path/mopac-23.1.2/tests and 2.258425766 on output line 469 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.567342575 on reference line 459 in /build/reproducible-path/mopac-23.1.2/tests and -1.568950108 on output line 469 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.654517874 on reference line 459 in /build/reproducible-path/mopac-23.1.2/tests and 1.649966651 on output line 469 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.877393446 on reference line 460 in /build/reproducible-path/mopac-23.1.2/tests and -1.876876947 on output line 470 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.026290549 on reference line 460 in /build/reproducible-path/mopac-23.1.2/tests and 1.025613904 on output line 470 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.981313156 on reference line 461 in /build/reproducible-path/mopac-23.1.2/tests and 1.978382663 on output line 471 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.819230069 on reference line 461 in /build/reproducible-path/mopac-23.1.2/tests and -1.819522678 on output line 471 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.100649828 on reference line 461 in /build/reproducible-path/mopac-23.1.2/tests and -0.104681575 on output line 471 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 3.348163288 on reference line 462 in /build/reproducible-path/mopac-23.1.2/tests and 3.349354349 on output line 472 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.585052253 on reference line 462 in /build/reproducible-path/mopac-23.1.2/tests and 0.584280141 on output line 472 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.280764055 on reference line 462 in /build/reproducible-path/mopac-23.1.2/tests and 1.279848164 on output line 472 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 3.169630004 on reference line 463 in /build/reproducible-path/mopac-23.1.2/tests and 3.17127786 on output line 473 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.392698797 on reference line 463 in /build/reproducible-path/mopac-23.1.2/tests and 0.391170607 on output line 473 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.488570355 on reference line 463 in /build/reproducible-path/mopac-23.1.2/tests and -0.489429769 on output line 473 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 2.55662468 on reference line 464 in /build/reproducible-path/mopac-23.1.2/tests and 2.558767151 on output line 474 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.859926715 on reference line 464 in /build/reproducible-path/mopac-23.1.2/tests and 1.859111409 on output line 474 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.303728634 on reference line 464 in /build/reproducible-path/mopac-23.1.2/tests and 0.302001236 on output line 474 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.490544291 on reference line 465 in /build/reproducible-path/mopac-23.1.2/tests and 0.491854172 on output line 475 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.732194119 on reference line 465 in /build/reproducible-path/mopac-23.1.2/tests and 1.731501902 on output line 475 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.754421617 on reference line 465 in /build/reproducible-path/mopac-23.1.2/tests and 1.75428753 on output line 475 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.216955506 on reference line 466 in /build/reproducible-path/mopac-23.1.2/tests and -0.214664934 on output line 476 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.130311996 on reference line 466 in /build/reproducible-path/mopac-23.1.2/tests and 0.129284071 on output line 476 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.40601706 on reference line 467 in /build/reproducible-path/mopac-23.1.2/tests and 1.408658771 on output line 477 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.54294822 on reference line 467 in /build/reproducible-path/mopac-23.1.2/tests and 0.542346206 on output line 477 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 2.735481703 on reference line 467 in /build/reproducible-path/mopac-23.1.2/tests and 2.734264689 on output line 477 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -30.86924 on reference line 478 in /build/reproducible-path/mopac-23.1.2/tests and -30.86976 on output line 488 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -30.67089 on reference line 478 in /build/reproducible-path/mopac-23.1.2/tests and -30.67069 on output line 488 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -29.6694 on reference line 478 in /build/reproducible-path/mopac-23.1.2/tests and -29.66901 on output line 488 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -29.29795 on reference line 478 in /build/reproducible-path/mopac-23.1.2/tests and -29.29776 on output line 488 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -26.05072 on reference line 478 in /build/reproducible-path/mopac-23.1.2/tests and -26.05103 on output line 488 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -25.77464 on reference line 478 in /build/reproducible-path/mopac-23.1.2/tests and -25.77511 on output line 488 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -25.61711 on reference line 479 in /build/reproducible-path/mopac-23.1.2/tests and -25.61685 on output line 489 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -24.55775 on reference line 479 in /build/reproducible-path/mopac-23.1.2/tests and -24.55762 on output line 489 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -22.91416 on reference line 479 in /build/reproducible-path/mopac-23.1.2/tests and -22.91379 on output line 489 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -20.80122 on reference line 479 in /build/reproducible-path/mopac-23.1.2/tests and -20.80034 on output line 489 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -19.85203 on reference line 479 in /build/reproducible-path/mopac-23.1.2/tests and -19.85181 on output line 489 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -19.56616 on reference line 479 in /build/reproducible-path/mopac-23.1.2/tests and -19.56723 on output line 489 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -17.92319 on reference line 479 in /build/reproducible-path/mopac-23.1.2/tests and -17.92197 on output line 489 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -17.56184 on reference line 479 in /build/reproducible-path/mopac-23.1.2/tests and -17.56204 on output line 489 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -17.4333 on reference line 480 in /build/reproducible-path/mopac-23.1.2/tests and -17.43309 on output line 490 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -17.11986 on reference line 480 in /build/reproducible-path/mopac-23.1.2/tests and -17.12098 on output line 490 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -16.24491 on reference line 480 in /build/reproducible-path/mopac-23.1.2/tests and -16.24525 on output line 490 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -15.92288 on reference line 480 in /build/reproducible-path/mopac-23.1.2/tests and -15.91935 on output line 490 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -15.667 on reference line 480 in /build/reproducible-path/mopac-23.1.2/tests and -15.66904 on output line 490 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -15.07691 on reference line 480 in /build/reproducible-path/mopac-23.1.2/tests and -15.07633 on output line 490 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -14.78592 on reference line 480 in /build/reproducible-path/mopac-23.1.2/tests and -14.78628 on output line 490 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -14.49058 on reference line 481 in /build/reproducible-path/mopac-23.1.2/tests and -14.4904 on output line 491 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -14.12013 on reference line 481 in /build/reproducible-path/mopac-23.1.2/tests and -14.12169 on output line 491 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -13.85112 on reference line 481 in /build/reproducible-path/mopac-23.1.2/tests and -13.85053 on output line 491 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -13.79769 on reference line 481 in /build/reproducible-path/mopac-23.1.2/tests and -13.79663 on output line 491 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -13.63189 on reference line 481 in /build/reproducible-path/mopac-23.1.2/tests and -13.63118 on output line 491 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -13.57891 on reference line 481 in /build/reproducible-path/mopac-23.1.2/tests and -13.5819 on output line 491 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -13.10785 on reference line 481 in /build/reproducible-path/mopac-23.1.2/tests and -13.10817 on output line 491 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -12.97628 on reference line 482 in /build/reproducible-path/mopac-23.1.2/tests and -12.97544 on output line 492 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -12.82584 on reference line 482 in /build/reproducible-path/mopac-23.1.2/tests and -12.82451 on output line 492 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -12.33938 on reference line 482 in /build/reproducible-path/mopac-23.1.2/tests and -12.34082 on output line 492 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -11.8686 on reference line 482 in /build/reproducible-path/mopac-23.1.2/tests and -11.86577 on output line 492 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -11.23451 on reference line 482 in /build/reproducible-path/mopac-23.1.2/tests and -11.23393 on output line 492 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -11.01702 on reference line 482 in /build/reproducible-path/mopac-23.1.2/tests and -11.01782 on output line 492 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -10.81164 on reference line 482 in /build/reproducible-path/mopac-23.1.2/tests and -10.81196 on output line 492 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -10.18538 on reference line 482 in /build/reproducible-path/mopac-23.1.2/tests and -10.18487 on output line 492 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.3593 on reference line 483 in /build/reproducible-path/mopac-23.1.2/tests and 1.35885 on output line 493 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.89346 on reference line 483 in /build/reproducible-path/mopac-23.1.2/tests and 1.89385 on output line 493 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 2.80006 on reference line 483 in /build/reproducible-path/mopac-23.1.2/tests and 2.80027 on output line 493 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 2.88294 on reference line 483 in /build/reproducible-path/mopac-23.1.2/tests and 2.88308 on output line 493 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 3.05225 on reference line 483 in /build/reproducible-path/mopac-23.1.2/tests and 3.05255 on output line 493 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 3.73982 on reference line 484 in /build/reproducible-path/mopac-23.1.2/tests and 3.73994 on output line 494 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 4.00024 on reference line 484 in /build/reproducible-path/mopac-23.1.2/tests and 4.0005 on output line 494 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 4.13259 on reference line 484 in /build/reproducible-path/mopac-23.1.2/tests and 4.1328 on output line 494 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 4.46951 on reference line 484 in /build/reproducible-path/mopac-23.1.2/tests and 4.46961 on output line 494 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 4.58897 on reference line 484 in /build/reproducible-path/mopac-23.1.2/tests and 4.58856 on output line 494 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 4.65321 on reference line 484 in /build/reproducible-path/mopac-23.1.2/tests and 4.65303 on output line 494 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 4.78596 on reference line 485 in /build/reproducible-path/mopac-23.1.2/tests and 4.78574 on output line 495 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 4.84147 on reference line 485 in /build/reproducible-path/mopac-23.1.2/tests and 4.84185 on output line 495 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 5.01234 on reference line 485 in /build/reproducible-path/mopac-23.1.2/tests and 5.01196 on output line 495 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 5.12206 on reference line 485 in /build/reproducible-path/mopac-23.1.2/tests and 5.12128 on output line 495 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 5.13122 on reference line 485 in /build/reproducible-path/mopac-23.1.2/tests and 5.1327 on output line 495 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 5.19133 on reference line 485 in /build/reproducible-path/mopac-23.1.2/tests and 5.19108 on output line 495 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 5.28406 on reference line 485 in /build/reproducible-path/mopac-23.1.2/tests and 5.28381 on output line 495 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 5.52496 on reference line 485 in /build/reproducible-path/mopac-23.1.2/tests and 5.52481 on output line 495 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 5.54899 on reference line 486 in /build/reproducible-path/mopac-23.1.2/tests and 5.54913 on output line 496 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 5.71059 on reference line 486 in /build/reproducible-path/mopac-23.1.2/tests and 5.71086 on output line 496 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 5.81068 on reference line 486 in /build/reproducible-path/mopac-23.1.2/tests and 5.81085 on output line 496 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 5.8292 on reference line 486 in /build/reproducible-path/mopac-23.1.2/tests and 5.82904 on output line 496 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 5.90607 on reference line 486 in /build/reproducible-path/mopac-23.1.2/tests and 5.90627 on output line 496 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 6.29771 on reference line 486 in /build/reproducible-path/mopac-23.1.2/tests and 6.29805 on output line 496 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 6.58301 on reference line 486 in /build/reproducible-path/mopac-23.1.2/tests and 6.58329 on output line 496 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 7.24994 on reference line 487 in /build/reproducible-path/mopac-23.1.2/tests and 7.24973 on output line 497 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.664588 on reference line 494 in /build/reproducible-path/mopac-23.1.2/tests and 0.664441 on output line 504 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 3.3354 on reference line 494 in /build/reproducible-path/mopac-23.1.2/tests and 3.3356 on output line 504 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 2.23109 on reference line 494 in /build/reproducible-path/mopac-23.1.2/tests and 2.23123 on output line 504 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.24763 on reference line 497 in /build/reproducible-path/mopac-23.1.2/tests and 0.24748 on output line 507 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 2.67417 on reference line 497 in /build/reproducible-path/mopac-23.1.2/tests and 2.6743 on output line 507 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.755243 on reference line 502 in /build/reproducible-path/mopac-23.1.2/tests and -0.755126 on output line 512 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 4.7552 on reference line 502 in /build/reproducible-path/mopac-23.1.2/tests and 4.7551 on output line 512 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 3.71208 on reference line 502 in /build/reproducible-path/mopac-23.1.2/tests and 3.7119 on output line 512 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.183542 on reference line 507 in /build/reproducible-path/mopac-23.1.2/tests and 0.183331 on output line 517 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.8165 on reference line 507 in /build/reproducible-path/mopac-23.1.2/tests and 0.8167 on output line 517 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.81646 on reference line 507 in /build/reproducible-path/mopac-23.1.2/tests and 0.81667 on output line 517 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.184264 on reference line 509 in /build/reproducible-path/mopac-23.1.2/tests and 0.184546 on output line 519 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.8157 on reference line 509 in /build/reproducible-path/mopac-23.1.2/tests and 0.8155 on output line 519 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.81574 on reference line 509 in /build/reproducible-path/mopac-23.1.2/tests and 0.81545 on output line 519 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 4.771 on reference line 525 in /build/reproducible-path/mopac-23.1.2/tests and 4.776 on output line 535 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -5.424 on reference line 525 in /build/reproducible-path/mopac-23.1.2/tests and -5.426 on output line 535 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 2.478 on reference line 525 in /build/reproducible-path/mopac-23.1.2/tests and 2.47 on output line 535 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 7.637 on reference line 525 in /build/reproducible-path/mopac-23.1.2/tests and 7.639 on output line 535 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.334 on reference line 526 in /build/reproducible-path/mopac-23.1.2/tests and 0.329 on output line 536 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.706 on reference line 526 in /build/reproducible-path/mopac-23.1.2/tests and -0.705 on output line 536 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.199 on reference line 526 in /build/reproducible-path/mopac-23.1.2/tests and 0.2 on output line 536 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.807 on reference line 526 in /build/reproducible-path/mopac-23.1.2/tests and 0.803 on output line 536 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 5.106 on reference line 527 in /build/reproducible-path/mopac-23.1.2/tests and 5.104 on output line 537 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 2.677 on reference line 527 in /build/reproducible-path/mopac-23.1.2/tests and 2.67 on output line 537 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 8.416 on reference line 527 in /build/reproducible-path/mopac-23.1.2/tests and 8.412 on output line 537 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.09826 on reference line 533 in /build/reproducible-path/mopac-23.1.2/tests and 1.09848 on output line 543 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.7836 on reference line 534 in /build/reproducible-path/mopac-23.1.2/tests and 0.78371 on output line 544 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.76166 on reference line 534 in /build/reproducible-path/mopac-23.1.2/tests and 0.76179 on output line 544 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.61161 on reference line 535 in /build/reproducible-path/mopac-23.1.2/tests and 1.61178 on output line 545 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.32106 on reference line 535 in /build/reproducible-path/mopac-23.1.2/tests and 1.32088 on output line 545 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.70983 on reference line 536 in /build/reproducible-path/mopac-23.1.2/tests and 1.71016 on output line 546 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.48323 on reference line 536 in /build/reproducible-path/mopac-23.1.2/tests and 1.48291 on output line 546 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.9148 on reference line 537 in /build/reproducible-path/mopac-23.1.2/tests and 0.91506 on output line 547 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.75545 on reference line 537 in /build/reproducible-path/mopac-23.1.2/tests and 0.75519 on output line 547 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.00391 on reference line 537 in /build/reproducible-path/mopac-23.1.2/tests and 1.00405 on output line 547 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.38411 on reference line 540 in /build/reproducible-path/mopac-23.1.2/tests and 1.38349 on output line 550 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.81829 on reference line 540 in /build/reproducible-path/mopac-23.1.2/tests and 1.81878 on output line 550 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.58 on reference line 541 in /build/reproducible-path/mopac-23.1.2/tests and 1.57933 on output line 551 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.50414 on reference line 541 in /build/reproducible-path/mopac-23.1.2/tests and 1.5047 on output line 551 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.51517 on reference line 541 in /build/reproducible-path/mopac-23.1.2/tests and 1.51528 on output line 551 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.02757 on reference line 542 in /build/reproducible-path/mopac-23.1.2/tests and 1.0271 on output line 552 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.74638 on reference line 542 in /build/reproducible-path/mopac-23.1.2/tests and 1.74652 on output line 552 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.93813 on reference line 542 in /build/reproducible-path/mopac-23.1.2/tests and 0.93828 on output line 552 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.9083 on reference line 544 in /build/reproducible-path/mopac-23.1.2/tests and 0.90811 on output line 554 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.17477 on reference line 544 in /build/reproducible-path/mopac-23.1.2/tests and 1.175 on output line 554 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.93911 on reference line 545 in /build/reproducible-path/mopac-23.1.2/tests and 0.93891 on output line 555 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.14334 on reference line 545 in /build/reproducible-path/mopac-23.1.2/tests and 1.14352 on output line 555 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.16678 on reference line 546 in /build/reproducible-path/mopac-23.1.2/tests and 1.16697 on output line 556 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.94759 on reference line 546 in /build/reproducible-path/mopac-23.1.2/tests and 0.94736 on output line 556 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.81646 on reference line 547 in /build/reproducible-path/mopac-23.1.2/tests and 0.81667 on output line 557 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.81574 on reference line 549 in /build/reproducible-path/mopac-23.1.2/tests and 0.81545 on output line 559 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.325 on reference line 567 in /build/reproducible-path/mopac-23.1.2/tests and -1.324 on output line 577 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -4054.5015 on reference line 576 in /build/reproducible-path/mopac-23.1.2/tests and -4054.5036 on output line 586 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -2306.0618 on reference line 579 in /build/reproducible-path/mopac-23.1.2/tests and -2306.064 on output line 589 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -391.1003 on reference line 583 in /build/reproducible-path/mopac-23.1.2/tests and -391.101 on output line 593 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -162.9682 on reference line 584 in /build/reproducible-path/mopac-23.1.2/tests and -162.9686 on output line 594 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -554.0685 on reference line 586 in /build/reproducible-path/mopac-23.1.2/tests and -554.0697 on output line 596 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 13473.4859 on reference line 588 in /build/reproducible-path/mopac-23.1.2/tests and 13473.2868 on output line 598 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -27163.3213 on reference line 589 in /build/reproducible-path/mopac-23.1.2/tests and -27162.9134 on output line 599 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 13847.8465 on reference line 590 in /build/reproducible-path/mopac-23.1.2/tests and 13847.6409 on output line 600 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between 158.0111 on reference line 592 in /build/reproducible-path/mopac-23.1.2/tests and 158.0143 on output line 602 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -396.0574 on reference line 594 in /build/reproducible-path/mopac-23.1.2/tests and -396.0554 on output line 604 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -27: WARNING: numerical mismatch between -2702.1191 on reference line 596 in /build/reproducible-path/mopac-23.1.2/tests and -2702.1194 on output line 606 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -103: -103: -103: MOPAC Job: "PM6-D3H4.mop" ended normally on Mar 9, 2025, at 22:45. -103: - 95/124 Test #27: erratic-1 ........................ Passed 28.35 sec +18: +18: +18: MOPAC Job: "Compare_PDB_Bacteriorhodopsin_1AP9_and_1C3W.mop" ended normally on Apr 13, 2026, at 07:11. +18: + 85/124 Test #19: pdb_compare4 ..................... Passed 1.74 sec test 106 Start 106: key-PM6-DH2 106: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/keywords" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "PM6-DH2.mop" 106: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/keywords 106: Test timeout computed to be: 10000000 -104: -104: -104: MOPAC Job: "PM6-D3H4X.mop" ended normally on Mar 9, 2025, at 22:45. -104: -103: WARNING: numerical heat mismatch between -84.81306 on reference line 82 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -84.81336 on output line 82 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -103: WARNING: numerical mismatch between -354.85784 on reference line 82 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -354.85911 on output line 82 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -104: WARNING: numerical heat mismatch between -84.81306 on reference line 82 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -84.81336 on output line 82 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -104: WARNING: numerical mismatch between -354.85784 on reference line 82 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -354.85911 on output line 82 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -102: -102: -102: MOPAC Job: "PM6-D3.mop" ended normally on Mar 9, 2025, at 22:45. -102: - 96/124 Test #103: key-PM6-D3H4 ..................... Passed 0.46 sec +101: +101: +101: MOPAC Job: "PM6.mop" ended normally on Apr 13, 2026, at 07:11. +101: +101: WARNING: numerical heat mismatch between -84.81192 on reference line 82 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -84.81223 on output line 82 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +101: WARNING: numerical mismatch between -354.85309 on reference line 82 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -354.85436 on output line 82 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +17: +17: +17: MOPAC Job: "Compare_PDB_Bacteriorhodopsin_1AP9_and_2AT9.mop" ended normally on Apr 13, 2026, at 07:11. +17: + 86/124 Test #101: key-PM6 .......................... Passed 0.20 sec test 107 Start 107: key-PM6-DH2X 107: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/keywords" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "PM6-DH2X.mop" 107: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/keywords 107: Test timeout computed to be: 10000000 -102: WARNING: numerical heat mismatch between -84.88111 on reference line 82 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -84.88142 on output line 82 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -102: WARNING: numerical mismatch between -355.14258 on reference line 82 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -355.14385 on output line 82 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac - 97/124 Test #104: key-PM6-D3H4X .................... Passed 0.43 sec +102: +102: +102: MOPAC Job: "PM6-D3.mop" ended normally on Apr 13, 2026, at 07:11. +102: +105: +105: +105: MOPAC Job: "PM6-DHplus.mop" ended normally on Apr 13, 2026, at 07:11. +105: +103: +103: +103: MOPAC Job: "PM6-D3H4.mop" ended normally on Apr 13, 2026, at 07:11. +103: + 87/124 Test #18: pdb_compare3 ..................... Passed 1.88 sec test 108 Start 108: key-PM7 108: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/keywords" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "PM7.mop" 108: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/keywords 108: Test timeout computed to be: 10000000 -105: -105: -105: MOPAC Job: "PM6-DHplus.mop" ended normally on Mar 9, 2025, at 22:45. -105: - 98/124 Test #102: key-PM6-D3 ....................... Passed 0.57 sec 105: WARNING: numerical heat mismatch between -84.81729 on reference line 87 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -84.8176 on output line 87 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac 105: WARNING: numerical mismatch between -354.87556 on reference line 87 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -354.87683 on output line 87 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +102: WARNING: numerical heat mismatch between -84.88111 on reference line 82 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -84.88142 on output line 82 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +102: WARNING: numerical mismatch between -355.14258 on reference line 82 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -355.14385 on output line 82 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +103: WARNING: numerical heat mismatch between -84.81306 on reference line 82 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -84.81336 on output line 82 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +103: WARNING: numerical mismatch between -354.85784 on reference line 82 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -354.85911 on output line 82 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac + 88/124 Test #105: key-PM6-DHplus ................... Passed 0.19 sec test 109 Start 109: key-PM7-TS 109: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/keywords" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "PM7-TS.mop" 109: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/keywords 109: Test timeout computed to be: 10000000 - 99/124 Test #105: key-PM6-DHplus ................... Passed 0.42 sec + 89/124 Test #102: key-PM6-D3 ....................... Passed 0.24 sec test 110 Start 110: key-QUARTET 110: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/keywords" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "QUARTET.mop" 110: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/keywords 110: Test timeout computed to be: 10000000 -21: -21: -21: MOPAC Job: "Compare_PDB_Bacteriorhodopsin_1AP9_and_1AT9.mop" ended normally on Mar 9, 2025, at 22:45. -21: -108: -108: -108: MOPAC Job: "PM7.mop" ended normally on Mar 9, 2025, at 22:45. -108: -108: WARNING: numerical heat mismatch between -84.51541 on reference line 82 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -84.51572 on output line 82 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -108: WARNING: numerical mismatch between -353.61248 on reference line 82 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -353.61376 on output line 82 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -100/124 Test #108: key-PM7 .......................... Passed 0.30 sec + 90/124 Test #103: key-PM6-D3H4 ..................... Passed 0.23 sec test 111 Start 111: key-QUINTET 111: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/keywords" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "QUINTET.mop" 111: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/keywords 111: Test timeout computed to be: 10000000 -109: -109: -109: MOPAC Job: "PM7-TS.mop" ended normally on Mar 9, 2025, at 22:45. -109: -109: WARNING: numerical heat mismatch between -40.84667 on reference line 70 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -40.84694 on output line 70 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -109: WARNING: numerical mismatch between -170.90245 on reference line 70 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -170.90361 on output line 70 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -101/124 Test #109: key-PM7-TS ....................... Passed 0.32 sec +106: +106: +106: MOPAC Job: "PM6-DH2.mop" ended normally on Apr 13, 2026, at 07:11. +106: +20: +20: +20: MOPAC Job: "Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRR.mop" ended normally on Apr 13, 2026, at 07:11. +20: + 91/124 Test #17: pdb_compare2 ..................... Passed 1.98 sec test 112 Start 112: key-RHF 112: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/keywords" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "RHF.mop" 112: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/keywords 112: Test timeout computed to be: 10000000 -107: -107: -107: MOPAC Job: "PM6-DH2X.mop" ended normally on Mar 9, 2025, at 22:45. -107: -106: -106: -106: MOPAC Job: "PM6-DH2.mop" ended normally on Mar 9, 2025, at 22:45. -106: -107: WARNING: numerical heat mismatch between -84.81729 on reference line 82 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -84.8176 on output line 82 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -107: WARNING: numerical mismatch between -354.87556 on reference line 82 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -354.87683 on output line 82 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac 106: WARNING: numerical heat mismatch between -84.81729 on reference line 82 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -84.8176 on output line 82 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac 106: WARNING: numerical mismatch between -354.87556 on reference line 82 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -354.87683 on output line 82 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -102/124 Test #21: pdb_compare6 ..................... Passed 25.81 sec +76: +76: +76: MOPAC Job: "CdotAdotSdot.mop" ended normally on Apr 13, 2026, at 07:11. +76: + 92/124 Test #106: key-PM6-DH2 ...................... Passed 0.19 sec +104: +104: +104: MOPAC Job: "PM6-D3H4X.mop" ended normally on Apr 13, 2026, at 07:11. +104: test 113 Start 113: key-RM1 113: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/keywords" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "RM1.mop" 113: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/keywords 113: Test timeout computed to be: 10000000 -103/124 Test #107: key-PM6-DH2X ..................... Passed 0.56 sec +104: WARNING: numerical heat mismatch between -84.81306 on reference line 82 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -84.81336 on output line 82 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +104: WARNING: numerical mismatch between -354.85784 on reference line 82 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -354.85911 on output line 82 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +107: +107: +107: MOPAC Job: "PM6-DH2X.mop" ended normally on Apr 13, 2026, at 07:11. +107: + 93/124 Test #104: key-PM6-D3H4X .................... Passed 0.32 sec test 114 Start 114: key-ROOT 114: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/keywords" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "ROOT.mop" 114: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/keywords 114: Test timeout computed to be: 10000000 -104/124 Test #106: key-PM6-DH2 ...................... Passed 0.66 sec +107: WARNING: numerical heat mismatch between -84.81729 on reference line 82 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -84.8176 on output line 82 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +107: WARNING: numerical mismatch between -354.87556 on reference line 82 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -354.87683 on output line 82 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac + 94/124 Test #76: key-CdotAdotSdot ................. Passed 2.14 sec test 115 Start 115: key-SEPTET 115: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/keywords" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "SEPTET.mop" 115: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/keywords 115: Test timeout computed to be: 10000000 -110: -110: -110: MOPAC Job: "QUARTET.mop" ended normally on Mar 9, 2025, at 22:45. -110: -110: WARNING: numerical heat mismatch between 126.90707 on reference line 73 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 126.90725 on output line 73 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -110: WARNING: numerical mismatch between 530.97919 on reference line 73 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 530.97994 on output line 73 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -110: WARNING: numerical heat mismatch between 126.90707 on reference line 222 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 126.90725 on output line 222 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -110: WARNING: numerical mismatch between 530.97919 on reference line 222 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 530.97994 on output line 222 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -110: WARNING: numerical heat mismatch between 125.20262 on reference line 374 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 125.20272 on output line 374 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -110: WARNING: numerical mismatch between 523.84776 on reference line 374 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 523.84819 on output line 374 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -110: WARNING: numerical heat mismatch between 125.20262 on reference line 535 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 125.20272 on output line 535 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -110: WARNING: numerical mismatch between 523.84776 on reference line 535 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 523.84819 on output line 535 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -113: -113: -113: MOPAC Job: "RM1.mop" ended normally on Mar 9, 2025, at 22:45. -113: -113: WARNING: numerical heat mismatch between -81.55398 on reference line 80 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -81.55429 on output line 80 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -113: WARNING: numerical mismatch between -341.22185 on reference line 80 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -341.22315 on output line 80 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -105/124 Test #113: key-RM1 .......................... Passed 0.37 sec + 95/124 Test #20: pdb_compare5 ..................... Passed 2.01 sec + 96/124 Test #107: key-PM6-DH2X ..................... Passed 0.20 sec test 116 Start 116: key-SEXTET 116: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/keywords" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "SEXTET.mop" 116: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/keywords 116: Test timeout computed to be: 10000000 -106/124 Test #110: key-QUARTET ...................... Passed 0.78 sec test 117 Start 117: key-SINGLET 117: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/keywords" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "SINGLET.mop" 117: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/keywords 117: Test timeout computed to be: 10000000 -111: -111: -111: MOPAC Job: "QUINTET.mop" ended normally on Mar 9, 2025, at 22:45. -111: -112: -112: -112: MOPAC Job: "RHF.mop" ended normally on Mar 9, 2025, at 22:45. -112: -111: WARNING: numerical heat mismatch between 704.89987 on reference line 73 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 704.90046 on output line 73 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -111: WARNING: numerical mismatch between 2949.30106 on reference line 73 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 2949.30352 on output line 73 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -111: WARNING: numerical heat mismatch between 704.89987 on reference line 222 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 704.90046 on output line 222 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -111: WARNING: numerical mismatch between 2949.30106 on reference line 222 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 2949.30352 on output line 222 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -111: WARNING: numerical heat mismatch between 708.35733 on reference line 374 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 708.35793 on output line 374 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -111: WARNING: numerical mismatch between 2963.76706 on reference line 374 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 2963.76957 on output line 374 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -111: WARNING: numerical heat mismatch between 708.35733 on reference line 535 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 708.35793 on output line 535 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -111: WARNING: numerical mismatch between 2963.76706 on reference line 535 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 2963.76957 on output line 535 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -112: WARNING: numerical heat mismatch between -61.93555 on reference line 80 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -61.93566 on output line 80 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -112: WARNING: numerical mismatch between -259.13834 on reference line 80 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -259.1388 on output line 80 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -112: WARNING: numerical mismatch between 32.92723 on reference line 230 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 32.92687 on output line 230 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -107/124 Test #111: key-QUINTET ...................... Passed 0.72 sec +108: +108: +108: MOPAC Job: "PM7.mop" ended normally on Apr 13, 2026, at 07:11. +108: +109: +109: +109: MOPAC Job: "PM7-TS.mop" ended normally on Apr 13, 2026, at 07:11. +109: +108: WARNING: numerical heat mismatch between -84.51541 on reference line 82 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -84.51572 on output line 82 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +108: WARNING: numerical mismatch between -353.61248 on reference line 82 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -353.61376 on output line 82 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +109: WARNING: numerical heat mismatch between -40.84667 on reference line 70 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -40.84694 on output line 70 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +109: WARNING: numerical mismatch between -170.90245 on reference line 70 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -170.90361 on output line 70 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac + 97/124 Test #108: key-PM7 .......................... Passed 0.20 sec test 118 Start 118: key-SNAP 118: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/keywords" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "SNAP.mop" 118: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/keywords 118: Test timeout computed to be: 10000000 -108/124 Test #112: key-RHF .......................... Passed 0.66 sec + 98/124 Test #109: key-PM7-TS ....................... Passed 0.19 sec test 119 Start 119: key-SYMMETRY 119: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/keywords" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "SYMMETRY.mop" 119: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/keywords 119: Test timeout computed to be: 10000000 -116: -116: -116: MOPAC Job: "SEXTET.mop" ended normally on Mar 9, 2025, at 22:45. -116: -115: -115: -115: MOPAC Job: "SEPTET.mop" ended normally on Mar 9, 2025, at 22:45. -115: -117: -117: -117: MOPAC Job: "SINGLET.mop" ended normally on Mar 9, 2025, at 22:45. -117: -117: WARNING: numerical mismatch between -35.54835 on reference line 85 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -35.54877 on output line 85 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -117: WARNING: numerical mismatch between 59.76507 on reference line 273 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 59.76473 on output line 273 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -116: WARNING: numerical heat mismatch between 1352.10281 on reference line 73 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 1352.10392 on output line 73 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -116: WARNING: numerical mismatch between 5657.19815 on reference line 73 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 5657.2028 on output line 73 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -116: WARNING: numerical heat mismatch between 1352.10281 on reference line 222 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 1352.10392 on output line 222 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -116: WARNING: numerical mismatch between 5657.19815 on reference line 222 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 5657.2028 on output line 222 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -116: WARNING: numerical heat mismatch between 1352.1869 on reference line 374 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 1352.18802 on output line 374 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -116: WARNING: numerical mismatch between 5657.55001 on reference line 374 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 5657.55466 on output line 374 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -116: WARNING: numerical heat mismatch between 1352.1869 on reference line 535 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 1352.18802 on output line 535 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -116: WARNING: numerical mismatch between 5657.55001 on reference line 535 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 5657.55466 on output line 535 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -109/124 Test #117: key-SINGLET ...................... Passed 0.57 sec +110: +110: +110: MOPAC Job: "QUARTET.mop" ended normally on Apr 13, 2026, at 07:11. +110: +113: +113: +113: MOPAC Job: "RM1.mop" ended normally on Apr 13, 2026, at 07:11. +113: +110: WARNING: numerical heat mismatch between 126.90707 on reference line 73 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 126.90725 on output line 73 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +110: WARNING: numerical mismatch between 530.97919 on reference line 73 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 530.97994 on output line 73 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +110: WARNING: numerical heat mismatch between 126.90707 on reference line 222 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 126.90725 on output line 222 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +110: WARNING: numerical mismatch between 530.97919 on reference line 222 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 530.97994 on output line 222 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +110: WARNING: numerical heat mismatch between 125.20262 on reference line 374 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 125.20272 on output line 374 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +110: WARNING: numerical mismatch between 523.84776 on reference line 374 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 523.84819 on output line 374 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +110: WARNING: numerical heat mismatch between 125.20262 on reference line 535 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 125.20272 on output line 535 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +110: WARNING: numerical mismatch between 523.84776 on reference line 535 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 523.84819 on output line 535 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +113: WARNING: numerical heat mismatch between -81.55398 on reference line 80 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -81.55429 on output line 80 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +113: WARNING: numerical mismatch between -341.22185 on reference line 80 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -341.22315 on output line 80 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac + 99/124 Test #110: key-QUARTET ...................... Passed 0.25 sec test 120 Start 120: key-TDIP 120: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/keywords" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "TDIP.mop" 120: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/keywords 120: Test timeout computed to be: 10000000 -115: WARNING: numerical heat mismatch between 1293.36484 on reference line 73 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 1293.3659 on output line 73 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -115: WARNING: numerical mismatch between 5411.43848 on reference line 73 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 5411.44291 on output line 73 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -115: WARNING: numerical heat mismatch between 1293.36484 on reference line 222 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 1293.3659 on output line 222 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -115: WARNING: numerical mismatch between 5411.43848 on reference line 222 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 5411.44291 on output line 222 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -115: WARNING: numerical heat mismatch between 1298.14481 on reference line 374 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 1298.14588 on output line 374 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -115: WARNING: numerical mismatch between 5431.4379 on reference line 374 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 5431.44236 on output line 374 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -115: WARNING: numerical heat mismatch between 1298.14481 on reference line 535 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 1298.14588 on output line 535 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -115: WARNING: numerical mismatch between 5431.4379 on reference line 535 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 5431.44236 on output line 535 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -110/124 Test #116: key-SEXTET ....................... Passed 0.61 sec +112: +112: +112: MOPAC Job: "RHF.mop" ended normally on Apr 13, 2026, at 07:11. +112: +100/124 Test #113: key-RM1 .......................... Passed 0.21 sec test 121 Start 121: key-TRIPLET 121: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/keywords" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "TRIPLET.mop" 121: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/keywords 121: Test timeout computed to be: 10000000 -118: -118: -118: MOPAC Job: "SNAP.mop" ended normally on Mar 9, 2025, at 22:45. -118: -111/124 Test #115: key-SEPTET ....................... Passed 0.97 sec +111: +111: +111: MOPAC Job: "QUINTET.mop" ended normally on Apr 13, 2026, at 07:11. +111: +112: WARNING: numerical heat mismatch between -61.93555 on reference line 80 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -61.93566 on output line 80 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +112: WARNING: numerical mismatch between -259.13834 on reference line 80 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -259.1388 on output line 80 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +112: WARNING: numerical mismatch between 32.92723 on reference line 230 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 32.92687 on output line 230 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +111: WARNING: numerical heat mismatch between 704.89987 on reference line 73 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 704.90046 on output line 73 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +111: WARNING: numerical mismatch between 2949.30106 on reference line 73 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 2949.30352 on output line 73 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +111: WARNING: numerical heat mismatch between 704.89987 on reference line 222 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 704.90046 on output line 222 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +111: WARNING: numerical mismatch between 2949.30106 on reference line 222 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 2949.30352 on output line 222 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +111: WARNING: numerical heat mismatch between 708.35733 on reference line 374 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 708.35793 on output line 374 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +111: WARNING: numerical mismatch between 2963.76706 on reference line 374 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 2963.76957 on output line 374 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +111: WARNING: numerical heat mismatch between 708.35733 on reference line 535 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 708.35793 on output line 535 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +111: WARNING: numerical mismatch between 2963.76706 on reference line 535 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 2963.76957 on output line 535 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +101/124 Test #112: key-RHF .......................... Passed 0.71 sec test 122 Start 122: key-UHF 122: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/keywords" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "UHF.mop" 122: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/keywords 122: Test timeout computed to be: 10000000 -118: WARNING: numerical heat mismatch between -14.37282 on reference line 75 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -14.37315 on output line 75 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -118: WARNING: numerical mismatch between -60.13588 on reference line 75 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -60.13724 on output line 75 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -118: WARNING: numerical heat mismatch between -14.37287 on reference line 227 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -14.3732 on output line 227 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -118: WARNING: numerical mismatch between -60.13611 on reference line 227 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -60.13747 on output line 227 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -118: WARNING: numerical heat mismatch between -14.37287 on reference line 378 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -14.3732 on output line 378 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -118: WARNING: numerical mismatch between -60.13611 on reference line 378 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -60.13747 on output line 378 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -112/124 Test #118: key-SNAP ......................... Passed 0.72 sec +102/124 Test #111: key-QUINTET ...................... Passed 0.75 sec test 123 Start 123: key-WRTCI 123: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/keywords" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "WRTCI.mop" 123: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/keywords 123: Test timeout computed to be: 10000000 -119: -119: -119: MOPAC Job: "SYMMETRY.mop" ended normally on Mar 9, 2025, at 22:45. -119: -119: WARNING: numerical heat mismatch between 16.84931 on reference line 98 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 16.84886 on output line 98 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -119: WARNING: numerical mismatch between 70.49749 on reference line 98 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 70.49565 on output line 98 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -119: WARNING: numerical heat mismatch between 13.85544 on reference line 293 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 13.855 on output line 293 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -119: WARNING: numerical mismatch between 57.97116 on reference line 293 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 57.9693 on output line 293 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -119: WARNING: numerical heat mismatch between -84.51541 on reference line 469 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -84.51572 on output line 469 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -119: WARNING: numerical mismatch between -353.61248 on reference line 469 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -353.61376 on output line 469 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -119: WARNING: numerical heat mismatch between 67.02171 on reference line 637 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 67.02152 on output line 637 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -119: WARNING: numerical mismatch between 280.41882 on reference line 637 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 280.41805 on output line 637 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -119: WARNING: numerical heat mismatch between 66.85441 on reference line 805 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 66.85422 on output line 805 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -119: WARNING: numerical mismatch between 279.71884 on reference line 805 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 279.71807 on output line 805 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -113/124 Test #119: key-SYMMETRY ..................... Passed 0.94 sec +117: +117: +117: MOPAC Job: "SINGLET.mop" ended normally on Apr 13, 2026, at 07:11. +117: +117: WARNING: numerical mismatch between -35.54835 on reference line 85 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -35.54877 on output line 85 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +117: WARNING: numerical mismatch between 59.76507 on reference line 273 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 59.76473 on output line 273 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +116: +116: +116: MOPAC Job: "SEXTET.mop" ended normally on Apr 13, 2026, at 07:11. +116: +103/124 Test #117: key-SINGLET ...................... Passed 0.67 sec test 124 Start 124: key-WRTCONF 124: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.1.2/tests/run_test.py" "/build/reproducible-path/mopac-23.1.2/tests/keywords" "/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac" "0.01" "WRTCONF.mop" 124: Working Directory: /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/tests/keywords 124: Test timeout computed to be: 10000000 +118: +118: +118: MOPAC Job: "SNAP.mop" ended normally on Apr 13, 2026, at 07:11. +118: +116: WARNING: numerical heat mismatch between 1352.10281 on reference line 73 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 1352.10392 on output line 73 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +116: WARNING: numerical mismatch between 5657.19815 on reference line 73 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 5657.2028 on output line 73 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +116: WARNING: numerical heat mismatch between 1352.10281 on reference line 222 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 1352.10392 on output line 222 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +116: WARNING: numerical mismatch between 5657.19815 on reference line 222 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 5657.2028 on output line 222 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +116: WARNING: numerical heat mismatch between 1352.1869 on reference line 374 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 1352.18802 on output line 374 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +116: WARNING: numerical mismatch between 5657.55001 on reference line 374 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 5657.55466 on output line 374 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +116: WARNING: numerical heat mismatch between 1352.1869 on reference line 535 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 1352.18802 on output line 535 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +116: WARNING: numerical mismatch between 5657.55001 on reference line 535 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 5657.55466 on output line 535 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +118: WARNING: numerical heat mismatch between -14.37282 on reference line 75 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -14.37315 on output line 75 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +118: WARNING: numerical mismatch between -60.13588 on reference line 75 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -60.13724 on output line 75 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +118: WARNING: numerical heat mismatch between -14.37287 on reference line 227 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -14.3732 on output line 227 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +118: WARNING: numerical mismatch between -60.13611 on reference line 227 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -60.13747 on output line 227 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +118: WARNING: numerical heat mismatch between -14.37287 on reference line 378 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -14.3732 on output line 378 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +118: WARNING: numerical mismatch between -60.13611 on reference line 378 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -60.13747 on output line 378 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +104/124 Test #116: key-SEXTET ....................... Passed 0.73 sec +105/124 Test #118: key-SNAP ......................... Passed 0.70 sec +119: +119: +119: MOPAC Job: "SYMMETRY.mop" ended normally on Apr 13, 2026, at 07:11. +119: 120: 120: -120: MOPAC Job: "TDIP.mop" ended normally on Mar 9, 2025, at 22:45. +120: MOPAC Job: "TDIP.mop" ended normally on Apr 13, 2026, at 07:11. 120: -114/124 Test #120: key-TDIP ......................... Passed 0.82 sec +106/124 Test #120: key-TDIP ......................... Passed 0.66 sec 121: 121: -121: MOPAC Job: "TRIPLET.mop" ended normally on Mar 9, 2025, at 22:45. +121: MOPAC Job: "TRIPLET.mop" ended normally on Apr 13, 2026, at 07:11. 121: -123: -123: -123: MOPAC Job: "WRTCI.mop" ended normally on Mar 9, 2025, at 22:45. -123: 122: 122: -122: MOPAC Job: "UHF.mop" ended normally on Mar 9, 2025, at 22:45. +122: MOPAC Job: "UHF.mop" ended normally on Apr 13, 2026, at 07:11. 122: +119: WARNING: numerical heat mismatch between 16.84931 on reference line 98 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 16.84886 on output line 98 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +119: WARNING: numerical mismatch between 70.49749 on reference line 98 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 70.49565 on output line 98 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +119: WARNING: numerical heat mismatch between 13.85544 on reference line 293 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 13.855 on output line 293 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +119: WARNING: numerical mismatch between 57.97116 on reference line 293 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 57.9693 on output line 293 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +119: WARNING: numerical heat mismatch between -84.51541 on reference line 469 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -84.51572 on output line 469 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +119: WARNING: numerical mismatch between -353.61248 on reference line 469 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -353.61376 on output line 469 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +119: WARNING: numerical heat mismatch between 67.02171 on reference line 637 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 67.02152 on output line 637 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +119: WARNING: numerical mismatch between 280.41882 on reference line 637 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 280.41805 on output line 637 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +119: WARNING: numerical heat mismatch between 66.85441 on reference line 805 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 66.85422 on output line 805 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +119: WARNING: numerical mismatch between 279.71884 on reference line 805 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 279.71807 on output line 805 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +122: WARNING: numerical heat mismatch between -61.93555 on reference line 80 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -61.93566 on output line 80 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +122: WARNING: numerical mismatch between -259.13836 on reference line 80 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -259.13882 on output line 80 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +122: WARNING: numerical mismatch between 30.36323 on reference line 244 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 30.36287 on output line 244 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac 121: WARNING: numerical heat mismatch between 93.14412 on reference line 73 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 93.14423 on output line 73 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac 121: WARNING: numerical mismatch between 389.71498 on reference line 73 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 389.71545 on output line 73 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac 121: WARNING: numerical heat mismatch between 93.14412 on reference line 222 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 93.14423 on output line 222 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac @@ -3854,34 +3534,467 @@ 121: WARNING: numerical mismatch between 393.55788 on reference line 374 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 393.55834 on output line 374 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac 121: WARNING: numerical heat mismatch between 94.06259 on reference line 535 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 94.0627 on output line 535 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac 121: WARNING: numerical mismatch between 393.55788 on reference line 535 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 393.55834 on output line 535 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -122: WARNING: numerical heat mismatch between -61.93555 on reference line 80 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -61.93566 on output line 80 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -122: WARNING: numerical mismatch between -259.13836 on reference line 80 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -259.13882 on output line 80 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -122: WARNING: numerical mismatch between 30.36323 on reference line 244 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 30.36287 on output line 244 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -115/124 Test #123: key-WRTCI ........................ Passed 0.71 sec +107/124 Test #119: key-SYMMETRY ..................... Passed 0.78 sec +108/124 Test #122: key-UHF .......................... Passed 0.22 sec +123: +123: +123: MOPAC Job: "WRTCI.mop" ended normally on Apr 13, 2026, at 07:11. +123: +115: +115: +115: MOPAC Job: "SEPTET.mop" ended normally on Apr 13, 2026, at 07:11. +115: +109/124 Test #121: key-TRIPLET ...................... Passed 0.70 sec 124: 124: -124: MOPAC Job: "WRTCONF.mop" ended normally on Mar 9, 2025, at 22:45. +124: MOPAC Job: "WRTCONF.mop" ended normally on Apr 13, 2026, at 07:11. 124: -116/124 Test #121: key-TRIPLET ...................... Passed 0.99 sec -117/124 Test #122: key-UHF .......................... Passed 0.98 sec -118/124 Test #124: key-WRTCONF ...................... Passed 0.61 sec +110/124 Test #123: key-WRTCI ........................ Passed 0.24 sec +115: WARNING: numerical heat mismatch between 1293.36484 on reference line 73 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 1293.3659 on output line 73 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +115: WARNING: numerical mismatch between 5411.43848 on reference line 73 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 5411.44291 on output line 73 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +115: WARNING: numerical heat mismatch between 1293.36484 on reference line 222 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 1293.3659 on output line 222 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +115: WARNING: numerical mismatch between 5411.43848 on reference line 222 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 5411.44291 on output line 222 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +115: WARNING: numerical heat mismatch between 1298.14481 on reference line 374 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 1298.14588 on output line 374 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +115: WARNING: numerical mismatch between 5431.4379 on reference line 374 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 5431.44236 on output line 374 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +115: WARNING: numerical heat mismatch between 1298.14481 on reference line 535 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 1298.14588 on output line 535 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +115: WARNING: numerical mismatch between 5431.4379 on reference line 535 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 5431.44236 on output line 535 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +111/124 Test #124: key-WRTCONF ...................... Passed 0.21 sec +112/124 Test #115: key-SEPTET ....................... Passed 0.92 sec +59: +59: +59: MOPAC Job: "poly_c8.mop" ended normally on Apr 13, 2026, at 07:11. +59: +113/124 Test #59: poly_c8 .......................... Passed 3.57 sec +32: +32: +32: MOPAC Job: "ag20_cis_active.mop" ended normally on Apr 13, 2026, at 07:11. +32: +32: WARNING: numerical mismatch between 2.918 on reference line 69 in /build/reproducible-path/mopac-23.1.2/tests/INDO-dev and 2.9179 on output line 69 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +32: WARNING: numerical mismatch between 2.918 on reference line 70 in /build/reproducible-path/mopac-23.1.2/tests/INDO-dev and 2.9179 on output line 70 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +32: WARNING: numerical mismatch between 2.918 on reference line 71 in /build/reproducible-path/mopac-23.1.2/tests/INDO-dev and 2.9179 on output line 71 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +114/124 Test #32: ag20_cis_active .................. Passed 6.42 sec 82: 82: -82: MOPAC Job: "CISDT.mop" ended normally on Mar 9, 2025, at 22:45. +82: MOPAC Job: "CISDT.mop" ended normally on Apr 13, 2026, at 07:11. 82: 82: WARNING: numerical heat mismatch between 6.52314 on reference line 78 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 6.52269 on output line 78 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac 82: WARNING: numerical mismatch between 27.29281 on reference line 78 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 27.29093 on output line 78 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac 82: WARNING: numerical heat mismatch between 6.58382 on reference line 1857 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 6.58337 on output line 1857 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac 82: WARNING: numerical mismatch between 27.54671 on reference line 1857 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 27.54483 on output line 1857 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -119/124 Test #82: key-CISDT ........................ Passed 13.99 sec +115/124 Test #82: key-CISDT ........................ Passed 5.22 sec +30: Passed API test 10 +116/124 Test #30: mopac-api-test ................... Passed 8.70 sec +28: +28: +28: MOPAC Job: "erratic2.mop" ended normally on Apr 13, 2026, at 07:11. +28: +21: +21: +21: MOPAC Job: "Compare_PDB_Bacteriorhodopsin_1AP9_and_1AT9.mop" ended normally on Apr 13, 2026, at 07:11. +21: +117/124 Test #28: erratic-2 ........................ Passed 8.95 sec +118/124 Test #21: pdb_compare6 ..................... Passed 6.94 sec 60: 60: -60: MOPAC Job: "poly_c8_mr.mop" ended normally on Mar 9, 2025, at 22:45. +60: MOPAC Job: "poly_c8_mr.mop" ended normally on Apr 13, 2026, at 07:11. 60: -120/124 Test #60: poly_c8_mr ....................... Passed 32.60 sec +119/124 Test #60: poly_c8_mr ....................... Passed 8.79 sec +27: +27: +27: MOPAC Job: "erratic1.mop" ended normally on Apr 13, 2026, at 07:11. +27: +27: WARNING: numerical heat mismatch between -167.66206 on reference line 360 in /build/reproducible-path/mopac-23.1.2/tests and -167.67635 on output line 420 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -701.49806 on reference line 360 in /build/reproducible-path/mopac-23.1.2/tests and -701.55787 on output line 420 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -62312.34782 on reference line 362 in /build/reproducible-path/mopac-23.1.2/tests and -62312.35841 on output line 422 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -160.75863 on reference line 364 in /build/reproducible-path/mopac-23.1.2/tests and -160.76922 on output line 424 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -5.57884 on reference line 365 in /build/reproducible-path/mopac-23.1.2/tests and -5.57802 on output line 425 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.32459 on reference line 366 in /build/reproducible-path/mopac-23.1.2/tests and -1.32911 on output line 426 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -167.66206 on reference line 367 in /build/reproducible-path/mopac-23.1.2/tests and -167.67635 on output line 427 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -2702.11915 on reference line 372 in /build/reproducible-path/mopac-23.1.2/tests and -2702.11961 on output line 432 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -16549.96563 on reference line 373 in /build/reproducible-path/mopac-23.1.2/tests and -16548.46391 on output line 433 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 13847.84648 on reference line 374 in /build/reproducible-path/mopac-23.1.2/tests and 13846.3443 on output line 434 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 230.06 on reference line 375 in /build/reproducible-path/mopac-23.1.2/tests and 230.4 on output line 435 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 254.54 on reference line 376 in /build/reproducible-path/mopac-23.1.2/tests and 254.76 on output line 436 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 8.208041 on reference line 379 in /build/reproducible-path/mopac-23.1.2/tests and 8.20837 on output line 439 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -2.59953271 on reference line 403 in /build/reproducible-path/mopac-23.1.2/tests and -2.60292291 on output line 463 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -2.77575526 on reference line 403 in /build/reproducible-path/mopac-23.1.2/tests and -2.77350216 on output line 463 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.41403348 on reference line 403 in /build/reproducible-path/mopac-23.1.2/tests and -0.41212892 on output line 463 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.87686704 on reference line 404 in /build/reproducible-path/mopac-23.1.2/tests and -1.87377616 on output line 464 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.57709686 on reference line 404 in /build/reproducible-path/mopac-23.1.2/tests and -1.57853173 on output line 464 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.11334803 on reference line 404 in /build/reproducible-path/mopac-23.1.2/tests and 0.11448277 on output line 464 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.5710808 on reference line 405 in /build/reproducible-path/mopac-23.1.2/tests and -1.57048267 on output line 465 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.40333884 on reference line 405 in /build/reproducible-path/mopac-23.1.2/tests and -1.40317 on output line 465 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.27574228 on reference line 405 in /build/reproducible-path/mopac-23.1.2/tests and 1.27726159 on output line 465 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.60327578 on reference line 406 in /build/reproducible-path/mopac-23.1.2/tests and -1.59507178 on output line 466 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.71421711 on reference line 406 in /build/reproducible-path/mopac-23.1.2/tests and -0.71832006 on output line 466 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.85842567 on reference line 406 in /build/reproducible-path/mopac-23.1.2/tests and -0.85831478 on output line 466 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.89666343 on reference line 407 in /build/reproducible-path/mopac-23.1.2/tests and -0.89389223 on output line 467 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.54570105 on reference line 407 in /build/reproducible-path/mopac-23.1.2/tests and 0.54448871 on output line 467 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.52366121 on reference line 407 in /build/reproducible-path/mopac-23.1.2/tests and -0.52278845 on output line 467 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.39949204 on reference line 408 in /build/reproducible-path/mopac-23.1.2/tests and -1.40227852 on output line 468 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.43423735 on reference line 408 in /build/reproducible-path/mopac-23.1.2/tests and 1.43294866 on output line 468 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.68105693 on reference line 408 in /build/reproducible-path/mopac-23.1.2/tests and -1.67767473 on output line 468 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.00548105 on reference line 409 in /build/reproducible-path/mopac-23.1.2/tests and -1.01505352 on output line 469 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 2.87491828 on reference line 409 in /build/reproducible-path/mopac-23.1.2/tests and 2.87516927 on output line 469 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.49999724 on reference line 409 in /build/reproducible-path/mopac-23.1.2/tests and -1.4940882 on output line 469 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.27371739 on reference line 410 in /build/reproducible-path/mopac-23.1.2/tests and 0.26225076 on output line 470 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 3.11422137 on reference line 410 in /build/reproducible-path/mopac-23.1.2/tests and 3.1200191 on output line 470 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.13548835 on reference line 410 in /build/reproducible-path/mopac-23.1.2/tests and -1.12682542 on output line 470 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.73362283 on reference line 411 in /build/reproducible-path/mopac-23.1.2/tests and -1.74730329 on output line 471 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 3.81609528 on reference line 411 in /build/reproducible-path/mopac-23.1.2/tests and 3.81311457 on output line 471 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.67831486 on reference line 411 in /build/reproducible-path/mopac-23.1.2/tests and -1.67266326 on output line 471 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.5358667 on reference line 412 in /build/reproducible-path/mopac-23.1.2/tests and 0.53937406 on output line 472 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.35294005 on reference line 412 in /build/reproducible-path/mopac-23.1.2/tests and 0.35776664 on output line 472 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.54430006 on reference line 412 in /build/reproducible-path/mopac-23.1.2/tests and -0.54647601 on output line 472 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.33584851 on reference line 413 in /build/reproducible-path/mopac-23.1.2/tests and 1.34104283 on output line 473 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.61785947 on reference line 413 in /build/reproducible-path/mopac-23.1.2/tests and 0.61350998 on output line 473 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.57486784 on reference line 414 in /build/reproducible-path/mopac-23.1.2/tests and 1.57874395 on output line 474 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.37112909 on reference line 414 in /build/reproducible-path/mopac-23.1.2/tests and -1.37217627 on output line 474 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.81847858 on reference line 414 in /build/reproducible-path/mopac-23.1.2/tests and 0.80829333 on output line 474 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 2.68336068 on reference line 415 in /build/reproducible-path/mopac-23.1.2/tests and 2.68877292 on output line 475 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.76935628 on reference line 415 in /build/reproducible-path/mopac-23.1.2/tests and 0.76875605 on output line 475 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.4261294 on reference line 415 in /build/reproducible-path/mopac-23.1.2/tests and 0.42201757 on output line 475 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.73060349 on reference line 416 in /build/reproducible-path/mopac-23.1.2/tests and 0.73809407 on output line 476 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.661907 on reference line 416 in /build/reproducible-path/mopac-23.1.2/tests and 0.65788709 on output line 476 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.877465 on reference line 416 in /build/reproducible-path/mopac-23.1.2/tests and 1.87595948 on output line 476 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -2.83813135 on reference line 417 in /build/reproducible-path/mopac-23.1.2/tests and -2.59648473 on output line 477 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -2.68231128 on reference line 417 in /build/reproducible-path/mopac-23.1.2/tests and -2.81484301 on output line 477 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.48424696 on reference line 417 in /build/reproducible-path/mopac-23.1.2/tests and -1.51163643 on output line 477 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.99139435 on reference line 418 in /build/reproducible-path/mopac-23.1.2/tests and -2.15649954 on output line 478 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -3.68192697 on reference line 418 in /build/reproducible-path/mopac-23.1.2/tests and -3.70178253 on output line 478 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.28044258 on reference line 418 in /build/reproducible-path/mopac-23.1.2/tests and -0.02816532 on output line 478 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -3.54098093 on reference line 419 in /build/reproducible-path/mopac-23.1.2/tests and -3.65345074 on output line 479 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -2.92814342 on reference line 419 in /build/reproducible-path/mopac-23.1.2/tests and -2.75369564 on output line 479 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.13597889 on reference line 419 in /build/reproducible-path/mopac-23.1.2/tests and -0.08209082 on output line 479 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.32611074 on reference line 420 in /build/reproducible-path/mopac-23.1.2/tests and -1.32272963 on output line 480 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.88447283 on reference line 420 in /build/reproducible-path/mopac-23.1.2/tests and 0.88008057 on output line 480 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.44505802 on reference line 420 in /build/reproducible-path/mopac-23.1.2/tests and 0.4473327 on output line 480 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.00536182 on reference line 421 in /build/reproducible-path/mopac-23.1.2/tests and -1.00748949 on output line 481 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.05545018 on reference line 421 in /build/reproducible-path/mopac-23.1.2/tests and 1.0581902 on output line 481 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -2.6473519 on reference line 421 in /build/reproducible-path/mopac-23.1.2/tests and -2.64527623 on output line 481 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -2.50472859 on reference line 422 in /build/reproducible-path/mopac-23.1.2/tests and -2.50718181 on output line 482 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.35261396 on reference line 422 in /build/reproducible-path/mopac-23.1.2/tests and 1.34610957 on output line 482 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.76714801 on reference line 422 in /build/reproducible-path/mopac-23.1.2/tests and -1.76282929 on output line 482 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.98517326 on reference line 423 in /build/reproducible-path/mopac-23.1.2/tests and 0.98867542 on output line 483 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.07758771 on reference line 423 in /build/reproducible-path/mopac-23.1.2/tests and 0.0892413 on output line 483 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.48015972 on reference line 423 in /build/reproducible-path/mopac-23.1.2/tests and -1.48432912 on output line 483 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.79430531 on reference line 424 in /build/reproducible-path/mopac-23.1.2/tests and 0.78694105 on output line 484 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 2.2693865 on reference line 424 in /build/reproducible-path/mopac-23.1.2/tests and 2.27746131 on output line 484 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.9369799 on reference line 424 in /build/reproducible-path/mopac-23.1.2/tests and -0.92920692 on output line 484 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 2.25653234 on reference line 425 in /build/reproducible-path/mopac-23.1.2/tests and 2.26202044 on output line 485 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.56734258 on reference line 425 in /build/reproducible-path/mopac-23.1.2/tests and -1.57228277 on output line 485 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.65451787 on reference line 425 in /build/reproducible-path/mopac-23.1.2/tests and 1.64204975 on output line 485 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.6120327 on reference line 426 in /build/reproducible-path/mopac-23.1.2/tests and 0.61572624 on output line 486 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.87739345 on reference line 426 in /build/reproducible-path/mopac-23.1.2/tests and -1.87807981 on output line 486 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.02629055 on reference line 426 in /build/reproducible-path/mopac-23.1.2/tests and 1.01606651 on output line 486 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.98131316 on reference line 427 in /build/reproducible-path/mopac-23.1.2/tests and 1.98244271 on output line 487 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.81923007 on reference line 427 in /build/reproducible-path/mopac-23.1.2/tests and -1.81745324 on output line 487 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.10064983 on reference line 427 in /build/reproducible-path/mopac-23.1.2/tests and -0.1134613 on output line 487 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 3.34816329 on reference line 428 in /build/reproducible-path/mopac-23.1.2/tests and 3.35432196 on output line 488 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.58505225 on reference line 428 in /build/reproducible-path/mopac-23.1.2/tests and 0.58188635 on output line 488 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.28076405 on reference line 428 in /build/reproducible-path/mopac-23.1.2/tests and 1.27553466 on output line 488 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 3.16963 on reference line 429 in /build/reproducible-path/mopac-23.1.2/tests and 3.17393142 on output line 489 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.3926988 on reference line 429 in /build/reproducible-path/mopac-23.1.2/tests and 0.39398136 on output line 489 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.48857036 on reference line 429 in /build/reproducible-path/mopac-23.1.2/tests and -0.49405241 on output line 489 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 2.55662468 on reference line 430 in /build/reproducible-path/mopac-23.1.2/tests and 2.56261692 on output line 490 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.85992671 on reference line 430 in /build/reproducible-path/mopac-23.1.2/tests and 1.85965748 on output line 490 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.30372863 on reference line 430 in /build/reproducible-path/mopac-23.1.2/tests and 0.30228954 on output line 490 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.49054429 on reference line 431 in /build/reproducible-path/mopac-23.1.2/tests and 0.49760945 on output line 491 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.73219412 on reference line 431 in /build/reproducible-path/mopac-23.1.2/tests and 1.72848634 on output line 491 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.75442162 on reference line 431 in /build/reproducible-path/mopac-23.1.2/tests and 1.75662852 on output line 491 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.21695551 on reference line 432 in /build/reproducible-path/mopac-23.1.2/tests and -0.2090066 on output line 492 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.130312 on reference line 432 in /build/reproducible-path/mopac-23.1.2/tests and 0.12556234 on output line 492 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 2.11828049 on reference line 432 in /build/reproducible-path/mopac-23.1.2/tests and 2.11694936 on output line 492 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.40601706 on reference line 433 in /build/reproducible-path/mopac-23.1.2/tests and 1.41508967 on output line 493 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.54294822 on reference line 433 in /build/reproducible-path/mopac-23.1.2/tests and 0.53631205 on output line 493 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 2.7354817 on reference line 433 in /build/reproducible-path/mopac-23.1.2/tests and 2.73234066 on output line 493 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -2.599532711 on reference line 437 in /build/reproducible-path/mopac-23.1.2/tests and -2.602922905 on output line 497 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -2.775755262 on reference line 437 in /build/reproducible-path/mopac-23.1.2/tests and -2.773502157 on output line 497 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.414033476 on reference line 437 in /build/reproducible-path/mopac-23.1.2/tests and -0.412128923 on output line 497 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.876867044 on reference line 438 in /build/reproducible-path/mopac-23.1.2/tests and -1.873776161 on output line 498 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.577096858 on reference line 438 in /build/reproducible-path/mopac-23.1.2/tests and -1.578531727 on output line 498 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.113348029 on reference line 438 in /build/reproducible-path/mopac-23.1.2/tests and 0.114482774 on output line 498 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.571080805 on reference line 439 in /build/reproducible-path/mopac-23.1.2/tests and -1.570482671 on output line 499 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.403338838 on reference line 439 in /build/reproducible-path/mopac-23.1.2/tests and -1.40317 on output line 499 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.275742279 on reference line 439 in /build/reproducible-path/mopac-23.1.2/tests and 1.277261587 on output line 499 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.603275776 on reference line 440 in /build/reproducible-path/mopac-23.1.2/tests and -1.59507178 on output line 500 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.714217106 on reference line 440 in /build/reproducible-path/mopac-23.1.2/tests and -0.718320058 on output line 500 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.858425666 on reference line 440 in /build/reproducible-path/mopac-23.1.2/tests and -0.858314783 on output line 500 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.896663428 on reference line 441 in /build/reproducible-path/mopac-23.1.2/tests and -0.893892235 on output line 501 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.545701046 on reference line 441 in /build/reproducible-path/mopac-23.1.2/tests and 0.544488705 on output line 501 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.523661208 on reference line 441 in /build/reproducible-path/mopac-23.1.2/tests and -0.522788452 on output line 501 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.399492042 on reference line 442 in /build/reproducible-path/mopac-23.1.2/tests and -1.402278523 on output line 502 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.434237348 on reference line 442 in /build/reproducible-path/mopac-23.1.2/tests and 1.432948657 on output line 502 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.68105693 on reference line 442 in /build/reproducible-path/mopac-23.1.2/tests and -1.67767473 on output line 502 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.005481052 on reference line 443 in /build/reproducible-path/mopac-23.1.2/tests and -1.015053516 on output line 503 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 2.874918282 on reference line 443 in /build/reproducible-path/mopac-23.1.2/tests and 2.875169269 on output line 503 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.499997236 on reference line 443 in /build/reproducible-path/mopac-23.1.2/tests and -1.494088196 on output line 503 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.273717388 on reference line 444 in /build/reproducible-path/mopac-23.1.2/tests and 0.262250761 on output line 504 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 3.114221371 on reference line 444 in /build/reproducible-path/mopac-23.1.2/tests and 3.120019095 on output line 504 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.135488352 on reference line 444 in /build/reproducible-path/mopac-23.1.2/tests and -1.126825419 on output line 504 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.733622831 on reference line 445 in /build/reproducible-path/mopac-23.1.2/tests and -1.747303293 on output line 505 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 3.816095283 on reference line 445 in /build/reproducible-path/mopac-23.1.2/tests and 3.813114572 on output line 505 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.678314861 on reference line 445 in /build/reproducible-path/mopac-23.1.2/tests and -1.672663257 on output line 505 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.535866704 on reference line 446 in /build/reproducible-path/mopac-23.1.2/tests and 0.539374059 on output line 506 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.35294005 on reference line 446 in /build/reproducible-path/mopac-23.1.2/tests and 0.357766642 on output line 506 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.544300056 on reference line 446 in /build/reproducible-path/mopac-23.1.2/tests and -0.546476011 on output line 506 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.335848505 on reference line 447 in /build/reproducible-path/mopac-23.1.2/tests and 1.34104283 on output line 507 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.617859472 on reference line 447 in /build/reproducible-path/mopac-23.1.2/tests and 0.61350998 on output line 507 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.574867837 on reference line 448 in /build/reproducible-path/mopac-23.1.2/tests and 1.578743947 on output line 508 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.371129093 on reference line 448 in /build/reproducible-path/mopac-23.1.2/tests and -1.372176269 on output line 508 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.818478582 on reference line 448 in /build/reproducible-path/mopac-23.1.2/tests and 0.808293329 on output line 508 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 2.683360684 on reference line 449 in /build/reproducible-path/mopac-23.1.2/tests and 2.688772916 on output line 509 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.76935628 on reference line 449 in /build/reproducible-path/mopac-23.1.2/tests and 0.768756051 on output line 509 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.426129397 on reference line 449 in /build/reproducible-path/mopac-23.1.2/tests and 0.42201757 on output line 509 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.730603491 on reference line 450 in /build/reproducible-path/mopac-23.1.2/tests and 0.738094074 on output line 510 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.661906999 on reference line 450 in /build/reproducible-path/mopac-23.1.2/tests and 0.657887088 on output line 510 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.877464999 on reference line 450 in /build/reproducible-path/mopac-23.1.2/tests and 1.875959484 on output line 510 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -2.838131354 on reference line 451 in /build/reproducible-path/mopac-23.1.2/tests and -2.596484733 on output line 511 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -2.682311282 on reference line 451 in /build/reproducible-path/mopac-23.1.2/tests and -2.814843006 on output line 511 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.48424696 on reference line 451 in /build/reproducible-path/mopac-23.1.2/tests and -1.511636432 on output line 511 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.991394346 on reference line 452 in /build/reproducible-path/mopac-23.1.2/tests and -2.15649954 on output line 512 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -3.681926971 on reference line 452 in /build/reproducible-path/mopac-23.1.2/tests and -3.70178253 on output line 512 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.280442585 on reference line 452 in /build/reproducible-path/mopac-23.1.2/tests and -0.028165318 on output line 512 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -3.540980929 on reference line 453 in /build/reproducible-path/mopac-23.1.2/tests and -3.653450743 on output line 513 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -2.928143419 on reference line 453 in /build/reproducible-path/mopac-23.1.2/tests and -2.753695642 on output line 513 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.135978891 on reference line 453 in /build/reproducible-path/mopac-23.1.2/tests and -0.082090817 on output line 513 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.326110741 on reference line 454 in /build/reproducible-path/mopac-23.1.2/tests and -1.322729629 on output line 514 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.884472829 on reference line 454 in /build/reproducible-path/mopac-23.1.2/tests and 0.880080569 on output line 514 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.445058023 on reference line 454 in /build/reproducible-path/mopac-23.1.2/tests and 0.447332697 on output line 514 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.005361818 on reference line 455 in /build/reproducible-path/mopac-23.1.2/tests and -1.007489489 on output line 515 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.055450177 on reference line 455 in /build/reproducible-path/mopac-23.1.2/tests and 1.058190203 on output line 515 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -2.647351904 on reference line 455 in /build/reproducible-path/mopac-23.1.2/tests and -2.645276227 on output line 515 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -2.50472859 on reference line 456 in /build/reproducible-path/mopac-23.1.2/tests and -2.507181808 on output line 516 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.35261396 on reference line 456 in /build/reproducible-path/mopac-23.1.2/tests and 1.346109568 on output line 516 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.767148015 on reference line 456 in /build/reproducible-path/mopac-23.1.2/tests and -1.762829292 on output line 516 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.985173262 on reference line 457 in /build/reproducible-path/mopac-23.1.2/tests and 0.988675417 on output line 517 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.077587708 on reference line 457 in /build/reproducible-path/mopac-23.1.2/tests and 0.089241304 on output line 517 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.480159718 on reference line 457 in /build/reproducible-path/mopac-23.1.2/tests and -1.48432912 on output line 517 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.79430531 on reference line 458 in /build/reproducible-path/mopac-23.1.2/tests and 0.786941055 on output line 518 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 2.269386496 on reference line 458 in /build/reproducible-path/mopac-23.1.2/tests and 2.277461312 on output line 518 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.936979899 on reference line 458 in /build/reproducible-path/mopac-23.1.2/tests and -0.929206915 on output line 518 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 2.256532345 on reference line 459 in /build/reproducible-path/mopac-23.1.2/tests and 2.26202044 on output line 519 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.567342575 on reference line 459 in /build/reproducible-path/mopac-23.1.2/tests and -1.572282767 on output line 519 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.654517874 on reference line 459 in /build/reproducible-path/mopac-23.1.2/tests and 1.642049749 on output line 519 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.612032697 on reference line 460 in /build/reproducible-path/mopac-23.1.2/tests and 0.615726236 on output line 520 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.877393446 on reference line 460 in /build/reproducible-path/mopac-23.1.2/tests and -1.878079811 on output line 520 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.026290549 on reference line 460 in /build/reproducible-path/mopac-23.1.2/tests and 1.016066512 on output line 520 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.981313156 on reference line 461 in /build/reproducible-path/mopac-23.1.2/tests and 1.982442706 on output line 521 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.819230069 on reference line 461 in /build/reproducible-path/mopac-23.1.2/tests and -1.817453236 on output line 521 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.100649828 on reference line 461 in /build/reproducible-path/mopac-23.1.2/tests and -0.113461301 on output line 521 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 3.348163288 on reference line 462 in /build/reproducible-path/mopac-23.1.2/tests and 3.354321958 on output line 522 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.585052253 on reference line 462 in /build/reproducible-path/mopac-23.1.2/tests and 0.581886348 on output line 522 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.280764055 on reference line 462 in /build/reproducible-path/mopac-23.1.2/tests and 1.275534656 on output line 522 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 3.169630004 on reference line 463 in /build/reproducible-path/mopac-23.1.2/tests and 3.173931419 on output line 523 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.392698797 on reference line 463 in /build/reproducible-path/mopac-23.1.2/tests and 0.393981357 on output line 523 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.488570355 on reference line 463 in /build/reproducible-path/mopac-23.1.2/tests and -0.494052407 on output line 523 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 2.55662468 on reference line 464 in /build/reproducible-path/mopac-23.1.2/tests and 2.562616915 on output line 524 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.859926715 on reference line 464 in /build/reproducible-path/mopac-23.1.2/tests and 1.859657479 on output line 524 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.303728634 on reference line 464 in /build/reproducible-path/mopac-23.1.2/tests and 0.302289537 on output line 524 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.490544291 on reference line 465 in /build/reproducible-path/mopac-23.1.2/tests and 0.497609454 on output line 525 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.732194119 on reference line 465 in /build/reproducible-path/mopac-23.1.2/tests and 1.728486337 on output line 525 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.754421617 on reference line 465 in /build/reproducible-path/mopac-23.1.2/tests and 1.756628516 on output line 525 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.216955506 on reference line 466 in /build/reproducible-path/mopac-23.1.2/tests and -0.209006601 on output line 526 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.130311996 on reference line 466 in /build/reproducible-path/mopac-23.1.2/tests and 0.125562343 on output line 526 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 2.118280491 on reference line 466 in /build/reproducible-path/mopac-23.1.2/tests and 2.116949361 on output line 526 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.40601706 on reference line 467 in /build/reproducible-path/mopac-23.1.2/tests and 1.415089673 on output line 527 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.54294822 on reference line 467 in /build/reproducible-path/mopac-23.1.2/tests and 0.536312048 on output line 527 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 2.735481703 on reference line 467 in /build/reproducible-path/mopac-23.1.2/tests and 2.732340655 on output line 527 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -37.75697 on reference line 478 in /build/reproducible-path/mopac-23.1.2/tests and -37.75754 on output line 538 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -30.86924 on reference line 478 in /build/reproducible-path/mopac-23.1.2/tests and -30.87025 on output line 538 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -30.67089 on reference line 478 in /build/reproducible-path/mopac-23.1.2/tests and -30.67003 on output line 538 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -29.6694 on reference line 478 in /build/reproducible-path/mopac-23.1.2/tests and -29.66856 on output line 538 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -29.29795 on reference line 478 in /build/reproducible-path/mopac-23.1.2/tests and -29.29698 on output line 538 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -27.58679 on reference line 478 in /build/reproducible-path/mopac-23.1.2/tests and -27.58692 on output line 538 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -26.05072 on reference line 478 in /build/reproducible-path/mopac-23.1.2/tests and -26.05092 on output line 538 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -25.77464 on reference line 478 in /build/reproducible-path/mopac-23.1.2/tests and -25.77581 on output line 538 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -25.61711 on reference line 479 in /build/reproducible-path/mopac-23.1.2/tests and -25.61634 on output line 539 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -24.55775 on reference line 479 in /build/reproducible-path/mopac-23.1.2/tests and -24.55709 on output line 539 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -22.91416 on reference line 479 in /build/reproducible-path/mopac-23.1.2/tests and -22.91318 on output line 539 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -20.80122 on reference line 479 in /build/reproducible-path/mopac-23.1.2/tests and -20.79861 on output line 539 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -19.85203 on reference line 479 in /build/reproducible-path/mopac-23.1.2/tests and -19.85219 on output line 539 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -19.56616 on reference line 479 in /build/reproducible-path/mopac-23.1.2/tests and -19.56902 on output line 539 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -17.92319 on reference line 479 in /build/reproducible-path/mopac-23.1.2/tests and -17.92068 on output line 539 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -17.56184 on reference line 479 in /build/reproducible-path/mopac-23.1.2/tests and -17.56313 on output line 539 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -17.4333 on reference line 480 in /build/reproducible-path/mopac-23.1.2/tests and -17.43265 on output line 540 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -17.11986 on reference line 480 in /build/reproducible-path/mopac-23.1.2/tests and -17.12217 on output line 540 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -16.24491 on reference line 480 in /build/reproducible-path/mopac-23.1.2/tests and -16.24416 on output line 540 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -15.92288 on reference line 480 in /build/reproducible-path/mopac-23.1.2/tests and -15.9108 on output line 540 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -15.667 on reference line 480 in /build/reproducible-path/mopac-23.1.2/tests and -15.67309 on output line 540 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -15.07691 on reference line 480 in /build/reproducible-path/mopac-23.1.2/tests and -15.0771 on output line 540 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -14.98423 on reference line 480 in /build/reproducible-path/mopac-23.1.2/tests and -14.98375 on output line 540 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -14.49058 on reference line 481 in /build/reproducible-path/mopac-23.1.2/tests and -14.49119 on output line 541 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -14.12013 on reference line 481 in /build/reproducible-path/mopac-23.1.2/tests and -14.12497 on output line 541 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -13.85112 on reference line 481 in /build/reproducible-path/mopac-23.1.2/tests and -13.84929 on output line 541 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -13.79769 on reference line 481 in /build/reproducible-path/mopac-23.1.2/tests and -13.79804 on output line 541 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -13.75418 on reference line 481 in /build/reproducible-path/mopac-23.1.2/tests and -13.7538 on output line 541 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -13.63189 on reference line 481 in /build/reproducible-path/mopac-23.1.2/tests and -13.63037 on output line 541 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -13.57891 on reference line 481 in /build/reproducible-path/mopac-23.1.2/tests and -13.58508 on output line 541 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -13.10785 on reference line 481 in /build/reproducible-path/mopac-23.1.2/tests and -13.10572 on output line 541 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -12.97628 on reference line 482 in /build/reproducible-path/mopac-23.1.2/tests and -12.97119 on output line 542 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -12.82584 on reference line 482 in /build/reproducible-path/mopac-23.1.2/tests and -12.82484 on output line 542 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -12.33938 on reference line 482 in /build/reproducible-path/mopac-23.1.2/tests and -12.34364 on output line 542 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -11.8686 on reference line 482 in /build/reproducible-path/mopac-23.1.2/tests and -11.86161 on output line 542 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -11.23451 on reference line 482 in /build/reproducible-path/mopac-23.1.2/tests and -11.23291 on output line 542 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -11.01702 on reference line 482 in /build/reproducible-path/mopac-23.1.2/tests and -11.01981 on output line 542 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -10.81164 on reference line 482 in /build/reproducible-path/mopac-23.1.2/tests and -10.8126 on output line 542 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -10.18538 on reference line 482 in /build/reproducible-path/mopac-23.1.2/tests and -10.18411 on output line 542 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -8.20804 on reference line 483 in /build/reproducible-path/mopac-23.1.2/tests and -8.20837 on output line 543 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.3593 on reference line 483 in /build/reproducible-path/mopac-23.1.2/tests and 1.35808 on output line 543 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.60339 on reference line 483 in /build/reproducible-path/mopac-23.1.2/tests and 1.60477 on output line 543 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.89346 on reference line 483 in /build/reproducible-path/mopac-23.1.2/tests and 1.89215 on output line 543 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 2.80006 on reference line 483 in /build/reproducible-path/mopac-23.1.2/tests and 2.80034 on output line 543 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 3.05225 on reference line 483 in /build/reproducible-path/mopac-23.1.2/tests and 3.0529 on output line 543 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 3.62559 on reference line 484 in /build/reproducible-path/mopac-23.1.2/tests and 3.62543 on output line 544 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 3.73982 on reference line 484 in /build/reproducible-path/mopac-23.1.2/tests and 3.73893 on output line 544 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 4.00024 on reference line 484 in /build/reproducible-path/mopac-23.1.2/tests and 4.00086 on output line 544 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 4.13259 on reference line 484 in /build/reproducible-path/mopac-23.1.2/tests and 4.13317 on output line 544 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 4.46951 on reference line 484 in /build/reproducible-path/mopac-23.1.2/tests and 4.46925 on output line 544 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 4.48109 on reference line 484 in /build/reproducible-path/mopac-23.1.2/tests and 4.48075 on output line 544 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 4.58897 on reference line 484 in /build/reproducible-path/mopac-23.1.2/tests and 4.58811 on output line 544 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 4.65321 on reference line 484 in /build/reproducible-path/mopac-23.1.2/tests and 4.65374 on output line 544 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 4.78596 on reference line 485 in /build/reproducible-path/mopac-23.1.2/tests and 4.7866 on output line 545 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 4.84147 on reference line 485 in /build/reproducible-path/mopac-23.1.2/tests and 4.84213 on output line 545 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 5.01234 on reference line 485 in /build/reproducible-path/mopac-23.1.2/tests and 5.01147 on output line 545 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 5.12206 on reference line 485 in /build/reproducible-path/mopac-23.1.2/tests and 5.12019 on output line 545 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 5.13122 on reference line 485 in /build/reproducible-path/mopac-23.1.2/tests and 5.13717 on output line 545 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 5.19133 on reference line 485 in /build/reproducible-path/mopac-23.1.2/tests and 5.19164 on output line 545 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 5.28406 on reference line 485 in /build/reproducible-path/mopac-23.1.2/tests and 5.28312 on output line 545 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 5.52496 on reference line 485 in /build/reproducible-path/mopac-23.1.2/tests and 5.52433 on output line 545 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 5.54899 on reference line 486 in /build/reproducible-path/mopac-23.1.2/tests and 5.54985 on output line 546 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 5.71059 on reference line 486 in /build/reproducible-path/mopac-23.1.2/tests and 5.7121 on output line 546 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 5.81068 on reference line 486 in /build/reproducible-path/mopac-23.1.2/tests and 5.81056 on output line 546 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 5.8292 on reference line 486 in /build/reproducible-path/mopac-23.1.2/tests and 5.82881 on output line 546 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 5.90607 on reference line 486 in /build/reproducible-path/mopac-23.1.2/tests and 5.90582 on output line 546 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 6.29771 on reference line 486 in /build/reproducible-path/mopac-23.1.2/tests and 6.29818 on output line 546 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 6.39742 on reference line 486 in /build/reproducible-path/mopac-23.1.2/tests and 6.39677 on output line 546 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 6.58301 on reference line 486 in /build/reproducible-path/mopac-23.1.2/tests and 6.5837 on output line 546 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 7.24994 on reference line 487 in /build/reproducible-path/mopac-23.1.2/tests and 7.24983 on output line 547 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.516152 on reference line 493 in /build/reproducible-path/mopac-23.1.2/tests and -0.516509 on output line 553 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 4.5162 on reference line 493 in /build/reproducible-path/mopac-23.1.2/tests and 4.5165 on output line 553 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 3.45453 on reference line 493 in /build/reproducible-path/mopac-23.1.2/tests and 3.45487 on output line 553 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.664588 on reference line 494 in /build/reproducible-path/mopac-23.1.2/tests and 0.664215 on output line 554 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 3.3354 on reference line 494 in /build/reproducible-path/mopac-23.1.2/tests and 3.3358 on output line 554 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 2.23109 on reference line 494 in /build/reproducible-path/mopac-23.1.2/tests and 2.23143 on output line 554 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.615107 on reference line 495 in /build/reproducible-path/mopac-23.1.2/tests and -0.614776 on output line 555 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 6.6151 on reference line 495 in /build/reproducible-path/mopac-23.1.2/tests and 6.6148 on output line 555 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 4.73831 on reference line 495 in /build/reproducible-path/mopac-23.1.2/tests and 4.73797 on output line 555 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.47906 on reference line 496 in /build/reproducible-path/mopac-23.1.2/tests and -0.479407 on output line 556 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 6.4791 on reference line 496 in /build/reproducible-path/mopac-23.1.2/tests and 6.4794 on output line 556 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 4.61147 on reference line 496 in /build/reproducible-path/mopac-23.1.2/tests and 4.61181 on output line 556 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.24763 on reference line 497 in /build/reproducible-path/mopac-23.1.2/tests and 0.247409 on output line 557 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 3.7524 on reference line 497 in /build/reproducible-path/mopac-23.1.2/tests and 3.7526 on output line 557 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 2.67417 on reference line 497 in /build/reproducible-path/mopac-23.1.2/tests and 2.67434 on output line 557 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.583573 on reference line 500 in /build/reproducible-path/mopac-23.1.2/tests and -0.583462 on output line 560 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.755243 on reference line 502 in /build/reproducible-path/mopac-23.1.2/tests and -0.754801 on output line 562 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 4.7552 on reference line 502 in /build/reproducible-path/mopac-23.1.2/tests and 4.7548 on output line 562 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.04316 on reference line 502 in /build/reproducible-path/mopac-23.1.2/tests and 1.04337 on output line 562 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 3.71208 on reference line 502 in /build/reproducible-path/mopac-23.1.2/tests and 3.71143 on output line 562 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.221733 on reference line 503 in /build/reproducible-path/mopac-23.1.2/tests and 0.221572 on output line 563 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 4.7783 on reference line 503 in /build/reproducible-path/mopac-23.1.2/tests and 4.7784 on output line 563 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 3.30753 on reference line 503 in /build/reproducible-path/mopac-23.1.2/tests and 3.30767 on output line 563 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.342573 on reference line 505 in /build/reproducible-path/mopac-23.1.2/tests and -0.342426 on output line 565 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 4.3426 on reference line 505 in /build/reproducible-path/mopac-23.1.2/tests and 4.3424 on output line 565 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.183542 on reference line 507 in /build/reproducible-path/mopac-23.1.2/tests and 0.182848 on output line 567 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.8165 on reference line 507 in /build/reproducible-path/mopac-23.1.2/tests and 0.8172 on output line 567 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.81646 on reference line 507 in /build/reproducible-path/mopac-23.1.2/tests and 0.81715 on output line 567 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.17701 on reference line 508 in /build/reproducible-path/mopac-23.1.2/tests and 0.177364 on output line 568 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.823 on reference line 508 in /build/reproducible-path/mopac-23.1.2/tests and 0.8226 on output line 568 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.82299 on reference line 508 in /build/reproducible-path/mopac-23.1.2/tests and 0.82264 on output line 568 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.184264 on reference line 509 in /build/reproducible-path/mopac-23.1.2/tests and 0.185066 on output line 569 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.8157 on reference line 509 in /build/reproducible-path/mopac-23.1.2/tests and 0.8149 on output line 569 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.81574 on reference line 509 in /build/reproducible-path/mopac-23.1.2/tests and 0.81493 on output line 569 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.195662 on reference line 516 in /build/reproducible-path/mopac-23.1.2/tests and 0.195561 on output line 576 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.166105 on reference line 517 in /build/reproducible-path/mopac-23.1.2/tests and 0.166278 on output line 577 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.8339 on reference line 517 in /build/reproducible-path/mopac-23.1.2/tests and 0.8337 on output line 577 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.8339 on reference line 517 in /build/reproducible-path/mopac-23.1.2/tests and 0.83372 on output line 577 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.822 on reference line 520 in /build/reproducible-path/mopac-23.1.2/tests and 0.8221 on output line 580 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 4.771 on reference line 525 in /build/reproducible-path/mopac-23.1.2/tests and 4.781 on output line 585 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -5.424 on reference line 525 in /build/reproducible-path/mopac-23.1.2/tests and -5.419 on output line 585 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 2.478 on reference line 525 in /build/reproducible-path/mopac-23.1.2/tests and 2.46 on output line 585 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 7.637 on reference line 525 in /build/reproducible-path/mopac-23.1.2/tests and 7.634 on output line 585 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.334 on reference line 526 in /build/reproducible-path/mopac-23.1.2/tests and 0.317 on output line 586 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.706 on reference line 526 in /build/reproducible-path/mopac-23.1.2/tests and -0.698 on output line 586 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.199 on reference line 526 in /build/reproducible-path/mopac-23.1.2/tests and 0.197 on output line 586 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.807 on reference line 526 in /build/reproducible-path/mopac-23.1.2/tests and 0.792 on output line 586 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 5.106 on reference line 527 in /build/reproducible-path/mopac-23.1.2/tests and 5.098 on output line 587 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -6.131 on reference line 527 in /build/reproducible-path/mopac-23.1.2/tests and -6.118 on output line 587 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 2.677 on reference line 527 in /build/reproducible-path/mopac-23.1.2/tests and 2.658 on output line 587 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 8.416 on reference line 527 in /build/reproducible-path/mopac-23.1.2/tests and 8.395 on output line 587 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.16563 on reference line 533 in /build/reproducible-path/mopac-23.1.2/tests and 1.16502 on output line 593 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.09826 on reference line 533 in /build/reproducible-path/mopac-23.1.2/tests and 1.10002 on output line 593 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.19064 on reference line 533 in /build/reproducible-path/mopac-23.1.2/tests and 1.18983 on output line 593 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.68583 on reference line 534 in /build/reproducible-path/mopac-23.1.2/tests and 0.68621 on output line 594 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.7836 on reference line 534 in /build/reproducible-path/mopac-23.1.2/tests and 0.78338 on output line 594 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.76166 on reference line 534 in /build/reproducible-path/mopac-23.1.2/tests and 0.76183 on output line 594 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.61161 on reference line 535 in /build/reproducible-path/mopac-23.1.2/tests and 1.61195 on output line 595 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.80564 on reference line 535 in /build/reproducible-path/mopac-23.1.2/tests and 1.80509 on output line 595 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.32106 on reference line 535 in /build/reproducible-path/mopac-23.1.2/tests and 1.32093 on output line 595 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.70983 on reference line 536 in /build/reproducible-path/mopac-23.1.2/tests and 1.71098 on output line 596 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.48323 on reference line 536 in /build/reproducible-path/mopac-23.1.2/tests and 1.48248 on output line 596 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.9148 on reference line 537 in /build/reproducible-path/mopac-23.1.2/tests and 0.91552 on output line 597 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.75545 on reference line 537 in /build/reproducible-path/mopac-23.1.2/tests and 0.75458 on output line 597 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.00391 on reference line 537 in /build/reproducible-path/mopac-23.1.2/tests and 1.00424 on output line 597 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.03671 on reference line 538 in /build/reproducible-path/mopac-23.1.2/tests and 1.03648 on output line 598 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.13301 on reference line 538 in /build/reproducible-path/mopac-23.1.2/tests and 1.13319 on output line 598 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.66911 on reference line 539 in /build/reproducible-path/mopac-23.1.2/tests and 0.66922 on output line 599 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.54063 on reference line 540 in /build/reproducible-path/mopac-23.1.2/tests and 1.54091 on output line 600 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.81829 on reference line 540 in /build/reproducible-path/mopac-23.1.2/tests and 1.81787 on output line 600 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.58 on reference line 541 in /build/reproducible-path/mopac-23.1.2/tests and 1.57712 on output line 601 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.50414 on reference line 541 in /build/reproducible-path/mopac-23.1.2/tests and 1.50673 on output line 601 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.51517 on reference line 541 in /build/reproducible-path/mopac-23.1.2/tests and 1.51551 on output line 601 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.04316 on reference line 542 in /build/reproducible-path/mopac-23.1.2/tests and 1.04337 on output line 602 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.02757 on reference line 542 in /build/reproducible-path/mopac-23.1.2/tests and 1.02581 on output line 602 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.74638 on reference line 542 in /build/reproducible-path/mopac-23.1.2/tests and 1.74687 on output line 602 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.93813 on reference line 542 in /build/reproducible-path/mopac-23.1.2/tests and 0.93875 on output line 602 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.9083 on reference line 544 in /build/reproducible-path/mopac-23.1.2/tests and 0.90777 on output line 604 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.17477 on reference line 544 in /build/reproducible-path/mopac-23.1.2/tests and 1.17525 on output line 604 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.93911 on reference line 545 in /build/reproducible-path/mopac-23.1.2/tests and 0.93889 on output line 605 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.16591 on reference line 546 in /build/reproducible-path/mopac-23.1.2/tests and 1.16623 on output line 606 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.16678 on reference line 546 in /build/reproducible-path/mopac-23.1.2/tests and 1.16751 on output line 606 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.94759 on reference line 546 in /build/reproducible-path/mopac-23.1.2/tests and 0.94659 on output line 606 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.81646 on reference line 547 in /build/reproducible-path/mopac-23.1.2/tests and 0.81715 on output line 607 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.82299 on reference line 548 in /build/reproducible-path/mopac-23.1.2/tests and 0.82264 on output line 608 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.81574 on reference line 549 in /build/reproducible-path/mopac-23.1.2/tests and 0.81493 on output line 609 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.8339 on reference line 557 in /build/reproducible-path/mopac-23.1.2/tests and 0.83372 on output line 617 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.325 on reference line 567 in /build/reproducible-path/mopac-23.1.2/tests and -1.329 on output line 627 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -5.579 on reference line 567 in /build/reproducible-path/mopac-23.1.2/tests and -5.578 on output line 627 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -6.903 on reference line 567 in /build/reproducible-path/mopac-23.1.2/tests and -6.907 on output line 627 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -4054.5015 on reference line 576 in /build/reproducible-path/mopac-23.1.2/tests and -4054.5177 on output line 636 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 1748.4397 on reference line 577 in /build/reproducible-path/mopac-23.1.2/tests and 1748.4491 on output line 637 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -2306.0618 on reference line 579 in /build/reproducible-path/mopac-23.1.2/tests and -2306.0686 on output line 639 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -391.1003 on reference line 583 in /build/reproducible-path/mopac-23.1.2/tests and -391.0987 on output line 643 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -162.9682 on reference line 584 in /build/reproducible-path/mopac-23.1.2/tests and -162.968 on output line 644 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -554.0685 on reference line 586 in /build/reproducible-path/mopac-23.1.2/tests and -554.0667 on output line 646 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 13473.4859 on reference line 588 in /build/reproducible-path/mopac-23.1.2/tests and 13471.994 on output line 648 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -27163.3213 on reference line 589 in /build/reproducible-path/mopac-23.1.2/tests and -27160.3226 on output line 649 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 13847.8465 on reference line 590 in /build/reproducible-path/mopac-23.1.2/tests and 13846.3443 on output line 650 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between 158.0111 on reference line 592 in /build/reproducible-path/mopac-23.1.2/tests and 158.0157 on output line 652 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -396.0574 on reference line 594 in /build/reproducible-path/mopac-23.1.2/tests and -396.051 on output line 654 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +27: WARNING: numerical mismatch between -2702.1191 on reference line 596 in /build/reproducible-path/mopac-23.1.2/tests and -2702.1196 on output line 656 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +120/124 Test #27: erratic-1 ........................ Passed 11.90 sec +114: +114: +114: MOPAC Job: "ROOT.mop" ended normally on Apr 13, 2026, at 07:11. +114: +114: WARNING: numerical heat mismatch between -205.75414 on reference line 100 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -205.75541 on output line 100 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +114: WARNING: numerical mismatch between -860.87533 on reference line 100 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -860.88062 on output line 100 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +114: WARNING: numerical heat mismatch between -205.75414 on reference line 740 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -205.75541 on output line 740 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +114: WARNING: numerical mismatch between -860.87533 on reference line 740 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -860.88062 on output line 740 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +114: WARNING: numerical heat mismatch between -103.23488 on reference line 1380 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -103.2361 on output line 1380 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +114: WARNING: numerical mismatch between -431.93475 on reference line 1380 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -431.93982 on output line 1380 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +114: WARNING: numerical heat mismatch between -101.79895 on reference line 2020 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -101.80016 on output line 2020 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +114: WARNING: numerical mismatch between -425.92679 on reference line 2020 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -425.93185 on output line 2020 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +114: WARNING: numerical heat mismatch between -205.75414 on reference line 2660 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -205.75541 on output line 2660 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +114: WARNING: numerical mismatch between -860.87533 on reference line 2660 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -860.88062 on output line 2660 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +114: WARNING: numerical heat mismatch between 41.89936 on reference line 3300 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 41.89823 on output line 3300 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +114: WARNING: numerical mismatch between 175.30693 on reference line 3300 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 175.30219 on output line 3300 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +114: WARNING: numerical heat mismatch between -102.57995 on reference line 3940 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -102.58117 on output line 3940 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +114: WARNING: numerical mismatch between -429.19453 on reference line 3940 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -429.1996 on output line 3940 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +121/124 Test #114: key-ROOT ......................... Passed 14.00 sec 1: 1: -1: MOPAC Job: "port.mop" ended normally on Mar 9, 2025, at 22:45. +1: MOPAC Job: "port.mop" ended normally on Apr 13, 2026, at 07:11. 1: 1: WARNING: numerical mismatch between 0.00060287 on reference line 52884 in /build/reproducible-path/mopac-23.1.2/tests and 1.9631 on output line 52887 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac 1: WARNING: numerical mismatch between 0.000614315 on reference line 52885 in /build/reproducible-path/mopac-23.1.2/tests and 16.9805 on output line 52888 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac @@ -5789,128 +5902,109 @@ 1: WARNING: numerical mismatch between -0.0042 on reference line 88427 in /build/reproducible-path/mopac-23.1.2/tests and -1.4807 on output line 88438 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac 1: WARNING: numerical mismatch between 0.0001 on reference line 88428 in /build/reproducible-path/mopac-23.1.2/tests and 0.4384 on output line 88439 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac 1: WARNING: numerical mismatch between 62.3839 on reference line 88432 in /build/reproducible-path/mopac-23.1.2/tests and 54.1551 on output line 88443 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical heat mismatch between 129.691 on reference line 98893 in /build/reproducible-path/mopac-23.1.2/tests and 129.69078 on output line 98904 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between 542.62716 on reference line 98893 in /build/reproducible-path/mopac-23.1.2/tests and 542.62621 on output line 98904 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between -12.737819 on reference line 103052 in /build/reproducible-path/mopac-23.1.2/tests and -12.736435 on output line 103063 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between -48.810804 on reference line 103053 in /build/reproducible-path/mopac-23.1.2/tests and -48.810984 on output line 103064 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between -2.508887 on reference line 103054 in /build/reproducible-path/mopac-23.1.2/tests and -2.504 on output line 103065 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between 2.466408 on reference line 103055 in /build/reproducible-path/mopac-23.1.2/tests and 2.464584 on output line 103066 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between -10.223798 on reference line 103056 in /build/reproducible-path/mopac-23.1.2/tests and -10.223074 on output line 103067 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between -10.868693 on reference line 103062 in /build/reproducible-path/mopac-23.1.2/tests and -10.868122 on output line 103073 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between -0.927173 on reference line 103063 in /build/reproducible-path/mopac-23.1.2/tests and -0.928383 on output line 103074 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between -8.777923 on reference line 103064 in /build/reproducible-path/mopac-23.1.2/tests and -8.775971 on output line 103075 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between -28.71347 on reference line 103065 in /build/reproducible-path/mopac-23.1.2/tests and -28.709698 on output line 103076 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between -5.341196 on reference line 103067 in /build/reproducible-path/mopac-23.1.2/tests and -5.34202 on output line 103078 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between 15.300927 on reference line 103068 in /build/reproducible-path/mopac-23.1.2/tests and 15.302878 on output line 103079 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between -55.397921 on reference line 103070 in /build/reproducible-path/mopac-23.1.2/tests and -55.398657 on output line 103081 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between -73.066573 on reference line 103071 in /build/reproducible-path/mopac-23.1.2/tests and -73.065213 on output line 103082 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between 30.117805 on reference line 103076 in /build/reproducible-path/mopac-23.1.2/tests and 30.117094 on output line 103087 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between -40.746604 on reference line 103077 in /build/reproducible-path/mopac-23.1.2/tests and -40.74791 on output line 103088 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between -470.040085 on reference line 103556 in /build/reproducible-path/mopac-23.1.2/tests and -470.04037 on output line 103567 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between 0.00465 on reference line 103557 in /build/reproducible-path/mopac-23.1.2/tests and 0.00495 on output line 103568 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between -470.038722 on reference line 103559 in /build/reproducible-path/mopac-23.1.2/tests and -470.038933 on output line 103570 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between -0.006155 on reference line 103560 in /build/reproducible-path/mopac-23.1.2/tests and -0.006482 on output line 103571 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between -0.001939 on reference line 103561 in /build/reproducible-path/mopac-23.1.2/tests and -0.002056 on output line 103572 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between -470.039093 on reference line 103562 in /build/reproducible-path/mopac-23.1.2/tests and -470.039325 on output line 103573 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between 0.004095 on reference line 103563 in /build/reproducible-path/mopac-23.1.2/tests and 0.004327 on output line 103574 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between -470.039782 on reference line 103565 in /build/reproducible-path/mopac-23.1.2/tests and -470.040048 on output line 103576 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between -0.006717 on reference line 103566 in /build/reproducible-path/mopac-23.1.2/tests and -0.007089 on output line 103577 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between -470.037736 on reference line 103568 in /build/reproducible-path/mopac-23.1.2/tests and -470.037897 on output line 103579 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between 0.005486 on reference line 103569 in /build/reproducible-path/mopac-23.1.2/tests and 0.005819 on output line 103580 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between -470.038009 on reference line 103571 in /build/reproducible-path/mopac-23.1.2/tests and -470.038183 on output line 103582 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between -332.369586 on reference line 103778 in /build/reproducible-path/mopac-23.1.2/tests and -332.366538 on output line 103789 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between -664.737851 on reference line 103779 in /build/reproducible-path/mopac-23.1.2/tests and -664.732704 on output line 103790 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between -870.802632 on reference line 103780 in /build/reproducible-path/mopac-23.1.2/tests and -870.794355 on output line 103791 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between 0.002109 on reference line 103781 in /build/reproducible-path/mopac-23.1.2/tests and 0.000471 on output line 103792 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between -870.801425 on reference line 103782 in /build/reproducible-path/mopac-23.1.2/tests and -870.794181 on output line 103793 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between 0.000449 on reference line 103783 in /build/reproducible-path/mopac-23.1.2/tests and 0.00028 on output line 103794 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between -470.037656 on reference line 103784 in /build/reproducible-path/mopac-23.1.2/tests and -470.036602 on output line 103795 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between 0.004168 on reference line 103785 in /build/reproducible-path/mopac-23.1.2/tests and 0.000799 on output line 103796 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between -470.040168 on reference line 103787 in /build/reproducible-path/mopac-23.1.2/tests and -470.036778 on output line 103798 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between 0.001314 on reference line 103788 in /build/reproducible-path/mopac-23.1.2/tests and 0.000313 on output line 103799 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between -0.002424 on reference line 103789 in /build/reproducible-path/mopac-23.1.2/tests and -0.000316 on output line 103800 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between -470.042827 on reference line 103790 in /build/reproducible-path/mopac-23.1.2/tests and -470.037256 on output line 103801 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between -0.001401 on reference line 103791 in /build/reproducible-path/mopac-23.1.2/tests and -0.000226 on output line 103802 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between -37.67949 on reference line 103827 in /build/reproducible-path/mopac-23.1.2/tests and -37.67962 on output line 103838 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between -37.67949 on reference line 103827 in /build/reproducible-path/mopac-23.1.2/tests and -37.67962 on output line 103838 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between -37.67949 on reference line 103827 in /build/reproducible-path/mopac-23.1.2/tests and -37.67962 on output line 103838 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between -37.17623 on reference line 103827 in /build/reproducible-path/mopac-23.1.2/tests and -37.17636 on output line 103838 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between -37.17623 on reference line 103827 in /build/reproducible-path/mopac-23.1.2/tests and -37.17636 on output line 103838 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between -0.08134 on reference line 103831 in /build/reproducible-path/mopac-23.1.2/tests and -0.08098 on output line 103842 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between 71.04211 on reference line 103831 in /build/reproducible-path/mopac-23.1.2/tests and 71.04226 on output line 103842 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between 72.69617 on reference line 103831 in /build/reproducible-path/mopac-23.1.2/tests and 72.69638 on output line 103842 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between 73.04709 on reference line 103831 in /build/reproducible-path/mopac-23.1.2/tests and 73.04727 on output line 103842 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between 73.04709 on reference line 103831 in /build/reproducible-path/mopac-23.1.2/tests and 73.04727 on output line 103842 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between 73.0471 on reference line 103831 in /build/reproducible-path/mopac-23.1.2/tests and 73.04727 on output line 103842 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between 73.6628 on reference line 103831 in /build/reproducible-path/mopac-23.1.2/tests and 73.66298 on output line 103842 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between 73.6628 on reference line 103831 in /build/reproducible-path/mopac-23.1.2/tests and 73.66298 on output line 103842 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between 73.66281 on reference line 103832 in /build/reproducible-path/mopac-23.1.2/tests and 73.66298 on output line 103843 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between 73.83308 on reference line 103832 in /build/reproducible-path/mopac-23.1.2/tests and 73.83328 on output line 103843 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between 73.83309 on reference line 103832 in /build/reproducible-path/mopac-23.1.2/tests and 73.83328 on output line 103843 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between 74.93921 on reference line 103832 in /build/reproducible-path/mopac-23.1.2/tests and 74.93937 on output line 103843 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between 74.93922 on reference line 103832 in /build/reproducible-path/mopac-23.1.2/tests and 74.93937 on output line 103843 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between 74.93922 on reference line 103832 in /build/reproducible-path/mopac-23.1.2/tests and 74.93937 on output line 103843 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between 75.64308 on reference line 103832 in /build/reproducible-path/mopac-23.1.2/tests and 75.64328 on output line 103843 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between 75.64309 on reference line 103832 in /build/reproducible-path/mopac-23.1.2/tests and 75.64328 on output line 103843 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between 75.64309 on reference line 103833 in /build/reproducible-path/mopac-23.1.2/tests and 75.64328 on output line 103844 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between 76.04772 on reference line 103833 in /build/reproducible-path/mopac-23.1.2/tests and 76.04791 on output line 103844 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between 76.04773 on reference line 103833 in /build/reproducible-path/mopac-23.1.2/tests and 76.04791 on output line 103844 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between 76.04773 on reference line 103833 in /build/reproducible-path/mopac-23.1.2/tests and 76.04791 on output line 103844 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between 76.09798 on reference line 103833 in /build/reproducible-path/mopac-23.1.2/tests and 76.09818 on output line 103844 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between 76.09799 on reference line 103833 in /build/reproducible-path/mopac-23.1.2/tests and 76.09819 on output line 103844 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between 76.09799 on reference line 103833 in /build/reproducible-path/mopac-23.1.2/tests and 76.09819 on output line 103844 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between 76.22469 on reference line 103833 in /build/reproducible-path/mopac-23.1.2/tests and 76.22486 on output line 103844 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between 76.22469 on reference line 103834 in /build/reproducible-path/mopac-23.1.2/tests and 76.22486 on output line 103845 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between 76.2247 on reference line 103834 in /build/reproducible-path/mopac-23.1.2/tests and 76.22486 on output line 103845 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between 76.40574 on reference line 103834 in /build/reproducible-path/mopac-23.1.2/tests and 76.4059 on output line 103845 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between 76.40574 on reference line 103834 in /build/reproducible-path/mopac-23.1.2/tests and 76.4059 on output line 103845 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between 77.24997 on reference line 103834 in /build/reproducible-path/mopac-23.1.2/tests and 77.25019 on output line 103845 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between 77.24999 on reference line 103834 in /build/reproducible-path/mopac-23.1.2/tests and 77.25019 on output line 103845 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between 78.03018 on reference line 103834 in /build/reproducible-path/mopac-23.1.2/tests and 78.03039 on output line 103845 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between 2.198131 on reference line 103843 in /build/reproducible-path/mopac-23.1.2/tests and 2.198257 on output line 103854 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between 5.8019 on reference line 103843 in /build/reproducible-path/mopac-23.1.2/tests and 5.8017 on output line 103854 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -1: WARNING: numerical mismatch between 3.39311 on reference line 103843 in /build/reproducible-path/mopac-23.1.2/tests and 3.39299 on output line 103854 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -121/124 Test #1: port ............................. Passed 66.27 sec -114: -114: -114: MOPAC Job: "ROOT.mop" ended normally on Mar 9, 2025, at 22:46. -114: -114: WARNING: numerical heat mismatch between -205.75414 on reference line 100 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -205.75541 on output line 100 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -114: WARNING: numerical mismatch between -860.87533 on reference line 100 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -860.88062 on output line 100 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -114: WARNING: numerical heat mismatch between -205.75414 on reference line 740 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -205.75541 on output line 740 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -114: WARNING: numerical mismatch between -860.87533 on reference line 740 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -860.88062 on output line 740 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -114: WARNING: numerical heat mismatch between -103.23488 on reference line 1380 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -103.2361 on output line 1380 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -114: WARNING: numerical mismatch between -431.93475 on reference line 1380 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -431.93982 on output line 1380 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -114: WARNING: numerical heat mismatch between -101.79895 on reference line 2020 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -101.80016 on output line 2020 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -114: WARNING: numerical mismatch between -425.92679 on reference line 2020 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -425.93185 on output line 2020 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -114: WARNING: numerical heat mismatch between -205.75414 on reference line 2660 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -205.75541 on output line 2660 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -114: WARNING: numerical mismatch between -860.87533 on reference line 2660 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -860.88062 on output line 2660 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -114: WARNING: numerical heat mismatch between 41.89936 on reference line 3300 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 41.89823 on output line 3300 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -114: WARNING: numerical mismatch between 175.30693 on reference line 3300 in /build/reproducible-path/mopac-23.1.2/tests/keywords and 175.30219 on output line 3300 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -114: WARNING: numerical heat mismatch between -102.57995 on reference line 3940 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -102.58117 on output line 3940 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -114: WARNING: numerical mismatch between -429.19453 on reference line 3940 in /build/reproducible-path/mopac-23.1.2/tests/keywords and -429.1996 on output line 3940 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac -122/124 Test #114: key-ROOT ......................... Passed 41.77 sec +1: WARNING: numerical heat mismatch between 129.691 on reference line 98893 in /build/reproducible-path/mopac-23.1.2/tests and 129.69078 on output line 98909 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between 542.62716 on reference line 98893 in /build/reproducible-path/mopac-23.1.2/tests and 542.62621 on output line 98909 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between -12.737819 on reference line 103052 in /build/reproducible-path/mopac-23.1.2/tests and -12.736435 on output line 103068 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between -48.810804 on reference line 103053 in /build/reproducible-path/mopac-23.1.2/tests and -48.810984 on output line 103069 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between -2.508887 on reference line 103054 in /build/reproducible-path/mopac-23.1.2/tests and -2.504 on output line 103070 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between 2.466408 on reference line 103055 in /build/reproducible-path/mopac-23.1.2/tests and 2.464584 on output line 103071 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between -10.223798 on reference line 103056 in /build/reproducible-path/mopac-23.1.2/tests and -10.223074 on output line 103072 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between -10.868693 on reference line 103062 in /build/reproducible-path/mopac-23.1.2/tests and -10.868122 on output line 103078 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between -0.927173 on reference line 103063 in /build/reproducible-path/mopac-23.1.2/tests and -0.928383 on output line 103079 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between -8.777923 on reference line 103064 in /build/reproducible-path/mopac-23.1.2/tests and -8.775971 on output line 103080 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between -28.71347 on reference line 103065 in /build/reproducible-path/mopac-23.1.2/tests and -28.709698 on output line 103081 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between -5.341196 on reference line 103067 in /build/reproducible-path/mopac-23.1.2/tests and -5.34202 on output line 103083 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between 15.300927 on reference line 103068 in /build/reproducible-path/mopac-23.1.2/tests and 15.302878 on output line 103084 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between -55.397921 on reference line 103070 in /build/reproducible-path/mopac-23.1.2/tests and -55.398657 on output line 103086 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between -73.066573 on reference line 103071 in /build/reproducible-path/mopac-23.1.2/tests and -73.065213 on output line 103087 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between 30.117805 on reference line 103076 in /build/reproducible-path/mopac-23.1.2/tests and 30.117094 on output line 103092 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between -40.746604 on reference line 103077 in /build/reproducible-path/mopac-23.1.2/tests and -40.74791 on output line 103093 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between -470.040085 on reference line 103556 in /build/reproducible-path/mopac-23.1.2/tests and -470.04037 on output line 103572 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between 0.00465 on reference line 103557 in /build/reproducible-path/mopac-23.1.2/tests and 0.00495 on output line 103573 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between -470.038722 on reference line 103559 in /build/reproducible-path/mopac-23.1.2/tests and -470.038933 on output line 103575 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between -0.006155 on reference line 103560 in /build/reproducible-path/mopac-23.1.2/tests and -0.006482 on output line 103576 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between -0.001939 on reference line 103561 in /build/reproducible-path/mopac-23.1.2/tests and -0.002056 on output line 103577 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between -470.039093 on reference line 103562 in /build/reproducible-path/mopac-23.1.2/tests and -470.039325 on output line 103578 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between 0.004095 on reference line 103563 in /build/reproducible-path/mopac-23.1.2/tests and 0.004327 on output line 103579 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between -470.039782 on reference line 103565 in /build/reproducible-path/mopac-23.1.2/tests and -470.040048 on output line 103581 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between -0.006717 on reference line 103566 in /build/reproducible-path/mopac-23.1.2/tests and -0.007089 on output line 103582 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between -470.037736 on reference line 103568 in /build/reproducible-path/mopac-23.1.2/tests and -470.037897 on output line 103584 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between 0.005486 on reference line 103569 in /build/reproducible-path/mopac-23.1.2/tests and 0.005819 on output line 103585 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between -470.038009 on reference line 103571 in /build/reproducible-path/mopac-23.1.2/tests and -470.038183 on output line 103587 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between -332.369586 on reference line 103778 in /build/reproducible-path/mopac-23.1.2/tests and -332.366538 on output line 103794 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between -664.737851 on reference line 103779 in /build/reproducible-path/mopac-23.1.2/tests and -664.732704 on output line 103795 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between -870.802632 on reference line 103780 in /build/reproducible-path/mopac-23.1.2/tests and -870.794355 on output line 103796 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between 0.002109 on reference line 103781 in /build/reproducible-path/mopac-23.1.2/tests and 0.000471 on output line 103797 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between -870.801425 on reference line 103782 in /build/reproducible-path/mopac-23.1.2/tests and -870.794181 on output line 103798 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between 0.000449 on reference line 103783 in /build/reproducible-path/mopac-23.1.2/tests and 0.00028 on output line 103799 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between -470.037656 on reference line 103784 in /build/reproducible-path/mopac-23.1.2/tests and -470.036602 on output line 103800 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between 0.004168 on reference line 103785 in /build/reproducible-path/mopac-23.1.2/tests and 0.000799 on output line 103801 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between -470.040168 on reference line 103787 in /build/reproducible-path/mopac-23.1.2/tests and -470.036778 on output line 103803 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between 0.001314 on reference line 103788 in /build/reproducible-path/mopac-23.1.2/tests and 0.000313 on output line 103804 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between -0.002424 on reference line 103789 in /build/reproducible-path/mopac-23.1.2/tests and -0.000316 on output line 103805 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between -470.042827 on reference line 103790 in /build/reproducible-path/mopac-23.1.2/tests and -470.037256 on output line 103806 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between -0.001401 on reference line 103791 in /build/reproducible-path/mopac-23.1.2/tests and -0.000226 on output line 103807 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between -37.67949 on reference line 103827 in /build/reproducible-path/mopac-23.1.2/tests and -37.67962 on output line 103843 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between -37.67949 on reference line 103827 in /build/reproducible-path/mopac-23.1.2/tests and -37.67962 on output line 103843 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between -37.67949 on reference line 103827 in /build/reproducible-path/mopac-23.1.2/tests and -37.67962 on output line 103843 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between -37.17623 on reference line 103827 in /build/reproducible-path/mopac-23.1.2/tests and -37.17636 on output line 103843 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between -37.17623 on reference line 103827 in /build/reproducible-path/mopac-23.1.2/tests and -37.17636 on output line 103843 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between -0.08134 on reference line 103831 in /build/reproducible-path/mopac-23.1.2/tests and -0.08098 on output line 103847 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between 71.04211 on reference line 103831 in /build/reproducible-path/mopac-23.1.2/tests and 71.04226 on output line 103847 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between 72.69617 on reference line 103831 in /build/reproducible-path/mopac-23.1.2/tests and 72.69638 on output line 103847 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between 73.04709 on reference line 103831 in /build/reproducible-path/mopac-23.1.2/tests and 73.04727 on output line 103847 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between 73.04709 on reference line 103831 in /build/reproducible-path/mopac-23.1.2/tests and 73.04727 on output line 103847 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between 73.0471 on reference line 103831 in /build/reproducible-path/mopac-23.1.2/tests and 73.04727 on output line 103847 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between 73.6628 on reference line 103831 in /build/reproducible-path/mopac-23.1.2/tests and 73.66298 on output line 103847 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between 73.6628 on reference line 103831 in /build/reproducible-path/mopac-23.1.2/tests and 73.66298 on output line 103847 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between 73.66281 on reference line 103832 in /build/reproducible-path/mopac-23.1.2/tests and 73.66298 on output line 103848 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between 73.83308 on reference line 103832 in /build/reproducible-path/mopac-23.1.2/tests and 73.83328 on output line 103848 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between 73.83309 on reference line 103832 in /build/reproducible-path/mopac-23.1.2/tests and 73.83328 on output line 103848 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between 74.93921 on reference line 103832 in /build/reproducible-path/mopac-23.1.2/tests and 74.93937 on output line 103848 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between 74.93922 on reference line 103832 in /build/reproducible-path/mopac-23.1.2/tests and 74.93937 on output line 103848 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between 74.93922 on reference line 103832 in /build/reproducible-path/mopac-23.1.2/tests and 74.93937 on output line 103848 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between 75.64308 on reference line 103832 in /build/reproducible-path/mopac-23.1.2/tests and 75.64328 on output line 103848 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between 75.64309 on reference line 103832 in /build/reproducible-path/mopac-23.1.2/tests and 75.64328 on output line 103848 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between 75.64309 on reference line 103833 in /build/reproducible-path/mopac-23.1.2/tests and 75.64328 on output line 103849 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between 76.04772 on reference line 103833 in /build/reproducible-path/mopac-23.1.2/tests and 76.04791 on output line 103849 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between 76.04773 on reference line 103833 in /build/reproducible-path/mopac-23.1.2/tests and 76.04791 on output line 103849 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between 76.04773 on reference line 103833 in /build/reproducible-path/mopac-23.1.2/tests and 76.04791 on output line 103849 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between 76.09798 on reference line 103833 in /build/reproducible-path/mopac-23.1.2/tests and 76.09818 on output line 103849 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between 76.09799 on reference line 103833 in /build/reproducible-path/mopac-23.1.2/tests and 76.09819 on output line 103849 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between 76.09799 on reference line 103833 in /build/reproducible-path/mopac-23.1.2/tests and 76.09819 on output line 103849 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between 76.22469 on reference line 103833 in /build/reproducible-path/mopac-23.1.2/tests and 76.22486 on output line 103849 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between 76.22469 on reference line 103834 in /build/reproducible-path/mopac-23.1.2/tests and 76.22486 on output line 103850 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between 76.2247 on reference line 103834 in /build/reproducible-path/mopac-23.1.2/tests and 76.22486 on output line 103850 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between 76.40574 on reference line 103834 in /build/reproducible-path/mopac-23.1.2/tests and 76.4059 on output line 103850 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between 76.40574 on reference line 103834 in /build/reproducible-path/mopac-23.1.2/tests and 76.4059 on output line 103850 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between 77.24997 on reference line 103834 in /build/reproducible-path/mopac-23.1.2/tests and 77.25019 on output line 103850 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between 77.24999 on reference line 103834 in /build/reproducible-path/mopac-23.1.2/tests and 77.25019 on output line 103850 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between 78.03018 on reference line 103834 in /build/reproducible-path/mopac-23.1.2/tests and 78.03039 on output line 103850 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between 2.198131 on reference line 103843 in /build/reproducible-path/mopac-23.1.2/tests and 2.198257 on output line 103859 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between 5.8019 on reference line 103843 in /build/reproducible-path/mopac-23.1.2/tests and 5.8017 on output line 103859 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +1: WARNING: numerical mismatch between 3.39311 on reference line 103843 in /build/reproducible-path/mopac-23.1.2/tests and 3.39299 on output line 103859 in /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/mopac +122/124 Test #1: port ............................. Passed 24.12 sec 3: 3: -3: MOPAC Job: "test_Lewis_for_Proteins.mop" ended normally on Mar 9, 2025, at 22:46. +3: MOPAC Job: "test_Lewis_for_Proteins.mop" ended normally on Apr 13, 2026, at 07:12. 3: -123/124 Test #3: mozyme ........................... Passed 114.67 sec +123/124 Test #3: mozyme ........................... Passed 43.74 sec 2: 2: -2: MOPAC Job: "Crambin_1SCF.mop" ended normally on Mar 9, 2025, at 22:47. +2: MOPAC Job: "Crambin_1SCF.mop" ended normally on Apr 13, 2026, at 07:12. 2: -124/124 Test #2: crambin .......................... Passed 123.03 sec +124/124 Test #2: crambin .......................... Passed 48.63 sec 100% tests passed, 0 tests failed out of 124 -Total Test time (real) = 123.13 sec +Total Test time (real) = 48.64 sec make[1]: Leaving directory '/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu' create-stamp debian/debhelper-build-stamp dh_prep debian/rules override_dh_auto_install make[1]: Entering directory '/build/reproducible-path/mopac-23.1.2' dh_auto_install - cd obj-i686-linux-gnu && make -j11 install DESTDIR=/build/reproducible-path/mopac-23.1.2/debian/mopac AM_UPDATE_INFO_DIR=no + cd obj-i686-linux-gnu && make -j21 install DESTDIR=/build/reproducible-path/mopac-23.1.2/debian/mopac AM_UPDATE_INFO_DIR=no make[2]: Entering directory '/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu' /usr/bin/cmake -S/build/reproducible-path/mopac-23.1.2 -B/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu --check-build-system CMakeFiles/Makefile.cmake 0 /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/CMakeFiles /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu//CMakeFiles/progress.marks @@ -5928,8 +6022,8 @@ make[4]: Nothing to be done for 'CMakeFiles/mopac-makpol.dir/build'. make[4]: Leaving directory '/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu' -[ 6%] Built target mopac-makpol make -f CMakeFiles/mopac-core.dir/build.make CMakeFiles/mopac-core.dir/build +[ 6%] Built target mopac-makpol make[4]: Entering directory '/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu' make[4]: Nothing to be done for 'CMakeFiles/mopac-core.dir/build'. make[4]: Leaving directory '/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu' @@ -5944,21 +6038,21 @@ make[4]: Entering directory '/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu' cd /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/mopac-23.1.2 /build/reproducible-path/mopac-23.1.2 /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu /build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu/CMakeFiles/mopac-api-test.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu' -make -f CMakeFiles/mopac.dir/build.make CMakeFiles/mopac.dir/build -make[4]: Leaving directory '/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu' -make -f CMakeFiles/mopac-param.dir/build.make CMakeFiles/mopac-param.dir/build make -f CMakeFiles/mopac-api-test.dir/build.make CMakeFiles/mopac-api-test.dir/build +make -f CMakeFiles/mopac.dir/build.make CMakeFiles/mopac.dir/build make[4]: Entering directory '/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu' -make[4]: Nothing to be done for 'CMakeFiles/mopac.dir/build'. +make[4]: Nothing to be done for 'CMakeFiles/mopac-api-test.dir/build'. make[4]: Leaving directory '/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu' make[4]: Entering directory '/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu' -make[4]: Nothing to be done for 'CMakeFiles/mopac-param.dir/build'. +make[4]: Nothing to be done for 'CMakeFiles/mopac.dir/build'. +make[4]: Leaving directory '/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu' +make -f CMakeFiles/mopac-param.dir/build.make CMakeFiles/mopac-param.dir/build make[4]: Entering directory '/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu' -make[4]: Nothing to be done for 'CMakeFiles/mopac-api-test.dir/build'. +make[4]: Nothing to be done for 'CMakeFiles/mopac-param.dir/build'. make[4]: Leaving directory '/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu' -[ 98%] Built target mopac +[ 99%] Built target mopac [ 99%] Built target mopac-api-test [100%] Built target mopac-param make[3]: Leaving directory '/build/reproducible-path/mopac-23.1.2/obj-i686-linux-gnu' @@ -6006,12 +6100,14 @@ dpkg-buildpackage: info: binary-only upload (no source included) dpkg-genchanges: info: including full source code in upload I: copying local configuration +I: user script /srv/workspace/pbuilder/102758/tmp/hooks/B01_cleanup starting +I: user script /srv/workspace/pbuilder/102758/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/33560 and its subdirectories -I: Current time: Sun Mar 9 22:47:24 -12 2025 -I: pbuilder-time-stamp: 1741603644 +I: removing directory /srv/workspace/pbuilder/102758 and its subdirectories +I: Current time: Mon Apr 13 07:12:31 +14 2026 +I: pbuilder-time-stamp: 1776013951