Diff of the two buildlogs: -- --- b1/build.log 2025-02-17 14:05:35.038624463 +0000 +++ b2/build.log 2025-02-17 14:07:34.425247060 +0000 @@ -1,6 +1,6 @@ I: pbuilder: network access will be disabled during build -I: Current time: Mon Feb 17 02:01:44 -12 2025 -I: pbuilder-time-stamp: 1739800904 +I: Current time: Mon Mar 23 10:28:37 +14 2026 +I: pbuilder-time-stamp: 1774211317 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/unstable-reproducible-base.tgz] I: copying local configuration @@ -27,52 +27,84 @@ dpkg-source: info: applying disable_failing_tests.patch I: using fakeroot in build. I: Installing the build-deps -I: user script /srv/workspace/pbuilder/2057428/tmp/hooks/D02_print_environment starting +I: user script /srv/workspace/pbuilder/3993696/tmp/hooks/D01_modify_environment starting +debug: Running on ionos5-amd64. +I: Changing host+domainname to test build reproducibility +I: Adding a custom variable just for the fun of it... +I: Changing /bin/sh to bash +'/bin/sh' -> '/bin/bash' +lrwxrwxrwx 1 root root 9 Mar 22 20:28 /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/3993696/tmp/hooks/D01_modify_environment finished +I: user script /srv/workspace/pbuilder/3993696/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='amd64' - DEBIAN_FRONTEND='noninteractive' - DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=20 ' - DISTRIBUTION='unstable' - HOME='/root' - HOST_ARCH='amd64' + 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]="x86_64-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=amd64 + DEBIAN_FRONTEND=noninteractive + DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=42 ' + DIRSTACK=() + DISTRIBUTION=unstable + EUID=0 + FUNCNAME=([0]="Echo" [1]="main") + GROUPS=() + HOME=/root + HOSTNAME=i-capture-the-hostname + HOSTTYPE=x86_64 + HOST_ARCH=amd64 IFS=' ' - INVOCATION_ID='a3487b6ae00d483f8f571beddfe9ce18' - LANG='C' - LANGUAGE='en_US:en' - LC_ALL='C' - MAIL='/var/mail/root' - OPTIND='1' - PATH='/usr/sbin:/usr/bin:/sbin:/bin:/usr/games' - PBCURRENTCOMMANDLINEOPERATION='build' - PBUILDER_OPERATION='build' - PBUILDER_PKGDATADIR='/usr/share/pbuilder' - PBUILDER_PKGLIBDIR='/usr/lib/pbuilder' - PBUILDER_SYSCONFDIR='/etc' - PPID='2057428' - PS1='# ' - PS2='> ' + INVOCATION_ID=24fc0bb126d147e6814c066af24949ed + LANG=C + LANGUAGE=et_EE:et + LC_ALL=C + MACHTYPE=x86_64-pc-linux-gnu + MAIL=/var/mail/root + OPTERR=1 + OPTIND=1 + OSTYPE=linux-gnu + PATH=/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path + PBCURRENTCOMMANDLINEOPERATION=build + PBUILDER_OPERATION=build + PBUILDER_PKGDATADIR=/usr/share/pbuilder + PBUILDER_PKGLIBDIR=/usr/lib/pbuilder + PBUILDER_SYSCONFDIR=/etc + PIPESTATUS=([0]="0") + POSIXLY_CORRECT=y + PPID=3993696 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.o8qAirq0/pbuilderrc_fFj1 --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.o8qAirq0/b1 --logfile b1/build.log mopac_23.0.3-1.dsc' - SUDO_GID='111' - SUDO_UID='106' - 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.o8qAirq0/pbuilderrc_xumH --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.o8qAirq0/b2 --logfile b2/build.log mopac_23.0.3-1.dsc' + SUDO_GID=110 + SUDO_UID=105 + 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 ionos11-amd64 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 6.12.9+bpo-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.12.9-1~bpo12+1 (2025-01-19) x86_64 GNU/Linux I: ls -l /bin - lrwxrwxrwx 1 root root 7 Nov 22 14:40 /bin -> usr/bin -I: user script /srv/workspace/pbuilder/2057428/tmp/hooks/D02_print_environment finished + lrwxrwxrwx 1 root root 7 Nov 22 2024 /bin -> usr/bin +I: user script /srv/workspace/pbuilder/3993696/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy @@ -204,7 +236,7 @@ Get: 82 http://deb.debian.org/debian unstable/main amd64 liblapack-dev amd64 3.12.1-2 [4998 kB] Get: 83 http://deb.debian.org/debian unstable/main amd64 python3-numpy-dev amd64 1:2.2.2+ds-2 [138 kB] Get: 84 http://deb.debian.org/debian unstable/main amd64 python3-numpy amd64 1:2.2.2+ds-2 [7507 kB] -Fetched 75.9 MB in 5s (16.1 MB/s) +Fetched 75.9 MB in 2s (44.7 MB/s) Preconfiguring packages ... Selecting previously unselected package libpython3.13-minimal:amd64. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 19855 files and directories currently installed.) @@ -491,8 +523,8 @@ Setting up tzdata (2025a-2) ... Current default time zone: 'Etc/UTC' -Local time is now: Mon Feb 17 14:02:44 UTC 2025. -Universal Time is now: Mon Feb 17 14:02:44 UTC 2025. +Local time is now: Sun Mar 22 20:29:20 UTC 2026. +Universal Time is now: Sun Mar 22 20:29:20 UTC 2026. Run 'dpkg-reconfigure tzdata' if you wish to change it. Setting up autotools-dev (20220109.1) ... @@ -578,7 +610,11 @@ 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-23.0.3/ && 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_23.0.3-1_source.changes +I: user script /srv/workspace/pbuilder/3993696/tmp/hooks/A99_set_merged_usr starting +Not re-configuring usrmerge for unstable +I: user script /srv/workspace/pbuilder/3993696/tmp/hooks/A99_set_merged_usr finished +hostname: Name or service not known +I: Running cd /build/reproducible-path/mopac-23.0.3/ && 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_23.0.3-1_source.changes dpkg-buildpackage: info: source package mopac dpkg-buildpackage: info: source version 23.0.3-1 dpkg-buildpackage: info: source distribution unstable @@ -628,8 +664,8 @@ -- 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 (4.4s) --- Generating done (0.2s) +-- Configuring done (5.7s) +-- Generating done (0.1s) CMake Warning: Manually-specified variables were not used by the project: @@ -640,7 +676,7 @@ -- Build files have been written to: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu dh_auto_build - cd obj-x86_64-linux-gnu && make -j20 VERBOSE=1 + cd obj-x86_64-linux-gnu && make -j42 VERBOSE=1 make[1]: Entering directory '/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu' /usr/bin/cmake -S/build/reproducible-path/mopac-23.0.3 -B/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu --check-build-system CMakeFiles/Makefile.cmake 0 /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/CMakeFiles /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu//CMakeFiles/progress.marks @@ -654,281 +690,281 @@ cd /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/mopac-23.0.3 /build/reproducible-path/mopac-23.0.3 /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/CMakeFiles/mopac-core.dir/DependInfo.cmake "--color=" Dependee "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/CMakeFiles/mopac-makpol.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/CMakeFiles/mopac-makpol.dir/depend.internal". Dependee "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/CMakeFiles/mopac-makpol.dir/depend.internal". +Dependee "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/CMakeFiles/mopac-core.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/CMakeFiles/mopac-core.dir/depend.internal". +Dependee "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/CMakeFiles/mopac-core.dir/depend.internal". Scanning dependencies of target mopac-makpol make[3]: Leaving directory '/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu' make -f CMakeFiles/mopac-makpol.dir/build.make CMakeFiles/mopac-makpol.dir/build -Dependee "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/CMakeFiles/mopac-core.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/CMakeFiles/mopac-core.dir/depend.internal". -Dependee "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/CMakeFiles/mopac-core.dir/depend.internal". make[3]: Entering directory '/build/reproducible-path/mopac-23.0.3/obj-x86_64-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_symult.F90.o -[ 1%] Building Fortran object 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CMakeFiles/mopac-makpol.dir/src/makpol/common_atomtx.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-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -c /build/reproducible-path/mopac-23.0.3/src/makpol/common_ctvec.F90 -o CMakeFiles/mopac-makpol.dir/src/makpol/common_ctvec.F90.o -[ 3%] Building Fortran object CMakeFiles/mopac-makpol.dir/src/makpol/common_systm.F90.o -[ 3%] Building Fortran object CMakeFiles/mopac-makpol.dir/src/makpol/mod_atomradii.F90.o -/usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -c /build/reproducible-path/mopac-23.0.3/src/makpol/common_elemts.F90 -o CMakeFiles/mopac-makpol.dir/src/makpol/common_elemts.F90.o /usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong 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-fstack-protector-strong -fstack-clash-protection -fcf-protection -c /build/reproducible-path/mopac-23.0.3/src/makpol/common_atomtx.F90 -o CMakeFiles/mopac-makpol.dir/src/makpol/common_atomtx.F90.o +/usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -c /build/reproducible-path/mopac-23.0.3/src/makpol/common_elemts.F90 -o CMakeFiles/mopac-makpol.dir/src/makpol/common_elemts.F90.o +[ 3%] Building Fortran object CMakeFiles/mopac-makpol.dir/src/makpol/common_systm.F90.o +[ 3%] Building Fortran object CMakeFiles/mopac-makpol.dir/src/makpol/common_keywrd.F90.o +[ 3%] 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-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -c /build/reproducible-path/mopac-23.0.3/src/makpol/common_sizes.F90 -o CMakeFiles/mopac-makpol.dir/src/makpol/common_sizes.F90.o -/usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -c /build/reproducible-path/mopac-23.0.3/src/makpol/common_symult.F90 -o CMakeFiles/mopac-makpol.dir/src/makpol/common_symult.F90.o +[ 3%] Building Fortran object CMakeFiles/mopac-makpol.dir/src/makpol/common_titles.F90.o +[ 3%] Building Fortran object CMakeFiles/mopac-makpol.dir/src/makpol/mod_atomradii.F90.o /usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -c /build/reproducible-path/mopac-23.0.3/src/makpol/common_systm.F90 -o CMakeFiles/mopac-makpol.dir/src/makpol/common_systm.F90.o +/usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -c /build/reproducible-path/mopac-23.0.3/src/makpol/common_symult.F90 -o CMakeFiles/mopac-makpol.dir/src/makpol/common_symult.F90.o +/usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -c /build/reproducible-path/mopac-23.0.3/src/makpol/common_keywrd.F90 -o CMakeFiles/mopac-makpol.dir/src/makpol/common_keywrd.F90.o /usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -c /build/reproducible-path/mopac-23.0.3/src/makpol/common_titles.F90 -o CMakeFiles/mopac-makpol.dir/src/makpol/common_titles.F90.o /usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -c /build/reproducible-path/mopac-23.0.3/src/makpol/mod_atomradii.F90 -o CMakeFiles/mopac-makpol.dir/src/makpol/mod_atomradii.F90.o -/usr/bin/cmake -E cmake_copy_f90_mod common_ctvec.mod CMakeFiles/mopac-makpol.dir/common_ctvec.mod.stamp GNU -/usr/bin/cmake -E cmake_copy_f90_mod common_jobnam.mod CMakeFiles/mopac-makpol.dir/common_jobnam.mod.stamp GNU -/usr/bin/cmake -E cmake_copy_f90_mod common_elemts.mod CMakeFiles/mopac-makpol.dir/common_elemts.mod.stamp GNU -/usr/bin/cmake -E cmake_copy_f90_mod common_geosym.mod CMakeFiles/mopac-makpol.dir/common_geosym.mod.stamp GNU -/usr/bin/cmake -E cmake_copy_f90_mod common_sizes.mod CMakeFiles/mopac-makpol.dir/common_sizes.mod.stamp GNU -/usr/bin/cmake -E cmake_copy_f90_mod common_keywrd.mod CMakeFiles/mopac-makpol.dir/common_keywrd.mod.stamp GNU -/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_symult.mod CMakeFiles/mopac-makpol.dir/common_symult.mod.stamp GNU -/usr/bin/cmake -E cmake_copy_f90_mod common_systm.mod CMakeFiles/mopac-makpol.dir/common_systm.mod.stamp GNU -/usr/bin/cmake -E cmake_copy_f90_mod common_titles.mod CMakeFiles/mopac-makpol.dir/common_titles.mod.stamp GNU -/usr/bin/cmake -E touch CMakeFiles/mopac-makpol.dir/src/makpol/common_ctvec.F90.o.provides.build -/usr/bin/cmake -E touch CMakeFiles/mopac-makpol.dir/src/makpol/common_geosym.F90.o.provides.build -/usr/bin/cmake -E cmake_copy_f90_mod mod_atomradii.mod CMakeFiles/mopac-makpol.dir/mod_atomradii.mod.stamp GNU -/usr/bin/cmake -E touch CMakeFiles/mopac-makpol.dir/src/makpol/common_elemts.F90.o.provides.build -/usr/bin/cmake -E touch CMakeFiles/mopac-makpol.dir/src/makpol/common_jobnam.F90.o.provides.build -/usr/bin/cmake -E touch CMakeFiles/mopac-makpol.dir/src/makpol/common_sizes.F90.o.provides.build -/usr/bin/cmake -E touch CMakeFiles/mopac-makpol.dir/src/makpol/common_symult.F90.o.provides.build -/usr/bin/cmake -E touch CMakeFiles/mopac-makpol.dir/src/makpol/common_keywrd.F90.o.provides.build -/usr/bin/cmake -E touch CMakeFiles/mopac-makpol.dir/src/makpol/common_atomtx.F90.o.provides.build 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CMakeFiles/mopac-core.dir/src/MOZYME/kab_for_MOZYME.F90.o +[ 13%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/local2.F90.o +/usr/bin/cmake -E touch CMakeFiles/mopac-makpol.dir/src/makpol/common_jobnam.F90.o.provides.build +/usr/bin/cmake -E touch CMakeFiles/mopac-makpol.dir/src/makpol/common_keywrd.F90.o.provides.build +[ 13%] Building Fortran object CMakeFiles/mopac-makpol.dir/src/makpol/setcuc.F90.o +/usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -c /build/reproducible-path/mopac-23.0.3/src/makpol/maksym.F90 -o CMakeFiles/mopac-makpol.dir/src/makpol/maksym.F90.o +/usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -c /build/reproducible-path/mopac-23.0.3/src/makpol/setcuc.F90 -o CMakeFiles/mopac-makpol.dir/src/makpol/setcuc.F90.o +[ 14%] Building Fortran object CMakeFiles/mopac-makpol.dir/src/makpol/standard.F90.o +[ 14%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/epseta.F90.o +/usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -c /build/reproducible-path/mopac-23.0.3/src/makpol/standard.F90 -o CMakeFiles/mopac-makpol.dir/src/makpol/standard.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/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=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/MOZYME/fock1_for_MOZYME.F90 -o 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 +[ 15%] Building Fortran object CMakeFiles/mopac-makpol.dir/src/makpol/symtry.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/MOZYME/epseta.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/epseta.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/MOZYME/jab_for_MOZYME.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/jab_for_MOZYME.F90.o +[ 15%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/fock1_for_MOZYME.F90.o +/usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -c /build/reproducible-path/mopac-23.0.3/src/makpol/symtry.F90 -o CMakeFiles/mopac-makpol.dir/src/makpol/symtry.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/MOZYME/fock1_for_MOZYME.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/fock1_for_MOZYME.F90.o [ 15%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/copyc6.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c 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-[ 16%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/deri0.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/forces/deri0.F90 -o CMakeFiles/mopac-core.dir/src/forces/deri0.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/forces/xyzcry.F90 -o CMakeFiles/mopac-core.dir/src/forces/xyzcry.F90.o +[ 16%] Building Fortran object CMakeFiles/mopac-makpol.dir/src/makpol/cell.F90.o +/usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -c 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CMakeFiles/mopac-makpol.dir/src/makpol/geout.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/forces/deri21.F90 -o CMakeFiles/mopac-core.dir/src/forces/deri21.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/geometry/dang.F90 -o CMakeFiles/mopac-core.dir/src/geometry/dang.F90.o +[ 17%] Building Fortran object CMakeFiles/mopac-makpol.dir/src/makpol/getpdb.F90.o +[ 17%] Building Fortran object CMakeFiles/mopac-makpol.dir/src/makpol/gettxt.F90.o [ 17%] Building Fortran object CMakeFiles/mopac-core.dir/src/geometry/volume.F90.o +/usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -c /build/reproducible-path/mopac-23.0.3/src/makpol/getpdb.F90 -o CMakeFiles/mopac-makpol.dir/src/makpol/getpdb.F90.o [ 17%] Building Fortran object CMakeFiles/mopac-core.dir/src/geometry/cross.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/geometry/volume.F90 -o CMakeFiles/mopac-core.dir/src/geometry/volume.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/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=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/geometry/volume.F90 -o CMakeFiles/mopac-core.dir/src/geometry/volume.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/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=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/input/nuchar.F90 -o CMakeFiles/mopac-core.dir/src/input/nuchar.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/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 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -c /build/reproducible-path/mopac-23.0.3/src/makpol/gettxt.F90 -o CMakeFiles/mopac-makpol.dir/src/makpol/gettxt.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/geometry/cross.F90 -o CMakeFiles/mopac-core.dir/src/geometry/cross.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/input/nuchar.F90 -o CMakeFiles/mopac-core.dir/src/input/nuchar.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/input/getval.F90 -o CMakeFiles/mopac-core.dir/src/input/getval.F90.o +[ 17%] Building Fortran object CMakeFiles/mopac-core.dir/src/input/myword.F90.o [ 17%] Building Fortran object CMakeFiles/mopac-core.dir/src/integrals/jab.F90.o -[ 17%] Building Fortran object CMakeFiles/mopac-core.dir/src/integrals/kab.F90.o [ 17%] Building Fortran object CMakeFiles/mopac-core.dir/src/integrals/helect.F90.o +[ 17%] Building Fortran object CMakeFiles/mopac-core.dir/src/integrals/kab.F90.o +[ 17%] Building Fortran object CMakeFiles/mopac-core.dir/src/integrals/coe.F90.o +[ 18%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/schmib.F90.o +[ 18%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/linpack.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/integrals/kab.F90 -o CMakeFiles/mopac-core.dir/src/integrals/kab.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection 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CMakeFiles/mopac-core.dir/src/matrix/density_for_GPU.F90.o +[ 19%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/mtxmc.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/matrix/densit.F90 -o CMakeFiles/mopac-core.dir/src/matrix/densit.F90.o -[ 18%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/mxmt.F90.o +[ 19%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/mxmt.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/matrix/density_for_GPU.F90 -o CMakeFiles/mopac-core.dir/src/matrix/density_for_GPU.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" 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-fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/matrix/diag_for_GPU.F90 -o CMakeFiles/mopac-core.dir/src/matrix/diag_for_GPU.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/matrix/mult_symm_AB.F90 -o CMakeFiles/mopac-core.dir/src/matrix/mult_symm_AB.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/matrix/mtxm.F90 -o CMakeFiles/mopac-core.dir/src/matrix/mtxm.F90.o -[ 21%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/schmit.F90.o -[ 21%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/supdot.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/matrix/supdot.F90 -o CMakeFiles/mopac-core.dir/src/matrix/supdot.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/matrix/schmit.F90 -o CMakeFiles/mopac-core.dir/src/matrix/schmit.F90.o -[ 22%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/mxm.F90.o -[ 22%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/rsp.F90.o +[ 21%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/mxm.F90.o +[ 21%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/rsp.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/matrix/mxm.F90 -o CMakeFiles/mopac-core.dir/src/matrix/mxm.F90.o -[ 22%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/mult.F90.o -[ 23%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/dot.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/matrix/rsp.F90 -o CMakeFiles/mopac-core.dir/src/matrix/rsp.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong 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CMakeFiles/mopac-core.dir/src/matrix/dot.F90.o -[ 23%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/mamult.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/matrix/mult.F90 -o CMakeFiles/mopac-core.dir/src/matrix/mult.F90.o [ 23%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/minv.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/matrix/mamult.F90 -o CMakeFiles/mopac-core.dir/src/matrix/mamult.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/matrix/minv.F90 -o CMakeFiles/mopac-core.dir/src/matrix/minv.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/ddiag.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/matrix/osinv.F90 -o CMakeFiles/mopac-core.dir/src/matrix/osinv.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/matrix/ddiag.F90 -o CMakeFiles/mopac-core.dir/src/matrix/ddiag.F90.o -[ 24%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/diagi.F90.o [ 24%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/aabacd.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/meci/diagi.F90 -o CMakeFiles/mopac-core.dir/src/meci/diagi.F90.o +[ 24%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/mamult.F90.o [ 24%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/babbcd.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/matrix/mamult.F90 -o CMakeFiles/mopac-core.dir/src/matrix/mamult.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" 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-fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/meci/babbcd.F90 -o CMakeFiles/mopac-core.dir/src/meci/babbcd.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/meci/diagi.F90 -o CMakeFiles/mopac-core.dir/src/meci/diagi.F90.o +[ 24%] Building Fortran object CMakeFiles/mopac-core.dir/src/output/xxx.F90.o +[ 24%] Building Fortran object CMakeFiles/mopac-core.dir/src/optimization/exchng.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/output/xxx.F90 -o CMakeFiles/mopac-core.dir/src/output/xxx.F90.o /usr/bin/f95 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CMakeFiles/mopac-core.dir/src/potentials/genun.F90.o -[ 26%] Building Fortran object CMakeFiles/mopac-core.dir/src/reactions/quadr.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/reactions/quadr.F90 -o CMakeFiles/mopac-core.dir/src/reactions/quadr.F90.o -[ 26%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/symopr.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/symmetry/symopr.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/symopr.F90.o -[ 27%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/rotmol.F90.o -[ 27%] Building Fortran object CMakeFiles/mopac-core.dir/src/utilities/prttim.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/symmetry/rotmol.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/rotmol.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/utilities/prttim.F90 -o CMakeFiles/mopac-core.dir/src/utilities/prttim.F90.o -[ 28%] Building Fortran object CMakeFiles/mopac-core.dir/src/utilities/upcase.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp 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/build/reproducible-path/mopac-23.0.3/src/reactions/quadr.F90 -o CMakeFiles/mopac-core.dir/src/reactions/quadr.F90.o /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/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/utilities/reada.F90 -o 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/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 +[ 26%] Building Fortran object CMakeFiles/mopac-core.dir/src/utilities/prttim.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/utilities/prttim.F90 -o CMakeFiles/mopac-core.dir/src/utilities/prttim.F90.o +[ 26%] Building Fortran object CMakeFiles/mopac-core.dir/src/utilities/reada.F90.o +[ 27%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/rotmol.F90.o /usr/bin/cmake -E cmake_copy_f90_mod molkst_c.mod CMakeFiles/mopac-core.dir/molkst_c.mod.stamp GNU +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/symmetry/rotmol.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/rotmol.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/utilities/reada.F90 -o CMakeFiles/mopac-core.dir/src/utilities/reada.F90.o /usr/bin/cmake -E cmake_copy_f90_mod conref_c.mod CMakeFiles/mopac-core.dir/conref_c.mod.stamp GNU /usr/bin/cmake -E cmake_copy_f90_mod elemts_c.mod CMakeFiles/mopac-core.dir/elemts_c.mod.stamp GNU /usr/bin/cmake -E cmake_copy_f90_mod funcon_c.mod CMakeFiles/mopac-core.dir/funcon_c.mod.stamp GNU /usr/bin/cmake -E cmake_copy_f90_mod mndod_c.mod CMakeFiles/mopac-core.dir/mndod_c.mod.stamp GNU /usr/bin/cmake -E cmake_copy_f90_mod mopac_api.mod CMakeFiles/mopac-core.dir/mopac_api.mod.stamp GNU +[ 28%] Building Fortran object CMakeFiles/mopac-core.dir/src/utilities/upcase.F90.o +[ 27%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/symopr.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/utilities/upcase.F90 -o CMakeFiles/mopac-core.dir/src/utilities/upcase.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/symmetry/symopr.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/symopr.F90.o /usr/bin/cmake -E cmake_copy_f90_mod parameters_c.mod CMakeFiles/mopac-core.dir/parameters_c.mod.stamp GNU /usr/bin/cmake -E cmake_copy_f90_mod to_screen_c.mod CMakeFiles/mopac-core.dir/to_screen_c.mod.stamp GNU /usr/bin/cmake -E cmake_copy_f90_mod cosmo_c.mod CMakeFiles/mopac-core.dir/cosmo_c.mod.stamp GNU @@ -943,17 +979,7 @@ /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 /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_C.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/models/parameters_for_PM6_C.F90 -o CMakeFiles/mopac-core.dir/src/models/parameters_for_PM6_C.F90.o -[ 28%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/parameters_for_PM6_ORG_C.F90.o -[ 28%] 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=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/models/parameters_for_PM7_TS_C.F90 -o CMakeFiles/mopac-core.dir/src/models/parameters_for_PM7_TS_C.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/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=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/models/parameters_for_PM7_C.F90 -o CMakeFiles/mopac-core.dir/src/models/parameters_for_PM7_C.F90.o -[ 29%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/parameters_for_PM8_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 -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/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_rm1_sparkles_c.mod CMakeFiles/mopac-core.dir/parameters_for_rm1_sparkles_c.mod.stamp GNU /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 @@ -969,569 +995,572 @@ /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 /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/properties/CPE_Energy.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/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/symmetry/symmetry_C.F90.o.provides.build -[ 30%] Building Fortran object CMakeFiles/mopac-core.dir/src/solvation/afmm_C.F90.o +[ 29%] Building Fortran object CMakeFiles/mopac-core.dir/src/properties/CPE_Energy.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/properties/CPE_Energy.F90 -o CMakeFiles/mopac-core.dir/src/properties/CPE_Energy.F90.o +[ 29%] Building Fortran object CMakeFiles/mopac-core.dir/src/solvation/afmm_C.F90.o +[ 29%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/charst.F90.o +[ 30%] Building Fortran object CMakeFiles/mopac-core.dir/src/mopend.F90.o +[ 30%] Building Fortran object CMakeFiles/mopac-core.dir/src/moldat.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/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 +[ 30%] Building Fortran object CMakeFiles/mopac-core.dir/src/run_param.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/symmetry/charst.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/charst.F90.o [ 30%] Building Fortran object CMakeFiles/mopac-core.dir/src/run_mopac.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/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=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/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 -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c 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CMakeFiles/mopac-core.dir/src/INDO/integral.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/INDO/excite.F90 -o CMakeFiles/mopac-core.dir/src/INDO/excite.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/run_mopac.F90 -o CMakeFiles/mopac-core.dir/src/run_mopac.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/run_param.F90 -o CMakeFiles/mopac-core.dir/src/run_param.F90.o +[ 30%] Building Fortran object CMakeFiles/mopac-core.dir/src/INDO/rci.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/cosci.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/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 +[ 31%] Building Fortran object CMakeFiles/mopac-core.dir/src/INDO/excite.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/INDO/rci.F90 -o 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-fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/MOZYME/fillij.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/fillij.F90.o -[ 34%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/check.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/MOZYME/check.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/check.F90.o -[ 34%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/buildf.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/MOZYME/buildf.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/buildf.F90.o -[ 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-DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/PARAM/rapid0.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/rapid0.F90.o -[ 43%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/rapid1.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/PARAM/rapid1.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/rapid1.F90.o -[ 44%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/rapid3.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c 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/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/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 +[ 43%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/parkey.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/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 /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 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CMakeFiles/mopac-core.dir/src/PARAM/parfg.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/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 +[ 44%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/optgeo.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/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 +[ 44%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/pparsav.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/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 +[ 44%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/finish.F90.o +[ 44%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/savgeo.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/PARAM/finish.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/finish.F90.o -[ 45%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/savgeo.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/PARAM/savgeo.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/savgeo.F90.o -[ 46%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/depfn.F90.o +[ 45%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/depfn.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/PARAM/depfn.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/depfn.F90.o -[ 46%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/pargeo.F90.o +[ 45%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/pargeo.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/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 +[ 45%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/empire.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/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 +[ 46%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/parips.F90.o +[ 46%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/filusp.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/PARAM/filusp.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/filusp.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/PARAM/parips.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/parips.F90.o -[ 47%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/chkpar.F90.o +[ 46%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/chkpar.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" 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-fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/SCF/fock2.F90 -o CMakeFiles/mopac-core.dir/src/SCF/fock2.F90.o -[ 48%] Building Fortran object CMakeFiles/mopac-core.dir/src/SCF/local.F90.o +[ 47%] Building Fortran object CMakeFiles/mopac-core.dir/src/SCF/swap.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/SCF/swap.F90 -o CMakeFiles/mopac-core.dir/src/SCF/swap.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/SCF/local.F90 -o CMakeFiles/mopac-core.dir/src/SCF/local.F90.o -[ 48%] Building Fortran object 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/build/reproducible-path/mopac-23.0.3/src/SCF/iter.F90 -o CMakeFiles/mopac-core.dir/src/SCF/iter.F90.o +[ 48%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/findn1.F90.o +[ 48%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/atomrs.F90.o +[ 49%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/reseq.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/SCF/pulay.F90 -o CMakeFiles/mopac-core.dir/src/SCF/pulay.F90.o -[ 49%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/findn1.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c 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/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/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 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/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 /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong 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/build/reproducible-path/mopac-23.0.3/src/SCF/capcor.F90 -o CMakeFiles/mopac-core.dir/src/SCF/capcor.F90.o +[ 49%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/lyse.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/chemistry/lyse.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/lyse.F90.o -[ 51%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/greek.F90.o +[ 49%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/geochk_bits_2.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/chemistry/geochk_bits_2.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/geochk_bits_2.F90.o +[ 50%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/greek.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/chemistry/greek.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/greek.F90.o -[ 51%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/txtype.F90.o +[ 50%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/txtype.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/chemistry/txtype.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/txtype.F90.o -[ 51%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/add_hydrogen_atoms.F90.o +[ 50%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/add_hydrogen_atoms.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/chemistry/add_hydrogen_atoms.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/add_hydrogen_atoms.F90.o +[ 51%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/nxtmer.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/chemistry/nxtmer.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/nxtmer.F90.o [ 51%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/chklew.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/chemistry/chklew.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/chklew.F90.o +[ 51%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/chkion.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/chemistry/chkion.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/chkion.F90.o +[ 51%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/ligand.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 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CMakeFiles/mopac-core.dir/src/chemistry/geochk.F90.o -[ 53%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/ligand.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/chemistry/ligand.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/ligand.F90.o -[ 53%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/PDB3.F90.o -[ 53%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/dftd3_bits.F90.o +[ 52%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/PDB3.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/chemistry/PDB3.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/PDB3.F90.o +[ 52%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/dftd3_bits.F90.o +[ 53%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/dftd3.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=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/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 /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c 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CMakeFiles/mopac-core.dir/src/corrections/Hydrogen_bond_corrections.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/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 +[ 55%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/deriv.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/forces/deriv.F90 -o CMakeFiles/mopac-core.dir/src/forces/deriv.F90.o -[ 56%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/deri1.F90.o -[ 56%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/freqcy.F90.o +[ 55%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/deri1.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/forces/deri1.F90 -o CMakeFiles/mopac-core.dir/src/forces/deri1.F90.o +[ 55%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/freqcy.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/forces/freqcy.F90 -o CMakeFiles/mopac-core.dir/src/forces/freqcy.F90.o -[ 57%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/jcarin.F90.o +[ 56%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/jcarin.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/forces/jcarin.F90 -o CMakeFiles/mopac-core.dir/src/forces/jcarin.F90.o -[ 57%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/dcart.F90.o +[ 56%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/deri23.F90.o +[ 56%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/dcart.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/forces/dcart.F90 -o CMakeFiles/mopac-core.dir/src/forces/dcart.F90.o -[ 57%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/deri23.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/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 +[ 56%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/delsta.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/forces/delsta.F90 -o CMakeFiles/mopac-core.dir/src/forces/delsta.F90.o -[ 58%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/dfield.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/forces/dfield.F90 -o CMakeFiles/mopac-core.dir/src/forces/dfield.F90.o -[ 58%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/dfock2.F90.o +[ 56%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/dfock2.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/forces/dfock2.F90 -o CMakeFiles/mopac-core.dir/src/forces/dfock2.F90.o -[ 58%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/forsav.F90.o +[ 57%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/dfield.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/forces/dfield.F90 -o CMakeFiles/mopac-core.dir/src/forces/dfield.F90.o +[ 57%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/forsav.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/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 -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. 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CMakeFiles/mopac-core.dir/src/forces/frame.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/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 -[ 62%] Building Fortran object CMakeFiles/mopac-core.dir/src/geometry/gmetry.F90.o +[ 61%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/deritr.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/forces/deritr.F90 -o CMakeFiles/mopac-core.dir/src/forces/deritr.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" 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Fortran object CMakeFiles/mopac-core.dir/src/potentials/pmep.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/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 -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/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 -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/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 +[ 84%] Building Fortran object CMakeFiles/mopac-core.dir/src/properties/polar.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/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 +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong 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CMakeFiles/mopac-core.dir/src/properties/dipole.F90.o +[ 86%] Building Fortran object CMakeFiles/mopac-core.dir/src/properties/dipole.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/properties/dipole.F90 -o CMakeFiles/mopac-core.dir/src/properties/dipole.F90.o -[ 87%] Building Fortran object CMakeFiles/mopac-core.dir/src/properties/static_polarizability.F90.o +[ 86%] Building Fortran object CMakeFiles/mopac-core.dir/src/properties/static_polarizability.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/properties/static_polarizability.F90 -o CMakeFiles/mopac-core.dir/src/properties/static_polarizability.F90.o -[ 87%] Building Fortran object CMakeFiles/mopac-core.dir/src/properties/chrge.F90.o +[ 86%] Building Fortran object CMakeFiles/mopac-core.dir/src/properties/chrge.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/properties/chrge.F90 -o CMakeFiles/mopac-core.dir/src/properties/chrge.F90.o -[ 87%] Building Fortran object CMakeFiles/mopac-core.dir/src/reactions/pathk.F90.o +[ 86%] Building Fortran object CMakeFiles/mopac-core.dir/src/reactions/pathk.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c 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/build/reproducible-path/mopac-23.0.3/src/reactions/drc.F90 -o CMakeFiles/mopac-core.dir/src/reactions/drc.F90.o -[ 89%] Building Fortran object CMakeFiles/mopac-core.dir/src/reactions/drcout.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/reactions/drcout.F90 -o CMakeFiles/mopac-core.dir/src/reactions/drcout.F90.o -[ 89%] Building Fortran object CMakeFiles/mopac-core.dir/src/reactions/prtdrc.F90.o -[ 89%] Building Fortran object CMakeFiles/mopac-core.dir/src/reactions/picopt.F90.o +[ 88%] Building Fortran object CMakeFiles/mopac-core.dir/src/reactions/prtdrc.F90.o +[ 88%] Building Fortran object CMakeFiles/mopac-core.dir/src/reactions/picopt.F90.o +[ 88%] Building Fortran object CMakeFiles/mopac-core.dir/src/reactions/drc.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/reactions/prtdrc.F90 -o CMakeFiles/mopac-core.dir/src/reactions/prtdrc.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/reactions/drc.F90 -o CMakeFiles/mopac-core.dir/src/reactions/drc.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/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 +[ 88%] Building Fortran object CMakeFiles/mopac-core.dir/src/reactions/drcout.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/reactions/drcout.F90 -o CMakeFiles/mopac-core.dir/src/reactions/drcout.F90.o +[ 88%] Building Fortran object CMakeFiles/mopac-core.dir/src/reactions/big_swap.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/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 +[ 89%] Building Fortran object CMakeFiles/mopac-core.dir/src/solvation/cosmo.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/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 +[ 89%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/dtrans.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/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 +[ 89%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/symh.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/symmetry/symh.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/symh.F90.o +[ 89%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/mult33.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/symmetry/mult33.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/mult33.F90.o +[ 90%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/bldsym.F90.o [ 90%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/symt.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/symmetry/symt.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/symt.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/symmetry/symh.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/symh.F90.o -[ 91%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/bldsym.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/symmetry/bldsym.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/bldsym.F90.o -[ 91%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/mult33.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/symmetry/mult33.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/mult33.F90.o +[ 91%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/symtrz.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/symmetry/symtrz.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/symtrz.F90.o [ 91%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/molsym.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/symmetry/molsym.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/molsym.F90.o -[ 92%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/symtrz.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/symmetry/symtrz.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/symtrz.F90.o -[ 92%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/sympop.F90.o +[ 91%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/sympop.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/symmetry/sympop.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/sympop.F90.o -[ 92%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/dtran2.F90.o +[ 91%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/dtran2.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/symmetry/dtran2.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/dtran2.F90.o -[ 93%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/symoir.F90.o +[ 92%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/symoir.F90.o +[ 92%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/charvi.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/symmetry/charvi.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/charvi.F90.o +[ 92%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/symr.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/symmetry/symoir.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/symoir.F90.o -[ 93%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/symr.F90.o +[ 92%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/maksym.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/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 -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/symmetry/charvi.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/charvi.F90.o -[ 94%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/charmo.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/symmetry/charmo.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/charmo.F90.o -[ 94%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/maksym.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/symmetry/maksym.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/maksym.F90.o -[ 94%] Building Fortran object CMakeFiles/mopac-core.dir/src/utilities/vecprt.F90.o +[ 93%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/charmo.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/symmetry/charmo.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/charmo.F90.o +[ 93%] Building Fortran object CMakeFiles/mopac-core.dir/src/utilities/wrttxt.F90.o +[ 93%] Building Fortran object CMakeFiles/mopac-core.dir/src/utilities/vecprt.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/utilities/vecprt.F90 -o CMakeFiles/mopac-core.dir/src/utilities/vecprt.F90.o -[ 94%] Building Fortran object CMakeFiles/mopac-core.dir/src/utilities/wrttxt.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/utilities/wrttxt.F90 -o CMakeFiles/mopac-core.dir/src/utilities/wrttxt.F90.o +[ 94%] Building Fortran object CMakeFiles/mopac-core.dir/src/utilities/timer.F90.o /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/Common_arrays_C.F90.o.provides.build -/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/INDO/reimers_C.F90.o.provides.build +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/utilities/timer.F90 -o CMakeFiles/mopac-core.dir/src/utilities/timer.F90.o [ 94%] Building Fortran object CMakeFiles/mopac-core.dir/src/utilities/ijbo.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/utilities/ijbo.F90 -o CMakeFiles/mopac-core.dir/src/utilities/ijbo.F90.o -[ 95%] Building Fortran object CMakeFiles/mopac-core.dir/src/utilities/timer.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/utilities/timer.F90 -o CMakeFiles/mopac-core.dir/src/utilities/timer.F90.o -[ 95%] Building Fortran object CMakeFiles/mopac-core.dir/src/utilities/prtgra.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/utilities/prtgra.F90 -o 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=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/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 +[ 94%] Building Fortran object CMakeFiles/mopac-core.dir/src/utilities/prtgra.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/utilities/prtgra.F90 -o CMakeFiles/mopac-core.dir/src/utilities/prtgra.F90.o /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/PARAM/Param_global_C.F90.o.provides.build +[ 94%] Building Fortran object CMakeFiles/mopac-core.dir/src/utilities/seconds.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/utilities/seconds.F90 -o CMakeFiles/mopac-core.dir/src/utilities/seconds.F90.o /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/SCF/iter_C.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/chanel_C.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/chemistry/atomradii_C.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/conref_C.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/elemts_C.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/funcon_C.F90.o.provides.build -[ 95%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/orient_water.F90.o -[ 96%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/H_bonds4.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/chemistry/orient_water.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/orient_water.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/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 +[ 94%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/orient_water.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/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/interface/mopac_api.F90.o.provides.build +[ 95%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/H_bonds4.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/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/meci/meci_C.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/models/journal_references_C.F90.o.provides.build -[ 96%] Building Fortran object CMakeFiles/mopac-core.dir/src/interface/mopac_api_createdestroy.F90.o -[ 96%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/esp_utilities.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/matrix/esp_utilities.F90 -o CMakeFiles/mopac-core.dir/src/matrix/esp_utilities.F90.o -[ 96%] Building Fortran object CMakeFiles/mopac-core.dir/src/interface/mopac_api_operations.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/interface/mopac_api_createdestroy.F90 -o CMakeFiles/mopac-core.dir/src/interface/mopac_api_createdestroy.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/interface/mopac_api_operations.F90 -o CMakeFiles/mopac-core.dir/src/interface/mopac_api_operations.F90.o /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 +[ 95%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/esp_utilities.F90.o +[ 95%] Building Fortran object CMakeFiles/mopac-core.dir/src/interface/mopac_api_operations.F90.o +[ 95%] Building Fortran object CMakeFiles/mopac-core.dir/src/interface/mopac_api_createdestroy.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/matrix/esp_utilities.F90 -o CMakeFiles/mopac-core.dir/src/matrix/esp_utilities.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/interface/mopac_api_operations.F90 -o CMakeFiles/mopac-core.dir/src/interface/mopac_api_operations.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/interface/mopac_api_createdestroy.F90 -o CMakeFiles/mopac-core.dir/src/interface/mopac_api_createdestroy.F90.o /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 /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 /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 +[ 95%] 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=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/models/parameters_for_PM6_ORG_C.F90 -o CMakeFiles/mopac-core.dir/src/models/parameters_for_PM6_ORG_C.F90.o +[ 95%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/parameters_for_PM6_C.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/models/parameters_for_PM6_C.F90 -o CMakeFiles/mopac-core.dir/src/models/parameters_for_PM6_C.F90.o +[ 96%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/parameters_for_PM7_C.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/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_RM1_C.F90.o.provides.build +[ 96%] 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=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/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_RM1_Sparkles_C.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/models/parameters_for_mndo_C.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/models/parameters_for_mndod_C.F90.o.provides.build +[ 96%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/parameters_for_PM8_C.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/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/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 @@ -1541,34 +1570,29 @@ /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 /usr/bin/cmake -E cmake_copy_f90_mod get_det.mod CMakeFiles/mopac-core.dir/get_det.mod.stamp GNU -/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/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 -[ 96%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/switch.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/models/switch.F90 -o CMakeFiles/mopac-core.dir/src/models/switch.F90.o -/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 cmake_copy_f90_mod mopac_api@mopac_api_operations.smod CMakeFiles/mopac-core.dir/mopac_api@mopac_api_operations.smod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/properties/CPE_Energy.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/solvation/afmm_C.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/symmetry/charst.F90.o.provides.build -/usr/bin/cmake -E cmake_copy_f90_mod radii_c.mod CMakeFiles/mopac-core.dir/radii_c.mod.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/setup_mopac_arrays.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/setup_mopac_arrays.F90 -o CMakeFiles/mopac-core.dir/src/setup_mopac_arrays.F90.o +/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/interface/mopac_api_operations.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=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/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 -[ 96%] Building Fortran object CMakeFiles/mopac-core.dir/src/interface/mopac_api_initialize.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/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/corrections/H_bonds4.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=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/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=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/interface/mopac_api_initialize.F90 -o CMakeFiles/mopac-core.dir/src/interface/mopac_api_initialize.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 [ 97%] Building Fortran object CMakeFiles/mopac-core.dir/src/interface/mopac_api_saveload.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/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_createdestroy.smod CMakeFiles/mopac-core.dir/mopac_api@mopac_api_createdestroy.smod.stamp GNU +/usr/bin/cmake -E cmake_copy_f90_mod radii_c.mod CMakeFiles/mopac-core.dir/radii_c.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/interface/mopac_api_createdestroy.F90.o.provides.build -/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 touch CMakeFiles/mopac-core.dir/src/corrections/H_bonds4.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_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 @@ -1576,21 +1600,33 @@ /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 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 cosmo_mini.mod CMakeFiles/mopac-core.dir/cosmo_mini.mod.stamp GNU /usr/bin/cmake -E cmake_copy_f90_mod linear_cosmo.mod CMakeFiles/mopac-core.dir/linear_cosmo.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/solvation/linear_cosmo.F90.o.provides.build -[ 98%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/iter_for_MOZYME.F90.o -[ 98%] Building Fortran object CMakeFiles/mopac-core.dir/src/compfg.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=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/compfg.F90 -o CMakeFiles/mopac-core.dir/src/compfg.F90.o +[ 98%] Building Fortran object CMakeFiles/mopac-core.dir/src/compfg.F90.o +[ 98%] Building Fortran object CMakeFiles/mopac-core.dir/src/output/writmo.F90.o [ 98%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/fock2z.F90.o [ 98%] Building Fortran object CMakeFiles/mopac-core.dir/src/output/prtpka.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/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/iter_for_MOZYME.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/output/writmo.F90 -o CMakeFiles/mopac-core.dir/src/output/writmo.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/compfg.F90 -o CMakeFiles/mopac-core.dir/src/compfg.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/MOZYME/fock2z.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/fock2z.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/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=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/MOZYME/hcore_for_MOZYME.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/hcore_for_MOZYME.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/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=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/output/writmo.F90 -o CMakeFiles/mopac-core.dir/src/output/writmo.F90.o +/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_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_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 +/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 +[ 98%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/switch.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/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 @@ -1604,49 +1640,49 @@ make[3]: Entering directory '/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu' cd /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/mopac-23.0.3 /build/reproducible-path/mopac-23.0.3 /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/CMakeFiles/mopac.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu' +cd /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" 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Dependee "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/CMakeFiles/mopac.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/CMakeFiles/mopac.dir/depend.internal". Dependee "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/CMakeFiles/mopac.dir/depend.internal". +Dependee "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/CMakeFiles/mopac-api-test.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/CMakeFiles/mopac-api-test.dir/depend.internal". +Dependee "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/CMakeFiles/mopac-param.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/CMakeFiles/mopac-param.dir/depend.internal". Dependee "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/CMakeFiles/mopac-param.dir/depend.internal". +Dependee "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/CMakeFiles/mopac-api-test.dir/depend.internal". Scanning dependencies of target mopac Scanning dependencies of target mopac-param make[3]: Leaving directory '/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu' -Scanning dependencies of target mopac-api-test make -f CMakeFiles/mopac.dir/build.make CMakeFiles/mopac.dir/build +make[3]: Leaving directory '/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu' make -f CMakeFiles/mopac-param.dir/build.make CMakeFiles/mopac-param.dir/build make[3]: Entering directory '/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu' +Scanning dependencies of target mopac-api-test make[3]: Leaving directory '/build/reproducible-path/mopac-23.0.3/obj-x86_64-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-23.0.3/obj-x86_64-linux-gnu' [ 98%] Building Fortran object CMakeFiles/mopac-param.dir/src/param.F90.o -/usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/param.F90 -o CMakeFiles/mopac-param.dir/src/param.F90.o [ 98%] Building Fortran object 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-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/mopac.F90 -o CMakeFiles/mopac.dir/src/mopac.F90.o +/usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/param.F90 -o CMakeFiles/mopac-param.dir/src/param.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-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/include/mopac_wrapper.F90 -o CMakeFiles/mopac-api-test.dir/include/mopac_wrapper.F90.o -[ 98%] Linking Fortran executable mopac +[ 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_link_script CMakeFiles/mopac.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 +[ 99%] Building Fortran object 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-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/tests/mopac_api_test.F90 -o CMakeFiles/mopac-api-test.dir/tests/mopac_api_test.F90.o -[100%] 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-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/include/mopac_wrapper_internal.F90 -o CMakeFiles/mopac-api-test.dir/include/mopac_wrapper_internal.F90.o -/usr/bin/f95 -Wl,-z,relro -fopenmp -Wl,--dependency-file=CMakeFiles/mopac.dir/link.d -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection CMakeFiles/mopac.dir/src/mopac.F90.o -o mopac -Wl,-rpath,:::::::::::::: libmopac.a /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so -make[3]: Leaving directory '/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu' -[100%] Built target mopac +/usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/tests/mopac_api_test.F90 -o CMakeFiles/mopac-api-test.dir/tests/mopac_api_test.F90.o /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-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection "CMakeFiles/mopac-param.dir/src/param.F90.o" -o mopac-param -Wl,-rpath,:::::::::::::: libmopac.a /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so make[3]: Leaving directory '/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu' +/usr/bin/f95 -Wl,-z,relro -fopenmp -Wl,--dependency-file=CMakeFiles/mopac.dir/link.d -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection CMakeFiles/mopac.dir/src/mopac.F90.o -o mopac -Wl,-rpath,:::::::::::::: libmopac.a /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so +make[3]: Leaving directory '/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu' [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 /usr/bin/cmake -E touch CMakeFiles/mopac-api-test.dir/include/mopac_wrapper_internal.F90.o.provides.build @@ -1659,10 +1695,10 @@ /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/CMakeFiles 0 make[1]: Leaving directory '/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu' dh_auto_test - cd obj-x86_64-linux-gnu && make -j20 test ARGS\+=--verbose ARGS\+=-j20 + cd obj-x86_64-linux-gnu && make -j42 test ARGS\+=--verbose ARGS\+=-j42 make[1]: Entering directory '/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu' Running tests... -/usr/bin/ctest --force-new-ctest-process --verbose -j20 +/usr/bin/ctest --force-new-ctest-process --verbose -j42 UpdateCTestConfiguration from :/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/DartConfiguration.tcl UpdateCTestConfiguration from :/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/DartConfiguration.tcl Test project /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu @@ -1793,116 +1829,36 @@ 29: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "1.0" "erratic3.mop" 29: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests 29: Test timeout computed to be: 10000000 -8: Mon Feb 17 02:03:55 2025 Job: 'Check_that_TERs_are_preserved' started successfully -6: Mon Feb 17 02:03:55 2025 Job: 'convert_an_edited_PDB_file' started successfully -5: Mon Feb 17 02:03:55 2025 Job: 'Test_Hetero_group' started successfully -4: Mon Feb 17 02:03:55 2025 Job: 'Test_XENO' started successfully -28: Mon Feb 17 02:03:55 2025 Job: 'erratic2' started successfully -7: Mon Feb 17 02:03:55 2025 Job: 'convert_an_un-edited_PDB_file' started successfully -25: -25: -25: MOPAC Job: "SALT_2.mop" ended normally on Feb 17, 2025, at 02:03. -25: -9: Mon Feb 17 02:03:55 2025 Job: 'Compare_two_protein_structures' started successfully -8: -8: -8: MOPAC Job: "Check_that_TERs_are_preserved.mop" ended normally on Feb 17, 2025, at 02:03. -8: -14: Mon Feb 17 02:03:55 2025 Job: 'Au_Add-H' started successfully -29: -29: -29: MOPAC Job: "erratic3.mop" ended normally on Feb 17, 2025, at 02:03. -29: -2: Mon Feb 17 02:03:55 2025 Job: 'Crambin_1SCF' started successfully -4: -4: -4: MOPAC Job: "Test_XENO.mop" ended normally on Feb 17, 2025, at 02:03. -4: -1: Mon Feb 17 02:03:55 2025 Job: 'port' started successfully -10: Mon Feb 17 02:03:55 2025 Job: 'PDB1CBN.ent' started successfully -7: -7: -7: MOPAC Job: "convert_an_un-edited_PDB_file.mop" ended normally on Feb 17, 2025, at 02:03. -7: -6: -6: -6: MOPAC Job: "convert_an_edited_PDB_file.mop" ended normally on Feb 17, 2025, at 02:03. -6: -9: -9: -9: MOPAC Job: "Compare_two_protein_structures.mop" ended normally on Feb 17, 2025, at 02:03. -9: -5: -5: -5: MOPAC Job: "Test_Hetero_group.mop" ended normally on Feb 17, 2025, at 02:03. -5: - 1/124 Test #29: erratic-3 ........................ Passed 0.39 sec test 30 Start 30: mopac-api-test 30: Test command: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac-api-test 30: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests 30: Test timeout computed to be: 10000000 -23: Mon Feb 17 02:03:55 2025 Job: 'IONIZE' started successfully -30: Passed API test 1 -30: Passed API test 2 - 2/124 Test #25: salt2 ............................ Passed 0.48 sec test 31 Start 31: ag20 31: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "ag20.mop" 31: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/INDO-dev 31: Test timeout computed to be: 10000000 -30: Passed API test 3 -13: Mon Feb 17 02:03:55 2025 Job: 'ADD-H_Bacteriorhodopsin_1AT9' started successfully -30: Passed API test 4 - 3/124 Test #9: compare_proteins ................. Passed 0.51 sec test 32 Start 32: ag20_cis_active 32: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "ag20_cis_active.mop" 32: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/INDO-dev 32: Test timeout computed to be: 10000000 -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 -10: -10: -10: MOPAC Job: "PDB1CBN.ent" ended normally on Feb 17, 2025, at 02:03. -10: - 4/124 Test #8: ters_preserved ................... Passed 0.65 sec -12: Mon Feb 17 02:03:56 2025 Job: 'ADD-H_Bacteriorhodopsin_1AP9' started successfully test 33 Start 33: benzene 33: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "benzene.mop" 33: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/INDO-dev 33: Test timeout computed to be: 10000000 -6: WARNING: numerical mismatch between -7.12533968 on reference line 525 in /build/reproducible-path/mopac-23.0.3/tests and -6.98803573 on output line 525 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -6: WARNING: numerical mismatch between 28.25378616 on reference line 525 in /build/reproducible-path/mopac-23.0.3/tests and 27.27225907 on output line 525 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -6: WARNING: numerical mismatch between 28.08733588 on reference line 525 in /build/reproducible-path/mopac-23.0.3/tests and 29.36796565 on output line 525 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -6: WARNING: numerical mismatch between -8.41248313 on reference line 526 in /build/reproducible-path/mopac-23.0.3/tests and -7.9194903 on output line 526 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -6: WARNING: numerical mismatch between 27.87173887 on reference line 526 in /build/reproducible-path/mopac-23.0.3/tests and 28.4653229 on output line 526 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -6: WARNING: numerical mismatch between 29.04523373 on reference line 526 in /build/reproducible-path/mopac-23.0.3/tests and 28.45681742 on output line 526 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -6: WARNING: numerical mismatch between -7.125 on reference line 743 in /build/reproducible-path/mopac-23.0.3/tests and -6.988 on output line 743 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -6: WARNING: numerical mismatch between 28.254 on reference line 743 in /build/reproducible-path/mopac-23.0.3/tests and 27.272 on output line 743 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -6: WARNING: numerical mismatch between 28.087 on reference line 743 in /build/reproducible-path/mopac-23.0.3/tests and 29.368 on output line 743 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -6: WARNING: numerical mismatch between -8.412 on reference line 744 in /build/reproducible-path/mopac-23.0.3/tests and -7.919 on output line 744 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -6: WARNING: numerical mismatch between 27.872 on reference line 744 in /build/reproducible-path/mopac-23.0.3/tests and 28.465 on output line 744 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -6: WARNING: numerical mismatch between 29.045 on reference line 744 in /build/reproducible-path/mopac-23.0.3/tests and 28.457 on output line 744 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -11: Mon Feb 17 02:03:56 2025 Job: 'PDB1EJG.ent' started successfully - 5/124 Test #7: convert_unedited_pdb ............. Passed 0.70 sec test 34 Start 34: co_cas 34: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "co_cas.mop" 34: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/INDO-dev 34: Test timeout computed to be: 10000000 - 6/124 Test #4: xeno ............................. Passed 0.82 sec - 7/124 Test #5: hetero_group ..................... Passed 0.82 sec - 8/124 Test #6: convert_edited_pdb ............... Passed 0.82 sec test 35 Start 35: co_cis @@ -1921,1383 +1877,949 @@ 37: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "co_cis_PM7.mop" 37: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/INDO-dev 37: Test timeout computed to be: 10000000 -14: -14: -14: MOPAC Job: "Au_Add-H.mop" ended normally on Feb 17, 2025, at 02:03. -14: -11: -11: -11: MOPAC Job: "PDB1EJG.ent" ended normally on Feb 17, 2025, at 02:03. -11: -34: -34: -34: MOPAC Job: "co_cas.mop" ended normally on Feb 17, 2025, at 02:03. -34: - 9/124 Test #34: co_cas ........................... Passed 0.29 sec test 38 Start 38: co_cis_active 38: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "co_cis_active.mop" 38: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/INDO-dev 38: Test timeout computed to be: 10000000 - 10/124 Test #10: pdb1cbn .......................... Passed 1.13 sec test 39 Start 39: co_cis_solv 39: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "co_cis_solv.mop" 39: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/INDO-dev 39: Test timeout computed to be: 10000000 -35: -35: -35: MOPAC Job: "co_cis.mop" ended normally on Feb 17, 2025, at 02:03. -35: -37: -37: -37: MOPAC Job: "co_cis_PM7.mop" ended normally on Feb 17, 2025, at 02:03. -37: -37: WARNING: numerical heat mismatch between -16.98521 on reference line 70 in /build/reproducible-path/mopac-23.0.3/tests/INDO-dev and -16.98542 on output line 70 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -37: WARNING: numerical mismatch between -71.06612 on reference line 70 in /build/reproducible-path/mopac-23.0.3/tests/INDO-dev and -71.06698 on output line 70 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac - 11/124 Test #37: co_cis_PM7 ....................... Passed 0.33 sec test 40 Start 40: co_cis_tdip 40: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "co_cis_tdip.mop" 40: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/INDO-dev 40: Test timeout computed to be: 10000000 - 12/124 Test #35: co_cis ........................... Passed 0.37 sec test 41 Start 41: co_cis_trip 41: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "co_cis_trip.mop" 41: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/INDO-dev 41: Test timeout computed to be: 10000000 -36: -36: -36: MOPAC Job: "co_cis_2.mop" ended normally on Feb 17, 2025, at 02:03. -36: - 13/124 Test #36: co_cis_2 ......................... Passed 0.42 sec test 42 Start 42: co_cis_wrtconf 42: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "co_cis_wrtconf.mop" 42: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/INDO-dev 42: Test timeout computed to be: 10000000 -39: -39: -39: MOPAC Job: "co_cis_solv.mop" ended normally on Feb 17, 2025, at 02:03. -39: -38: -38: -38: MOPAC Job: "co_cis_active.mop" ended normally on Feb 17, 2025, at 02:03. -38: - 14/124 Test #39: co_cis_solv ...................... Passed 0.34 sec test 43 Start 43: co_cisd 43: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "co_cisd.mop" 43: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/INDO-dev 43: Test timeout computed to be: 10000000 -40: -40: -40: MOPAC Job: "co_cis_tdip.mop" ended normally on Feb 17, 2025, at 02:03. -40: - 15/124 Test #38: co_cis_active .................... Passed 0.37 sec test 44 Start 44: co_cisd_quin 44: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "co_cisd_quin.mop" 44: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/INDO-dev 44: Test timeout computed to be: 10000000 -41: -41: -41: MOPAC Job: "co_cis_trip.mop" ended normally on Feb 17, 2025, at 02:03. -41: -42: -42: -42: MOPAC Job: "co_cis_wrtconf.mop" ended normally on Feb 17, 2025, at 02:03. -42: -23: -23: -23: MOPAC Job: "IONIZE.mop" ended normally on Feb 17, 2025, at 02:03. -23: - 16/124 Test #40: co_cis_tdip ...................... Passed 0.34 sec test 45 Start 45: co_cisd_solv 45: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "co_cisd_solv.mop" 45: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/INDO-dev 45: Test timeout computed to be: 10000000 -13: -13: -13: MOPAC Job: "ADD-H_Bacteriorhodopsin_1AT9.mop" ended normally on Feb 17, 2025, at 02:03. -13: - 17/124 Test #41: co_cis_trip ...................... Passed 0.36 sec test 46 Start 46: co_cisd_trip 46: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "co_cisd_trip.mop" 46: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/INDO-dev 46: Test timeout computed to be: 10000000 - 18/124 Test #42: co_cis_wrtconf ................... Passed 0.34 sec test 47 Start 47: co_extern 47: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "co_extern.mop" "param.txt" 47: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/INDO-dev 47: Test timeout computed to be: 10000000 -22: -22: -22: MOPAC Job: "Locate_TS.mop" ended normally on Feb 17, 2025, at 02:03. -22: - 19/124 Test #23: ionize ........................... Passed 1.66 sec -test 24 - Start 24: salt - -24: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "SALT.mop" -24: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests -24: Test timeout computed to be: 10000000 - 20/124 Test #11: pdb1ejg .......................... Passed 1.69 sec -test 15 - Start 15: compare_add-h - -15: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "Compare_ADD-H_1EJG_and_1CBN.mop" -15: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests -15: Test timeout computed to be: 10000000 -33: -33: -33: MOPAC Job: "benzene.mop" ended normally on Feb 17, 2025, at 02:03. -33: -14: WARNING: numerical mismatch between -25.64788041 on reference line 2039 in /build/reproducible-path/mopac-23.0.3/tests and -25.90290178 on output line 2039 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 4.10092057 on reference line 2039 in /build/reproducible-path/mopac-23.0.3/tests and 4.98654585 on output line 2039 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -1.91380926 on reference line 2039 in /build/reproducible-path/mopac-23.0.3/tests and -3.20727348 on output line 2039 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -25.09257502 on reference line 2040 in /build/reproducible-path/mopac-23.0.3/tests and -25.4087177 on output line 2040 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 5.65231367 on reference line 2040 in /build/reproducible-path/mopac-23.0.3/tests and 4.93343674 on output line 2040 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -1.98509769 on reference line 2040 in /build/reproducible-path/mopac-23.0.3/tests and -1.51193826 on output line 2040 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -21.23484618 on reference line 2181 in /build/reproducible-path/mopac-23.0.3/tests and -20.38719751 on output line 2181 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 2.47536281 on reference line 2181 in /build/reproducible-path/mopac-23.0.3/tests and 1.34688967 on output line 2181 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -2.85948844 on reference line 2181 in /build/reproducible-path/mopac-23.0.3/tests and -2.14176648 on output line 2181 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -21.65377643 on reference line 2182 in /build/reproducible-path/mopac-23.0.3/tests and -21.61238342 on output line 2182 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 1.96060373 on reference line 2182 in /build/reproducible-path/mopac-23.0.3/tests and 2.60991373 on output line 2182 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -1.34959202 on reference line 2182 in /build/reproducible-path/mopac-23.0.3/tests and -1.98400172 on output line 2182 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -26.16154718 on reference line 2229 in /build/reproducible-path/mopac-23.0.3/tests and -25.08960339 on output line 2229 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -3.45255965 on reference line 2229 in /build/reproducible-path/mopac-23.0.3/tests and -3.0319964 on output line 2229 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -4.61895174 on reference line 2229 in /build/reproducible-path/mopac-23.0.3/tests and -5.72910324 on output line 2229 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -25.24956665 on reference line 2230 in /build/reproducible-path/mopac-23.0.3/tests and -25.72051406 on output line 2230 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -4.58763738 on reference line 2230 in /build/reproducible-path/mopac-23.0.3/tests and -4.27751575 on output line 2230 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -5.39364956 on reference line 2230 in /build/reproducible-path/mopac-23.0.3/tests and -4.64659076 on output line 2230 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -25.05572927 on reference line 2275 in /build/reproducible-path/mopac-23.0.3/tests and -24.39513201 on output line 2275 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -4.41464752 on reference line 2275 in /build/reproducible-path/mopac-23.0.3/tests and -5.63914024 on output line 2275 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -20.19811683 on reference line 2275 in /build/reproducible-path/mopac-23.0.3/tests and -19.39727313 on output line 2275 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -24.31153851 on reference line 2276 in /build/reproducible-path/mopac-23.0.3/tests and -24.57380567 on output line 2276 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -4.18822066 on reference line 2276 in /build/reproducible-path/mopac-23.0.3/tests and -3.89366359 on output line 2276 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -18.7437518 on reference line 2276 in /build/reproducible-path/mopac-23.0.3/tests and -19.60363926 on output line 2276 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -13.331051 on reference line 2326 in /build/reproducible-path/mopac-23.0.3/tests and -12.377982 on output line 2326 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -6.29196958 on reference line 2326 in /build/reproducible-path/mopac-23.0.3/tests and -5.73598579 on output line 2326 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -1.19306446 on reference line 2326 in /build/reproducible-path/mopac-23.0.3/tests and -2.35890936 on output line 2326 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -13.93062705 on reference line 2327 in /build/reproducible-path/mopac-23.0.3/tests and -13.94066495 on output line 2327 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -5.89968481 on reference line 2327 in /build/reproducible-path/mopac-23.0.3/tests and -6.40711238 on output line 2327 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -2.67862425 on reference line 2327 in /build/reproducible-path/mopac-23.0.3/tests and -1.8805673 on output line 2327 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -9.66389204 on reference line 2343 in /build/reproducible-path/mopac-23.0.3/tests and -9.97920164 on output line 2343 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -0.02768212 on reference line 2343 in /build/reproducible-path/mopac-23.0.3/tests and -1.31268472 on output line 2343 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -8.76583614 on reference line 2343 in /build/reproducible-path/mopac-23.0.3/tests and -7.86780791 on output line 2343 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -8.48082798 on reference line 2344 in /build/reproducible-path/mopac-23.0.3/tests and -8.77019671 on output line 2344 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -0.75211034 on reference line 2344 in /build/reproducible-path/mopac-23.0.3/tests and -0.26571122 on output line 2344 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -7.87374319 on reference line 2344 in /build/reproducible-path/mopac-23.0.3/tests and -8.61837674 on output line 2344 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -19.37912209 on reference line 2751 in /build/reproducible-path/mopac-23.0.3/tests and -19.37958664 on output line 2751 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 3.47728207 on reference line 2751 in /build/reproducible-path/mopac-23.0.3/tests and 3.47704734 on output line 2751 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -19.08015931 on reference line 2752 in /build/reproducible-path/mopac-23.0.3/tests and -19.0372573 on output line 2752 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 4.49485343 on reference line 2752 in /build/reproducible-path/mopac-23.0.3/tests and 4.48530839 on output line 2752 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -0.49596535 on reference line 2752 in /build/reproducible-path/mopac-23.0.3/tests and -0.49870483 on output line 2752 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -0.54423923 on reference line 2754 in /build/reproducible-path/mopac-23.0.3/tests and -0.54493099 on output line 2754 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -1.62568807 on reference line 2754 in /build/reproducible-path/mopac-23.0.3/tests and -1.62535547 on output line 2754 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -18.78786999 on reference line 2755 in /build/reproducible-path/mopac-23.0.3/tests and -18.78736122 on output line 2755 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 0.29726479 on reference line 2755 in /build/reproducible-path/mopac-23.0.3/tests and 0.29823915 on output line 2755 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -0.49623479 on reference line 2755 in /build/reproducible-path/mopac-23.0.3/tests and -0.49709518 on output line 2755 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -23.81540101 on reference line 2757 in /build/reproducible-path/mopac-23.0.3/tests and -23.81586062 on output line 2757 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -1.25990727 on reference line 2757 in /build/reproducible-path/mopac-23.0.3/tests and -1.26113416 on output line 2757 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -7.13784997 on reference line 2757 in /build/reproducible-path/mopac-23.0.3/tests and -7.13973706 on output line 2757 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -25.26717581 on reference line 2758 in /build/reproducible-path/mopac-23.0.3/tests and -25.24114752 on output line 2758 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -0.83209905 on reference line 2758 in /build/reproducible-path/mopac-23.0.3/tests and -0.82622752 on output line 2758 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -6.19924329 on reference line 2758 in /build/reproducible-path/mopac-23.0.3/tests and -6.1841076 on output line 2758 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -26.58771229 on reference line 2760 in /build/reproducible-path/mopac-23.0.3/tests and -26.5869777 on output line 2760 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 4.16641494 on reference line 2760 in /build/reproducible-path/mopac-23.0.3/tests and 4.16626739 on output line 2760 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -5.3507815 on reference line 2760 in /build/reproducible-path/mopac-23.0.3/tests and -5.35016162 on output line 2760 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -26.88168025 on reference line 2761 in /build/reproducible-path/mopac-23.0.3/tests and -27.17146498 on output line 2761 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 5.25771035 on reference line 2761 in /build/reproducible-path/mopac-23.0.3/tests and 5.36654057 on output line 2761 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -3.9762945 on reference line 2761 in /build/reproducible-path/mopac-23.0.3/tests and -4.09317958 on output line 2761 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -20.31543028 on reference line 2763 in /build/reproducible-path/mopac-23.0.3/tests and -20.31508536 on output line 2763 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 8.2425775 on reference line 2763 in /build/reproducible-path/mopac-23.0.3/tests and 8.24284884 on output line 2763 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -2.51021032 on reference line 2763 in /build/reproducible-path/mopac-23.0.3/tests and -2.51099029 on output line 2763 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -19.82835999 on reference line 2764 in /build/reproducible-path/mopac-23.0.3/tests and -19.82422148 on output line 2764 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 8.73371572 on reference line 2764 in /build/reproducible-path/mopac-23.0.3/tests and 8.71896099 on output line 2764 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -1.07641659 on reference line 2764 in /build/reproducible-path/mopac-23.0.3/tests and -1.0753839 on output line 2764 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -26.63705715 on reference line 2766 in /build/reproducible-path/mopac-23.0.3/tests and -26.63758041 on output line 2766 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -8.64375387 on reference line 2766 in /build/reproducible-path/mopac-23.0.3/tests and -8.64517793 on output line 2766 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -13.87510091 on reference line 2766 in /build/reproducible-path/mopac-23.0.3/tests and -13.87534978 on output line 2766 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -27.26626303 on reference line 2767 in /build/reproducible-path/mopac-23.0.3/tests and -27.23019189 on output line 2767 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -8.33661422 on reference line 2767 in /build/reproducible-path/mopac-23.0.3/tests and -8.28839024 on output line 2767 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -12.33206622 on reference line 2767 in /build/reproducible-path/mopac-23.0.3/tests and -12.33564949 on output line 2767 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -18.74263691 on reference line 2769 in /build/reproducible-path/mopac-23.0.3/tests and -18.74352583 on output line 2769 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -10.34613944 on reference line 2769 in /build/reproducible-path/mopac-23.0.3/tests and -10.346813 on output line 2769 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -10.56273523 on reference line 2769 in /build/reproducible-path/mopac-23.0.3/tests and -10.56292657 on output line 2769 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -19.23266328 on reference line 2770 in /build/reproducible-path/mopac-23.0.3/tests and -19.23335143 on output line 2770 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -10.21527924 on reference line 2770 in /build/reproducible-path/mopac-23.0.3/tests and -10.21508147 on output line 2770 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -8.94743906 on reference line 2770 in /build/reproducible-path/mopac-23.0.3/tests and -8.9480993 on output line 2770 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -26.41273843 on reference line 2772 in /build/reproducible-path/mopac-23.0.3/tests and -26.41248837 on output line 2772 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -6.2632241 on reference line 2772 in /build/reproducible-path/mopac-23.0.3/tests and -6.26416148 on output line 2772 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -27.90653229 on reference line 2773 in /build/reproducible-path/mopac-23.0.3/tests and -27.92363514 on output line 2773 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -5.87816793 on reference line 2773 in /build/reproducible-path/mopac-23.0.3/tests and -5.91353847 on output line 2773 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -11.45832761 on reference line 2773 in /build/reproducible-path/mopac-23.0.3/tests and -11.42786521 on output line 2773 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -28.52601312 on reference line 2775 in /build/reproducible-path/mopac-23.0.3/tests and -28.52569076 on output line 2775 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -5.03278692 on reference line 2775 in /build/reproducible-path/mopac-23.0.3/tests and -5.03195924 on output line 2775 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -4.67691671 on reference line 2775 in /build/reproducible-path/mopac-23.0.3/tests and -4.67660822 on output line 2775 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -29.15981812 on reference line 2776 in /build/reproducible-path/mopac-23.0.3/tests and -29.14484039 on output line 2776 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -4.32055685 on reference line 2776 in /build/reproducible-path/mopac-23.0.3/tests and -4.32455686 on output line 2776 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -3.33824004 on reference line 2776 in /build/reproducible-path/mopac-23.0.3/tests and -3.32785299 on output line 2776 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -15.99007761 on reference line 2778 in /build/reproducible-path/mopac-23.0.3/tests and -15.98972429 on output line 2778 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -1.65736055 on reference line 2778 in /build/reproducible-path/mopac-23.0.3/tests and -1.65704454 on output line 2778 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -1.05058627 on reference line 2778 in /build/reproducible-path/mopac-23.0.3/tests and -1.05040335 on output line 2778 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -16.14286897 on reference line 2779 in /build/reproducible-path/mopac-23.0.3/tests and -16.140887 on output line 2779 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -1.35269212 on reference line 2779 in /build/reproducible-path/mopac-23.0.3/tests and -1.3517963 on output line 2779 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 0.50763251 on reference line 2779 in /build/reproducible-path/mopac-23.0.3/tests and 0.50685057 on output line 2779 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -12.57246167 on reference line 2781 in /build/reproducible-path/mopac-23.0.3/tests and -12.57284798 on output line 2781 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 9.78891044 on reference line 2781 in /build/reproducible-path/mopac-23.0.3/tests and 9.78959553 on output line 2781 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -4.17854342 on reference line 2781 in /build/reproducible-path/mopac-23.0.3/tests and -4.17820695 on output line 2781 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -13.78483724 on reference line 2782 in /build/reproducible-path/mopac-23.0.3/tests and -13.83630278 on output line 2782 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 10.56477783 on reference line 2782 in /build/reproducible-path/mopac-23.0.3/tests and 10.49994546 on output line 2782 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -4.81627347 on reference line 2782 in /build/reproducible-path/mopac-23.0.3/tests and -4.8015436 on output line 2782 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -24.43240254 on reference line 2784 in /build/reproducible-path/mopac-23.0.3/tests and -24.43162763 on output line 2784 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 0.81875854 on reference line 2784 in /build/reproducible-path/mopac-23.0.3/tests and 0.81956961 on output line 2784 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -4.25421139 on reference line 2784 in /build/reproducible-path/mopac-23.0.3/tests and -4.25506995 on output line 2784 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -25.87006357 on reference line 2785 in /build/reproducible-path/mopac-23.0.3/tests and -25.83936761 on output line 2785 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 0.97210473 on reference line 2785 in /build/reproducible-path/mopac-23.0.3/tests and 1.0229756 on output line 2785 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -4.76891789 on reference line 2785 in /build/reproducible-path/mopac-23.0.3/tests and -4.75139431 on output line 2785 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -12.96927028 on reference line 2787 in /build/reproducible-path/mopac-23.0.3/tests and -12.96899572 on output line 2787 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 10.35640189 on reference line 2787 in /build/reproducible-path/mopac-23.0.3/tests and 10.35610665 on output line 2787 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -1.92773971 on reference line 2787 in /build/reproducible-path/mopac-23.0.3/tests and -1.92703459 on output line 2787 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -13.70659778 on reference line 2788 in /build/reproducible-path/mopac-23.0.3/tests and -13.70648981 on output line 2788 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 11.37284728 on reference line 2788 in /build/reproducible-path/mopac-23.0.3/tests and 11.37374017 on output line 2788 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -0.65843067 on reference line 2788 in /build/reproducible-path/mopac-23.0.3/tests and -0.65907082 on output line 2788 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -15.89089111 on reference line 2790 in /build/reproducible-path/mopac-23.0.3/tests and -15.89063547 on output line 2790 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -5.39333476 on reference line 2790 in /build/reproducible-path/mopac-23.0.3/tests and -5.39391636 on output line 2790 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -1.64983371 on reference line 2790 in /build/reproducible-path/mopac-23.0.3/tests and -1.6492924 on output line 2790 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -17.20379371 on reference line 2791 in /build/reproducible-path/mopac-23.0.3/tests and -17.21612221 on output line 2791 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -5.92038582 on reference line 2791 in /build/reproducible-path/mopac-23.0.3/tests and -5.92621398 on output line 2791 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -1.35454957 on reference line 2791 in /build/reproducible-path/mopac-23.0.3/tests and -1.36608455 on output line 2791 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -16.12868031 on reference line 2793 in /build/reproducible-path/mopac-23.0.3/tests and -15.85657448 on output line 2793 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 9.2231296 on reference line 2793 in /build/reproducible-path/mopac-23.0.3/tests and 9.06774593 on output line 2793 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -0.42508468 on reference line 2793 in /build/reproducible-path/mopac-23.0.3/tests and -0.30896101 on output line 2793 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -15.61174596 on reference line 2794 in /build/reproducible-path/mopac-23.0.3/tests and -15.71201874 on output line 2794 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 9.11147189 on reference line 2794 in /build/reproducible-path/mopac-23.0.3/tests and 9.08260949 on output line 2794 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 1.1904536 on reference line 2794 in /build/reproducible-path/mopac-23.0.3/tests and 1.28056579 on output line 2794 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -26.63872155 on reference line 2796 in /build/reproducible-path/mopac-23.0.3/tests and -26.63771996 on output line 2796 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 4.94394297 on reference line 2796 in /build/reproducible-path/mopac-23.0.3/tests and 4.94405047 on output line 2796 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -10.64025125 on reference line 2796 in /build/reproducible-path/mopac-23.0.3/tests and -10.63855556 on output line 2796 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -27.29716872 on reference line 2797 in /build/reproducible-path/mopac-23.0.3/tests and -27.39641461 on output line 2797 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 5.42799545 on reference line 2797 in /build/reproducible-path/mopac-23.0.3/tests and 5.0443906 on output line 2797 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -9.35039857 on reference line 2797 in /build/reproducible-path/mopac-23.0.3/tests and -9.17720324 on output line 2797 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -25.80096784 on reference line 2799 in /build/reproducible-path/mopac-23.0.3/tests and -25.80129853 on output line 2799 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 1.90314922 on reference line 2799 in /build/reproducible-path/mopac-23.0.3/tests and 1.90388881 on output line 2799 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -5.69591735 on reference line 2799 in /build/reproducible-path/mopac-23.0.3/tests and -5.69409617 on output line 2799 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -27.03882099 on reference line 2800 in /build/reproducible-path/mopac-23.0.3/tests and -27.05268549 on output line 2800 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 2.73641484 on reference line 2800 in /build/reproducible-path/mopac-23.0.3/tests and 2.75579152 on output line 2800 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -5.49823632 on reference line 2800 in /build/reproducible-path/mopac-23.0.3/tests and -5.519357 on output line 2800 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -26.35517002 on reference line 2802 in /build/reproducible-path/mopac-23.0.3/tests and -26.36924173 on output line 2802 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -7.19781955 on reference line 2802 in /build/reproducible-path/mopac-23.0.3/tests and -7.20127875 on output line 2802 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -9.53765266 on reference line 2802 in /build/reproducible-path/mopac-23.0.3/tests and -9.54432161 on output line 2802 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -26.60857866 on reference line 2803 in /build/reproducible-path/mopac-23.0.3/tests and -26.53015671 on output line 2803 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -6.77491802 on reference line 2803 in /build/reproducible-path/mopac-23.0.3/tests and -6.79306657 on output line 2803 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -8.06194087 on reference line 2803 in /build/reproducible-path/mopac-23.0.3/tests and -8.05518195 on output line 2803 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -25.06467931 on reference line 2805 in /build/reproducible-path/mopac-23.0.3/tests and -25.06509356 on output line 2805 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 0.35139106 on reference line 2805 in /build/reproducible-path/mopac-23.0.3/tests and 0.34917689 on output line 2805 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -3.07707087 on reference line 2805 in /build/reproducible-path/mopac-23.0.3/tests and -3.0790991 on output line 2805 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -25.98678174 on reference line 2806 in /build/reproducible-path/mopac-23.0.3/tests and -26.0144229 on output line 2806 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 0.60192149 on reference line 2806 in /build/reproducible-path/mopac-23.0.3/tests and 0.61995651 on output line 2806 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -1.81489644 on reference line 2806 in /build/reproducible-path/mopac-23.0.3/tests and -1.84404272 on output line 2806 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -11.42603282 on reference line 2808 in /build/reproducible-path/mopac-23.0.3/tests and -11.42637517 on output line 2808 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -6.50245652 on reference line 2808 in /build/reproducible-path/mopac-23.0.3/tests and -6.5035041 on output line 2808 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -4.97642129 on reference line 2808 in /build/reproducible-path/mopac-23.0.3/tests and -4.9751341 on output line 2808 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -12.44511525 on reference line 2809 in /build/reproducible-path/mopac-23.0.3/tests and -12.44713535 on output line 2809 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -7.56269294 on reference line 2809 in /build/reproducible-path/mopac-23.0.3/tests and -7.56713161 on output line 2809 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -5.07697787 on reference line 2809 in /build/reproducible-path/mopac-23.0.3/tests and -5.08288059 on output line 2809 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -24.89399494 on reference line 2811 in /build/reproducible-path/mopac-23.0.3/tests and -24.89383873 on output line 2811 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 5.79107399 on reference line 2811 in /build/reproducible-path/mopac-23.0.3/tests and 5.79009039 on output line 2811 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -12.0921481 on reference line 2811 in /build/reproducible-path/mopac-23.0.3/tests and -12.09329317 on output line 2811 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -25.2990424 on reference line 2812 in /build/reproducible-path/mopac-23.0.3/tests and -25.33819089 on output line 2812 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 5.60265724 on reference line 2812 in /build/reproducible-path/mopac-23.0.3/tests and 5.60716047 on output line 2812 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -10.69720955 on reference line 2812 in /build/reproducible-path/mopac-23.0.3/tests and -10.70659749 on output line 2812 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -9.86620113 on reference line 2817 in /build/reproducible-path/mopac-23.0.3/tests and -9.86649419 on output line 2817 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -0.84358839 on reference line 2817 in /build/reproducible-path/mopac-23.0.3/tests and -0.84294687 on output line 2817 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -12.33377815 on reference line 2817 in /build/reproducible-path/mopac-23.0.3/tests and -12.33431704 on output line 2817 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -11.02643753 on reference line 2818 in /build/reproducible-path/mopac-23.0.3/tests and -11.02743399 on output line 2818 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -0.51625563 on reference line 2818 in /build/reproducible-path/mopac-23.0.3/tests and -0.51511405 on output line 2818 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -11.30194648 on reference line 2818 in /build/reproducible-path/mopac-23.0.3/tests and -11.30303646 on output line 2818 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -26.24973513 on reference line 2820 in /build/reproducible-path/mopac-23.0.3/tests and -26.25034932 on output line 2820 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 9.87894813 on reference line 2820 in /build/reproducible-path/mopac-23.0.3/tests and 9.88034354 on output line 2820 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -7.83580958 on reference line 2820 in /build/reproducible-path/mopac-23.0.3/tests and -7.83610679 on output line 2820 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -27.41503889 on reference line 2821 in /build/reproducible-path/mopac-23.0.3/tests and -27.4539626 on output line 2821 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 10.11533718 on reference line 2821 in /build/reproducible-path/mopac-23.0.3/tests and 10.14891782 on output line 2821 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -6.84920741 on reference line 2821 in /build/reproducible-path/mopac-23.0.3/tests and -6.89273781 on output line 2821 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -8.77107219 on reference line 2823 in /build/reproducible-path/mopac-23.0.3/tests and -8.77375084 on output line 2823 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -1.24113291 on reference line 2823 in /build/reproducible-path/mopac-23.0.3/tests and -1.23966625 on output line 2823 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -13.09687958 on reference line 2823 in /build/reproducible-path/mopac-23.0.3/tests and -13.09611937 on output line 2823 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -8.81115641 on reference line 2824 in /build/reproducible-path/mopac-23.0.3/tests and -8.80915902 on output line 2824 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 0.23374834 on reference line 2824 in /build/reproducible-path/mopac-23.0.3/tests and 0.23156178 on output line 2824 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -12.37299479 on reference line 2824 in /build/reproducible-path/mopac-23.0.3/tests and -12.3663575 on output line 2824 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -9.07006428 on reference line 2826 in /build/reproducible-path/mopac-23.0.3/tests and -9.07109057 on output line 2826 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 1.35238972 on reference line 2826 in /build/reproducible-path/mopac-23.0.3/tests and 1.35296182 on output line 2826 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -1.29522842 on reference line 2826 in /build/reproducible-path/mopac-23.0.3/tests and -1.29602834 on output line 2826 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -9.98838636 on reference line 2827 in /build/reproducible-path/mopac-23.0.3/tests and -9.98852672 on output line 2827 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 1.4737518 on reference line 2827 in /build/reproducible-path/mopac-23.0.3/tests and 1.47481546 on output line 2827 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -0.05694729 on reference line 2827 in /build/reproducible-path/mopac-23.0.3/tests and -0.05789473 on output line 2827 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -18.05155902 on reference line 2829 in /build/reproducible-path/mopac-23.0.3/tests and -18.05237255 on output line 2829 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -7.46573504 on reference line 2829 in /build/reproducible-path/mopac-23.0.3/tests and -7.4649597 on output line 2829 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -17.00621241 on reference line 2829 in /build/reproducible-path/mopac-23.0.3/tests and -17.00514651 on output line 2829 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -19.12246956 on reference line 2830 in /build/reproducible-path/mopac-23.0.3/tests and -19.11190335 on output line 2830 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -6.51299867 on reference line 2830 in /build/reproducible-path/mopac-23.0.3/tests and -6.51107168 on output line 2830 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -17.58030053 on reference line 2830 in /build/reproducible-path/mopac-23.0.3/tests and -17.55051805 on output line 2830 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -17.04428349 on reference line 2832 in /build/reproducible-path/mopac-23.0.3/tests and -17.04478647 on output line 2832 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 7.68484657 on reference line 2832 in /build/reproducible-path/mopac-23.0.3/tests and 7.68631371 on output line 2832 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -15.31540235 on reference line 2832 in /build/reproducible-path/mopac-23.0.3/tests and -15.31467703 on output line 2832 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -17.19386112 on reference line 2833 in /build/reproducible-path/mopac-23.0.3/tests and -17.18983826 on output line 2833 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 8.87816785 on reference line 2833 in /build/reproducible-path/mopac-23.0.3/tests and 8.88149311 on output line 2833 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -16.1612366 on reference line 2833 in /build/reproducible-path/mopac-23.0.3/tests and -16.16335424 on output line 2833 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -17.65893202 on reference line 2836 in /build/reproducible-path/mopac-23.0.3/tests and -17.63672804 on output line 2836 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -11.05063419 on reference line 2836 in /build/reproducible-path/mopac-23.0.3/tests and -11.10806463 on output line 2836 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -21.65257249 on reference line 2836 in /build/reproducible-path/mopac-23.0.3/tests and -21.63303127 on output line 2836 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -16.59134279 on reference line 2841 in /build/reproducible-path/mopac-23.0.3/tests and -16.41576282 on output line 2841 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 7.59932934 on reference line 2841 in /build/reproducible-path/mopac-23.0.3/tests and 7.51131586 on output line 2841 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -12.03797243 on reference line 2841 in /build/reproducible-path/mopac-23.0.3/tests and -11.75465435 on output line 2841 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -16.61733971 on reference line 2842 in /build/reproducible-path/mopac-23.0.3/tests and -16.46710645 on output line 2842 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 6.21751144 on reference line 2842 in /build/reproducible-path/mopac-23.0.3/tests and 5.9857306 on output line 2842 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -11.28343673 on reference line 2842 in /build/reproducible-path/mopac-23.0.3/tests and -11.43213905 on output line 2842 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -24.11203152 on reference line 2844 in /build/reproducible-path/mopac-23.0.3/tests and -24.1116519 on output line 2844 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 3.09756434 on reference line 2844 in /build/reproducible-path/mopac-23.0.3/tests and 3.09848229 on output line 2844 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -13.35503391 on reference line 2844 in /build/reproducible-path/mopac-23.0.3/tests and -13.35454503 on output line 2844 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -23.38182005 on reference line 2845 in /build/reproducible-path/mopac-23.0.3/tests and -23.38159643 on output line 2845 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 2.96175172 on reference line 2845 in /build/reproducible-path/mopac-23.0.3/tests and 2.96249257 on output line 2845 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -12.14091649 on reference line 2845 in /build/reproducible-path/mopac-23.0.3/tests and -12.14118773 on output line 2845 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -9.08343845 on reference line 2847 in /build/reproducible-path/mopac-23.0.3/tests and -8.98628011 on output line 2847 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -0.35974774 on reference line 2847 in /build/reproducible-path/mopac-23.0.3/tests and -0.37694342 on output line 2847 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -16.56959649 on reference line 2847 in /build/reproducible-path/mopac-23.0.3/tests and -16.49217402 on output line 2847 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -8.43196051 on reference line 2848 in /build/reproducible-path/mopac-23.0.3/tests and -9.09488606 on output line 2848 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 1.07397591 on reference line 2848 in /build/reproducible-path/mopac-23.0.3/tests and 1.06403549 on output line 2848 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -16.4553602 on reference line 2848 in /build/reproducible-path/mopac-23.0.3/tests and -17.1928977 on output line 2848 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -8.5469163 on reference line 2850 in /build/reproducible-path/mopac-23.0.3/tests and -8.54560377 on output line 2850 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 2.37271789 on reference line 2850 in /build/reproducible-path/mopac-23.0.3/tests and 2.37230166 on output line 2850 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -8.32067004 on reference line 2850 in /build/reproducible-path/mopac-23.0.3/tests and -8.32052798 on output line 2850 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -8.15868058 on reference line 2851 in /build/reproducible-path/mopac-23.0.3/tests and -8.16863774 on output line 2851 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 3.76995826 on reference line 2851 in /build/reproducible-path/mopac-23.0.3/tests and 3.77850659 on output line 2851 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -8.79460878 on reference line 2851 in /build/reproducible-path/mopac-23.0.3/tests and -8.81405455 on output line 2851 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -14.83911413 on reference line 2853 in /build/reproducible-path/mopac-23.0.3/tests and -14.89892027 on output line 2853 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 8.18200013 on reference line 2853 in /build/reproducible-path/mopac-23.0.3/tests and 8.41242497 on output line 2853 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 0.63312758 on reference line 2853 in /build/reproducible-path/mopac-23.0.3/tests and 0.95344586 on output line 2853 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -14.23499265 on reference line 2854 in /build/reproducible-path/mopac-23.0.3/tests and -13.97800205 on output line 2854 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 8.3170698 on reference line 2854 in /build/reproducible-path/mopac-23.0.3/tests and 7.77704175 on output line 2854 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 2.08761338 on reference line 2854 in /build/reproducible-path/mopac-23.0.3/tests and 2.15698904 on output line 2854 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -10.40964255 on reference line 2856 in /build/reproducible-path/mopac-23.0.3/tests and -10.4116109 on output line 2856 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 5.49343688 on reference line 2856 in /build/reproducible-path/mopac-23.0.3/tests and 5.49532471 on output line 2856 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -11.27304047 on reference line 2856 in /build/reproducible-path/mopac-23.0.3/tests and -11.27261984 on output line 2856 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -9.64962453 on reference line 2857 in /build/reproducible-path/mopac-23.0.3/tests and -9.6127948 on output line 2857 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 6.82767825 on reference line 2857 in /build/reproducible-path/mopac-23.0.3/tests and 6.80706307 on output line 2857 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -11.03734378 on reference line 2857 in /build/reproducible-path/mopac-23.0.3/tests and -11.03033722 on output line 2857 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -24.06133351 on reference line 2859 in /build/reproducible-path/mopac-23.0.3/tests and -24.06461636 on output line 2859 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 7.50710141 on reference line 2859 in /build/reproducible-path/mopac-23.0.3/tests and 7.50991984 on output line 2859 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -10.91516357 on reference line 2859 in /build/reproducible-path/mopac-23.0.3/tests and -10.90972453 on output line 2859 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -23.34347313 on reference line 2860 in /build/reproducible-path/mopac-23.0.3/tests and -23.33321584 on output line 2860 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 7.35585998 on reference line 2860 in /build/reproducible-path/mopac-23.0.3/tests and 7.35687354 on output line 2860 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -9.53337347 on reference line 2860 in /build/reproducible-path/mopac-23.0.3/tests and -9.5315698 on output line 2860 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -8.88261942 on reference line 2862 in /build/reproducible-path/mopac-23.0.3/tests and -8.88163046 on output line 2862 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 0.09443301 on reference line 2862 in /build/reproducible-path/mopac-23.0.3/tests and 0.09582129 on output line 2862 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -11.29865112 on reference line 2862 in /build/reproducible-path/mopac-23.0.3/tests and -11.29876843 on output line 2862 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -9.10304156 on reference line 2863 in /build/reproducible-path/mopac-23.0.3/tests and -9.12445921 on output line 2863 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 1.24455092 on reference line 2863 in /build/reproducible-path/mopac-23.0.3/tests and 1.20276671 on output line 2863 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -9.93178377 on reference line 2863 in /build/reproducible-path/mopac-23.0.3/tests and -9.86601174 on output line 2863 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -20.58583941 on reference line 2865 in /build/reproducible-path/mopac-23.0.3/tests and -20.58553126 on output line 2865 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -11.98241396 on reference line 2865 in /build/reproducible-path/mopac-23.0.3/tests and -11.98220964 on output line 2865 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -15.88860644 on reference line 2865 in /build/reproducible-path/mopac-23.0.3/tests and -15.8899698 on output line 2865 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -21.46094902 on reference line 2866 in /build/reproducible-path/mopac-23.0.3/tests and -21.46266654 on output line 2866 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -13.12913775 on reference line 2866 in /build/reproducible-path/mopac-23.0.3/tests and -13.13195604 on output line 2866 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -15.70632327 on reference line 2866 in /build/reproducible-path/mopac-23.0.3/tests and -15.71283133 on output line 2866 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -8.78956207 on reference line 2868 in /build/reproducible-path/mopac-23.0.3/tests and -8.7963714 on output line 2868 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 3.52644938 on reference line 2868 in /build/reproducible-path/mopac-23.0.3/tests and 3.52508114 on output line 2868 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -3.87361516 on reference line 2868 in /build/reproducible-path/mopac-23.0.3/tests and -3.87934147 on output line 2868 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -9.12619804 on reference line 2869 in /build/reproducible-path/mopac-23.0.3/tests and -9.07465151 on output line 2869 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 3.85805184 on reference line 2869 in /build/reproducible-path/mopac-23.0.3/tests and 3.89634619 on output line 2869 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -2.42831223 on reference line 2869 in /build/reproducible-path/mopac-23.0.3/tests and -2.43284288 on output line 2869 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -10.51972818 on reference line 2871 in /build/reproducible-path/mopac-23.0.3/tests and -10.48265329 on output line 2871 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -6.19068571 on reference line 2871 in /build/reproducible-path/mopac-23.0.3/tests and -6.16438893 on output line 2871 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -4.00555327 on reference line 2871 in /build/reproducible-path/mopac-23.0.3/tests and -4.05012086 on output line 2871 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -10.42843253 on reference line 2872 in /build/reproducible-path/mopac-23.0.3/tests and -10.61890998 on output line 2872 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -4.93264437 on reference line 2872 in /build/reproducible-path/mopac-23.0.3/tests and -5.07527177 on output line 2872 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -3.11705163 on reference line 2872 in /build/reproducible-path/mopac-23.0.3/tests and -2.97112997 on output line 2872 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -24.32067401 on reference line 2874 in /build/reproducible-path/mopac-23.0.3/tests and -24.32130238 on output line 2874 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -9.73971629 on reference line 2874 in /build/reproducible-path/mopac-23.0.3/tests and -9.7398214 on output line 2874 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -8.41051384 on reference line 2874 in /build/reproducible-path/mopac-23.0.3/tests and -8.40961116 on output line 2874 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -25.67442528 on reference line 2875 in /build/reproducible-path/mopac-23.0.3/tests and -25.67124163 on output line 2875 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -9.13702411 on reference line 2875 in /build/reproducible-path/mopac-23.0.3/tests and -9.12877374 on output line 2875 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -8.36645208 on reference line 2875 in /build/reproducible-path/mopac-23.0.3/tests and -8.37120544 on output line 2875 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 0.77992589 on reference line 2877 in /build/reproducible-path/mopac-23.0.3/tests and 0.77969786 on output line 2877 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -10.98094798 on reference line 2878 in /build/reproducible-path/mopac-23.0.3/tests and -11.31310639 on output line 2878 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 1.79273272 on reference line 2878 in /build/reproducible-path/mopac-23.0.3/tests and 1.6310441 on output line 2878 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -17.89287638 on reference line 2878 in /build/reproducible-path/mopac-23.0.3/tests and -18.01124109 on output line 2878 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -12.17433054 on reference line 2880 in /build/reproducible-path/mopac-23.0.3/tests and -12.1746675 on output line 2880 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 10.38895371 on reference line 2880 in /build/reproducible-path/mopac-23.0.3/tests and 10.38912579 on output line 2880 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -3.02920522 on reference line 2880 in /build/reproducible-path/mopac-23.0.3/tests and -3.02812973 on output line 2880 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -11.44721154 on reference line 2881 in /build/reproducible-path/mopac-23.0.3/tests and -11.44043532 on output line 2881 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 9.72486168 on reference line 2881 in /build/reproducible-path/mopac-23.0.3/tests and 9.72938651 on output line 2881 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -1.81140233 on reference line 2881 in /build/reproducible-path/mopac-23.0.3/tests and -1.81391413 on output line 2881 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -15.85750604 on reference line 2883 in /build/reproducible-path/mopac-23.0.3/tests and -15.85733021 on output line 2883 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -8.84453175 on reference line 2883 in /build/reproducible-path/mopac-23.0.3/tests and -8.84472726 on output line 2883 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -16.56017065 on reference line 2883 in /build/reproducible-path/mopac-23.0.3/tests and -16.55948865 on output line 2883 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -15.63288424 on reference line 2884 in /build/reproducible-path/mopac-23.0.3/tests and -15.62669418 on output line 2884 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -10.26283864 on reference line 2884 in /build/reproducible-path/mopac-23.0.3/tests and -10.25935756 on output line 2884 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -16.21828288 on reference line 2884 in /build/reproducible-path/mopac-23.0.3/tests and -16.21271511 on output line 2884 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -16.00001112 on reference line 2886 in /build/reproducible-path/mopac-23.0.3/tests and -15.62089712 on output line 2886 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 8.08308776 on reference line 2886 in /build/reproducible-path/mopac-23.0.3/tests and 8.26074147 on output line 2886 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -10.92109193 on reference line 2886 in /build/reproducible-path/mopac-23.0.3/tests and -10.94219452 on output line 2886 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -16.64319015 on reference line 2887 in /build/reproducible-path/mopac-23.0.3/tests and -16.58717244 on output line 2887 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 9.314366 on reference line 2887 in /build/reproducible-path/mopac-23.0.3/tests and 9.18700967 on output line 2887 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -10.20224459 on reference line 2887 in /build/reproducible-path/mopac-23.0.3/tests and -10.14429206 on output line 2887 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -8.83323498 on reference line 2889 in /build/reproducible-path/mopac-23.0.3/tests and -8.828355 on output line 2889 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 2.47000334 on reference line 2889 in /build/reproducible-path/mopac-23.0.3/tests and 2.48942368 on output line 2889 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -2.32560907 on reference line 2889 in /build/reproducible-path/mopac-23.0.3/tests and -2.31999712 on output line 2889 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -7.63880734 on reference line 2890 in /build/reproducible-path/mopac-23.0.3/tests and -7.66163005 on output line 2890 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 1.7079983 on reference line 2890 in /build/reproducible-path/mopac-23.0.3/tests and 1.69501364 on output line 2890 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -2.98760483 on reference line 2890 in /build/reproducible-path/mopac-23.0.3/tests and -2.98654503 on output line 2890 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -18.41149131 on reference line 2892 in /build/reproducible-path/mopac-23.0.3/tests and -18.41180881 on output line 2892 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -9.68402656 on reference line 2892 in /build/reproducible-path/mopac-23.0.3/tests and -9.68467236 on output line 2892 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -21.21870117 on reference line 2892 in /build/reproducible-path/mopac-23.0.3/tests and -21.21967783 on output line 2892 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -19.41629408 on reference line 2893 in /build/reproducible-path/mopac-23.0.3/tests and -19.40086533 on output line 2893 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -8.6549534 on reference line 2893 in /build/reproducible-path/mopac-23.0.3/tests and -8.65248411 on output line 2893 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -20.4878079 on reference line 2893 in /build/reproducible-path/mopac-23.0.3/tests and -20.48574669 on output line 2893 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -43: -43: -43: MOPAC Job: "co_cisd.mop" ended normally on Feb 17, 2025, at 02:03. -43: -44: Spin is incompatible with INDO -44: -44: -44: MOPAC Job: "co_cisd_quin.mop" ended normally on Feb 17, 2025, at 02:03. -44: - 21/124 Test #33: benzene .......................... Passed 1.11 sec -test 16 - Start 16: pdb_compare - -16: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "Compare_PDB_1EJG_and_1CBN.mop" -16: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests -16: Test timeout computed to be: 10000000 - 22/124 Test #14: add-h3 ........................... Passed 1.76 sec - 23/124 Test #43: co_cisd .......................... Passed 0.34 sec -test 26 - Start 26: residues - -26: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "SITE_Individual_residues.mop" -26: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests -26: Test timeout computed to be: 10000000 test 48 Start 48: co_fail 48: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "co_fail.mop" 48: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/INDO-dev 48: Test timeout computed to be: 10000000 - 24/124 Test #44: co_cisd_quin ..................... Passed 0.35 sec test 49 Start 49: co_field 49: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "co_field.mop" 49: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/INDO-dev 49: Test timeout computed to be: 10000000 -46: -46: -46: MOPAC Job: "co_cisd_trip.mop" ended normally on Feb 17, 2025, at 02:03. -46: -31: -31: -31: MOPAC Job: "ag20.mop" ended normally on Feb 17, 2025, at 02:03. -31: - 25/124 Test #22: locate_ts ........................ Passed 1.86 sec test 50 Start 50: co_mrci 50: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "co_mrci.mop" 50: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/INDO-dev 50: Test timeout computed to be: 10000000 -45: -45: -45: MOPAC Job: "co_cisd_solv.mop" ended normally on Feb 17, 2025, at 02:03. -45: - 26/124 Test #46: co_cisd_trip ..................... Passed 0.38 sec test 51 Start 51: co_mrci_maxci 51: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "co_mrci_maxci.mop" 51: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/INDO-dev 51: Test timeout computed to be: 10000000 - 27/124 Test #45: co_cisd_solv ..................... Passed 0.41 sec +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 +6: Mon Mar 23 10:29:48 2026 Job: 'convert_an_edited_PDB_file' started successfully +2: Mon Mar 23 10:29:48 2026 Job: 'Crambin_1SCF' started successfully +8: Mon Mar 23 10:29:48 2026 Job: 'Check_that_TERs_are_preserved' started successfully +9: Mon Mar 23 10:29:48 2026 Job: 'Compare_two_protein_structures' started successfully +4: Mon Mar 23 10:29:48 2026 Job: 'Test_XENO' started successfully +7: Mon Mar 23 10:29:48 2026 Job: 'convert_an_un-edited_PDB_file' started successfully +28: Mon Mar 23 10:29:48 2026 Job: 'erratic2' started successfully +6: +6: +6: MOPAC Job: "convert_an_edited_PDB_file.mop" ended normally on Mar 23, 2026, at 10:29. +6: +25: +25: +25: MOPAC Job: "SALT_2.mop" ended normally on Mar 23, 2026, at 10:29. +25: +10: Mon Mar 23 10:29:48 2026 Job: 'PDB1CBN.ent' started successfully +29: +29: +29: MOPAC Job: "erratic3.mop" ended normally on Mar 23, 2026, at 10:29. +29: +9: +9: +9: MOPAC Job: "Compare_two_protein_structures.mop" ended normally on Mar 23, 2026, at 10:29. +9: +8: +8: +8: MOPAC Job: "Check_that_TERs_are_preserved.mop" ended normally on Mar 23, 2026, at 10:29. +8: +7: +7: +7: MOPAC Job: "convert_an_un-edited_PDB_file.mop" ended normally on Mar 23, 2026, at 10:29. +7: +13: Mon Mar 23 10:29:48 2026 Job: 'ADD-H_Bacteriorhodopsin_1AT9' started successfully +35: +35: +35: MOPAC Job: "co_cis.mop" ended normally on Mar 23, 2026, at 10:29. +35: +14: Mon Mar 23 10:29:48 2026 Job: 'Au_Add-H' started successfully +34: +34: +34: MOPAC Job: "co_cas.mop" ended normally on Mar 23, 2026, at 10:29. +34: +37: +37: +37: MOPAC Job: "co_cis_PM7.mop" ended normally on Mar 23, 2026, at 10:29. +37: +12: Mon Mar 23 10:29:48 2026 Job: 'ADD-H_Bacteriorhodopsin_1AP9' started successfully +38: +38: +38: MOPAC Job: "co_cis_active.mop" ended normally on Mar 23, 2026, at 10:29. +38: +36: +36: +36: MOPAC Job: "co_cis_2.mop" ended normally on Mar 23, 2026, at 10:29. +36: +4: +4: +4: MOPAC Job: "Test_XENO.mop" ended normally on Mar 23, 2026, at 10:29. +4: +37: WARNING: numerical heat mismatch between -16.98521 on reference line 70 in /build/reproducible-path/mopac-23.0.3/tests/INDO-dev and -16.98542 on output line 70 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +37: WARNING: numerical mismatch between -71.06612 on reference line 70 in /build/reproducible-path/mopac-23.0.3/tests/INDO-dev and -71.06698 on output line 70 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +1: Mon Mar 23 10:29:48 2026 Job: 'port' started successfully +5: Mon Mar 23 10:29:48 2026 Job: 'Test_Hetero_group' started successfully +44: Spin is incompatible with INDO +44: +44: +44: MOPAC Job: "co_cisd_quin.mop" ended normally on Mar 23, 2026, at 10:29. +44: +39: +39: +39: MOPAC Job: "co_cis_solv.mop" ended normally on Mar 23, 2026, at 10:29. +39: +23: Mon Mar 23 10:29:48 2026 Job: 'IONIZE' started successfully + 1/124 Test #9: compare_proteins ................. Passed 0.21 sec test 52 Start 52: co_mrci_solv 52: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "co_mrci_solv.mop" 52: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/INDO-dev 52: Test timeout computed to be: 10000000 -15: Mon Feb 17 02:03:57 2025 Job: 'Compare_ADD-H_1EJG_and_1CBN' started successfully +11: Mon Mar 23 10:29:48 2026 Job: 'PDB1EJG.ent' started successfully +40: +40: +40: MOPAC Job: "co_cis_tdip.mop" ended normally on Mar 23, 2026, at 10:29. +40: +41: +41: +41: MOPAC Job: "co_cis_trip.mop" ended normally on Mar 23, 2026, at 10:29. +41: +42: +42: +42: MOPAC Job: "co_cis_wrtconf.mop" ended normally on Mar 23, 2026, at 10:29. +42: 47: 47: -47: MOPAC Job: "co_extern.mop" ended normally on Feb 17, 2025, at 02:03. +47: MOPAC Job: "co_extern.mop" ended normally on Mar 23, 2026, at 10:29. 47: 48: FORCE is incompatible with INDO 48: 48: -48: MOPAC Job: "co_fail.mop" ended normally on Feb 17, 2025, at 02:03. +48: MOPAC Job: "co_fail.mop" ended normally on Mar 23, 2026, at 10:29. 48: -49: -49: -49: MOPAC Job: "co_field.mop" ended normally on Feb 17, 2025, at 02:03. -49: -12: -12: -12: MOPAC Job: "ADD-H_Bacteriorhodopsin_1AP9.mop" ended normally on Feb 17, 2025, at 02:03. -12: - 28/124 Test #47: co_extern ........................ Passed 0.49 sec + 2/124 Test #25: salt2 ............................ Passed 0.23 sec test 53 Start 53: co_pm7 53: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "co_pm7.mop" 53: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/INDO-dev 53: Test timeout computed to be: 10000000 - 29/124 Test #31: ag20 ............................. Passed 1.58 sec +45: +45: +45: MOPAC Job: "co_cisd_solv.mop" ended normally on Mar 23, 2026, at 10:29. +45: + 3/124 Test #29: erratic-3 ........................ Passed 0.23 sec + 4/124 Test #37: co_cis_PM7 ....................... Passed 0.21 sec test 54 Start 54: co_pm7_solv 54: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "co_pm7_solv.mop" 54: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/INDO-dev 54: Test timeout computed to be: 10000000 - 30/124 Test #48: co_fail .......................... Passed 0.31 sec test 55 Start 55: co_print 55: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "co_print.mop" 55: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/INDO-dev 55: Test timeout computed to be: 10000000 -50: -50: -50: MOPAC Job: "co_mrci.mop" ended normally on Feb 17, 2025, at 02:03. -50: - 31/124 Test #49: co_field ......................... Passed 0.38 sec +43: +43: +43: MOPAC Job: "co_cisd.mop" ended normally on Mar 23, 2026, at 10:29. +43: +46: +46: +46: MOPAC Job: "co_cisd_trip.mop" ended normally on Mar 23, 2026, at 10:29. +46: + 5/124 Test #34: co_cas ........................... Passed 0.22 sec test 56 Start 56: no_cis_quar 56: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "no_cis_quar.mop" 56: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/INDO-dev 56: Test timeout computed to be: 10000000 -24: Mon Feb 17 02:03:57 2025 Job: 'SALT' started successfully -51: -51: -51: MOPAC Job: "co_mrci_maxci.mop" ended normally on Feb 17, 2025, at 02:03. -51: - 32/124 Test #50: co_mrci .......................... Passed 0.37 sec + 6/124 Test #38: co_cis_active .................... Passed 0.22 sec test 57 Start 57: no_mrci 57: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "no_mrci.mop" 57: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/INDO-dev 57: Test timeout computed to be: 10000000 -15: -15: -15: MOPAC Job: "Compare_ADD-H_1EJG_and_1CBN.mop" ended normally on Feb 17, 2025, at 02:03. -15: -26: Mon Feb 17 02:03:57 2025 Job: 'SITE_Individual_residues' started successfully -52: -52: -52: MOPAC Job: "co_mrci_solv.mop" ended normally on Feb 17, 2025, at 02:03. -52: - 33/124 Test #51: co_mrci_maxci .................... Passed 0.41 sec + 7/124 Test #44: co_cisd_quin ..................... Passed 0.20 sec + 8/124 Test #36: co_cis_2 ......................... Passed 0.23 sec +49: +49: +49: MOPAC Job: "co_field.mop" ended normally on Mar 23, 2026, at 10:29. +49: + 9/124 Test #39: co_cis_solv ...................... Passed 0.22 sec test 58 Start 58: noparam 58: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "noparam.mop" 58: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/INDO-dev 58: Test timeout computed to be: 10000000 -53: -53: -53: MOPAC Job: "co_pm7.mop" ended normally on Feb 17, 2025, at 02:03. -53: -16: Mon Feb 17 02:03:57 2025 Job: 'Compare_PDB_1EJG_and_1CBN' started successfully -55: WARNING: Specified print options may not behave as expected with INDO - 34/124 Test #52: co_mrci_solv ..................... Passed 0.43 sec test 59 Start 59: poly_c8 59: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "poly_c8.mop" 59: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/INDO-dev 59: Test timeout computed to be: 10000000 -55: -55: -55: MOPAC Job: "co_print.mop" ended normally on Feb 17, 2025, at 02:03. -55: - 35/124 Test #15: compare_add-h .................... Passed 0.74 sec test 60 Start 60: poly_c8_mr 60: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "poly_c8_mr.mop" 60: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/INDO-dev 60: Test timeout computed to be: 10000000 -56: -56: -56: MOPAC Job: "no_cis_quar.mop" ended normally on Feb 17, 2025, at 02:03. -56: -53: WARNING: numerical heat mismatch between -16.98521 on reference line 68 in /build/reproducible-path/mopac-23.0.3/tests/INDO-dev and -16.98542 on output line 68 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -53: WARNING: numerical mismatch between -71.06612 on reference line 68 in /build/reproducible-path/mopac-23.0.3/tests/INDO-dev and -71.06698 on output line 68 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -54: -54: -54: MOPAC Job: "co_pm7_solv.mop" ended normally on Feb 17, 2025, at 02:03. -54: -58: -58: -58: MOPAC Job: "noparam.mop" ended normally on Feb 17, 2025, at 02:03. -58: - 36/124 Test #53: co_pm7 ........................... Passed 0.50 sec +10: +10: +10: MOPAC Job: "PDB1CBN.ent" ended normally on Mar 23, 2026, at 10:29. +10: + 10/124 Test #35: co_cis ........................... Passed 0.24 sec test 61 Start 61: key-ampersand 61: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "ampersand.mop" 61: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 61: Test timeout computed to be: 10000000 - 37/124 Test #56: no_cis_quar ...................... Passed 0.40 sec + 11/124 Test #40: co_cis_tdip ...................... Passed 0.23 sec + 12/124 Test #41: co_cis_trip ...................... Passed 0.23 sec test 62 Start 62: key-plus 62: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "plus.mop" 62: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 62: Test timeout computed to be: 10000000 - 38/124 Test #55: co_print ......................... Passed 0.52 sec test 63 Start 63: key-plusplus 63: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "plusplus.mop" 63: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 63: Test timeout computed to be: 10000000 -16: -16: -16: MOPAC Job: "Compare_PDB_1EJG_and_1CBN.mop" ended normally on Feb 17, 2025, at 02:03. -16: -54: WARNING: numerical heat mismatch between -19.6414 on reference line 69 in /build/reproducible-path/mopac-23.0.3/tests/INDO-dev and -19.64161 on output line 69 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -54: WARNING: numerical mismatch between -82.17963 on reference line 69 in /build/reproducible-path/mopac-23.0.3/tests/INDO-dev and -82.1805 on output line 69 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -57: -57: -57: MOPAC Job: "no_mrci.mop" ended normally on Feb 17, 2025, at 02:03. -57: - 39/124 Test #58: noparam .......................... Passed 0.42 sec + 13/124 Test #42: co_cis_wrtconf ................... Passed 0.23 sec +5: +5: +5: MOPAC Job: "Test_Hetero_group.mop" ended normally on Mar 23, 2026, at 10:29. +5: test 64 Start 64: key-0SCF 64: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "0SCF.mop" 64: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 64: Test timeout computed to be: 10000000 - 40/124 Test #54: co_pm7_solv ...................... Passed 0.70 sec + 14/124 Test #7: convert_unedited_pdb ............. Passed 0.28 sec + 15/124 Test #48: co_fail .......................... Passed 0.22 sec test 65 Start 65: key-1ELECTRON 65: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "1ELECTRON.mop" 65: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 65: Test timeout computed to be: 10000000 - 41/124 Test #13: add-h2 ........................... Passed 2.82 sec test 66 Start 66: key-1SCF 66: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "1SCF.mop" 66: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 66: Test timeout computed to be: 10000000 - 42/124 Test #16: pdb_compare ...................... Passed 1.06 sec + 16/124 Test #45: co_cisd_solv ..................... Passed 0.23 sec +50: +50: +50: MOPAC Job: "co_mrci.mop" ended normally on Mar 23, 2026, at 10:29. +50: + 17/124 Test #46: co_cisd_trip ..................... Passed 0.23 sec test 67 Start 67: key-A0 67: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "A0.mop" 67: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 67: Test timeout computed to be: 10000000 -3: Mon Feb 17 02:03:58 2025 Job: 'test_Lewis_for_Proteins' started successfully - 43/124 Test #57: no_mrci .......................... Passed 0.64 sec test 68 Start 68: key-AIGIN 68: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "AIGIN.mop" 68: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 68: Test timeout computed to be: 10000000 -63: -63: -63: MOPAC Job: "plusplus.mop" ended normally on Feb 17, 2025, at 02:03. -63: -62: -62: -62: MOPAC Job: "plus.mop" ended normally on Feb 17, 2025, at 02:03. -62: -63: WARNING: numerical heat mismatch between -77.16706 on reference line 70 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -77.16737 on output line 70 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -63: WARNING: numerical mismatch between -322.86699 on reference line 70 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -322.86826 on output line 70 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -63: WARNING: numerical heat mismatch between -77.16706 on reference line 210 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -77.16737 on output line 210 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -63: WARNING: numerical mismatch between -322.86699 on reference line 210 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -322.86826 on output line 210 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -63: WARNING: numerical heat mismatch between -77.16706 on reference line 350 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -77.16737 on output line 350 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -63: WARNING: numerical mismatch between -322.86699 on reference line 350 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -322.86826 on output line 350 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac - 44/124 Test #63: key-plusplus ..................... Passed 0.40 sec -62: WARNING: numerical heat mismatch between -77.16706 on reference line 70 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -77.16737 on output line 70 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -62: WARNING: numerical mismatch between -322.86699 on reference line 70 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -322.86826 on output line 70 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -62: WARNING: numerical heat mismatch between -77.16706 on reference line 211 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -77.16737 on output line 211 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -62: WARNING: numerical mismatch between -322.86699 on reference line 211 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -322.86826 on output line 211 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -62: WARNING: numerical heat mismatch between -77.16706 on reference line 353 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -77.16737 on output line 353 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -62: WARNING: numerical mismatch between -322.86699 on reference line 353 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -322.86826 on output line 353 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac + 18/124 Test #43: co_cisd .......................... Passed 0.24 sec + 19/124 Test #47: co_extern ........................ Passed 0.24 sec test 69 Start 69: key-AIGOUT 69: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "AIGOUT.mop" 69: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 69: Test timeout computed to be: 10000000 -24: -24: -24: MOPAC Job: "SALT.mop" ended normally on Feb 17, 2025, at 02:03. -24: -61: -61: -61: MOPAC Job: "ampersand.mop" ended normally on Feb 17, 2025, at 02:03. -61: - 45/124 Test #62: key-plus ......................... Passed 0.52 sec test 70 Start 70: key-ALLBONDS 70: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "ALLBONDS.mop" 70: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 70: Test timeout computed to be: 10000000 -61: WARNING: numerical heat mismatch between -77.16706 on reference line 70 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -77.16737 on output line 70 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -61: WARNING: numerical mismatch between -322.86699 on reference line 70 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -322.86826 on output line 70 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -61: WARNING: numerical heat mismatch between -77.16706 on reference line 211 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -77.16737 on output line 211 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -61: WARNING: numerical mismatch between -322.86699 on reference line 211 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -322.86826 on output line 211 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -61: WARNING: numerical heat mismatch between -77.16706 on reference line 352 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -77.16737 on output line 352 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -61: WARNING: numerical mismatch between -322.86699 on reference line 352 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -322.86826 on output line 352 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -65: -65: -65: MOPAC Job: "1ELECTRON.mop" ended normally on Feb 17, 2025, at 02:03. -65: - 46/124 Test #24: salt ............................. Passed 1.51 sec + 20/124 Test #49: co_field ......................... Passed 0.24 sec +6: WARNING: numerical mismatch between -7.12533968 on reference line 525 in /build/reproducible-path/mopac-23.0.3/tests and -6.98803573 on output line 525 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +6: WARNING: numerical mismatch between 28.25378616 on reference line 525 in /build/reproducible-path/mopac-23.0.3/tests and 27.27225907 on output line 525 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +6: WARNING: numerical mismatch between 28.08733588 on reference line 525 in /build/reproducible-path/mopac-23.0.3/tests and 29.36796565 on output line 525 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +6: WARNING: numerical mismatch between -8.41248313 on reference line 526 in /build/reproducible-path/mopac-23.0.3/tests and -7.9194903 on output line 526 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +6: WARNING: numerical mismatch between 27.87173887 on reference line 526 in /build/reproducible-path/mopac-23.0.3/tests and 28.4653229 on output line 526 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +6: WARNING: numerical mismatch between 29.04523373 on reference line 526 in /build/reproducible-path/mopac-23.0.3/tests and 28.45681742 on output line 526 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +6: WARNING: numerical mismatch between -7.125 on reference line 743 in /build/reproducible-path/mopac-23.0.3/tests and -6.988 on output line 743 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +6: WARNING: numerical mismatch between 28.254 on reference line 743 in /build/reproducible-path/mopac-23.0.3/tests and 27.272 on output line 743 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +6: WARNING: numerical mismatch between 28.087 on reference line 743 in /build/reproducible-path/mopac-23.0.3/tests and 29.368 on output line 743 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +6: WARNING: numerical mismatch between -8.412 on reference line 744 in /build/reproducible-path/mopac-23.0.3/tests and -7.919 on output line 744 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +6: WARNING: numerical mismatch between 27.872 on reference line 744 in /build/reproducible-path/mopac-23.0.3/tests and 28.465 on output line 744 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +6: WARNING: numerical mismatch between 29.045 on reference line 744 in /build/reproducible-path/mopac-23.0.3/tests and 28.457 on output line 744 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +11: +11: +11: MOPAC Job: "PDB1EJG.ent" ended normally on Mar 23, 2026, at 10:29. +11: test 71 Start 71: key-ALLVEC 71: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "ALLVEC.mop" 71: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 71: Test timeout computed to be: 10000000 -65: WARNING: numerical heat mismatch between -84.51541 on reference line 81 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -84.51572 on output line 81 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -65: WARNING: numerical mismatch between -353.61248 on reference line 81 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -353.61376 on output line 81 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -65: WARNING: numerical heat mismatch between -84.51541 on reference line 234 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -84.51572 on output line 234 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -65: WARNING: numerical mismatch between -353.61248 on reference line 234 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -353.61376 on output line 234 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac - 47/124 Test #61: key-ampersand .................... Passed 0.60 sec + 21/124 Test #50: co_mrci .......................... Passed 0.25 sec test 72 Start 72: key-AM1 72: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "AM1.mop" 72: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 72: Test timeout computed to be: 10000000 -67: -67: -67: MOPAC Job: "A0.mop" ended normally on Feb 17, 2025, at 02:03. -67: -67: WARNING: numerical heat mismatch between -84.51541 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -84.51571 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -67: WARNING: numerical mismatch between -353.61246 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -353.61374 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -66: -66: -66: MOPAC Job: "1SCF.mop" ended normally on Feb 17, 2025, at 02:03. -66: - 48/124 Test #65: key-1ELECTRON .................... Passed 0.47 sec +51: +51: +51: MOPAC Job: "co_mrci_maxci.mop" ended normally on Mar 23, 2026, at 10:29. +51: + 22/124 Test #6: convert_edited_pdb ............... Passed 0.33 sec + 23/124 Test #4: xeno ............................. Passed 0.33 sec test 73 Start 73: key-ANGSTROMS 73: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "ANGSTROMS.mop" 73: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 73: Test timeout computed to be: 10000000 -66: WARNING: numerical heat mismatch between -84.34612 on reference line 70 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -84.34643 on output line 70 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -66: WARNING: numerical mismatch between -352.90418 on reference line 70 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -352.90546 on output line 70 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -68: -68: -68: MOPAC Job: "AIGIN.mop" ended normally on Feb 17, 2025, at 02:03. -68: -64: -64: -64: MOPAC Job: "0SCF.mop" ended normally on Feb 17, 2025, at 02:03. -64: -26: -26: -26: MOPAC Job: "SITE_Individual_residues.mop" ended normally on Feb 17, 2025, at 02:03. -26: - 49/124 Test #12: add-h ............................ Passed 3.34 sec -test 17 - Start 17: pdb_compare2 - -17: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "Compare_PDB_Bacteriorhodopsin_1AP9_and_2AT9.mop" "Bacteriorhodopsin_2AT9.ent" -17: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests -17: Test timeout computed to be: 10000000 - 50/124 Test #66: key-1SCF ......................... Passed 0.53 sec -test 18 - Start 18: pdb_compare3 - -18: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "Compare_PDB_Bacteriorhodopsin_1AP9_and_1C3W.mop" "Bacteriorhodopsin_1C3W.ent" -18: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests -18: Test timeout computed to be: 10000000 -68: WARNING: numerical heat mismatch between -18.19788 on reference line 106 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -18.19844 on output line 106 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -68: WARNING: numerical mismatch between -76.13994 on reference line 106 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -76.14227 on output line 106 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -69: -69: -69: MOPAC Job: "AIGOUT.mop" ended normally on Feb 17, 2025, at 02:03. -69: - 51/124 Test #67: key-A0 ........................... Passed 0.52 sec -test 19 - Start 19: pdb_compare4 - -19: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRX.mop" "Bacteriorhodopsin_1BRX.ent" -19: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests -19: Test timeout computed to be: 10000000 - 52/124 Test #26: residues ......................... Passed 1.57 sec -test 20 - Start 20: pdb_compare5 - -20: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRR.mop" "Bacteriorhodopsin_1BRR.ent" -20: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests -20: Test timeout computed to be: 10000000 -69: WARNING: numerical heat mismatch between -18.19788 on reference line 86 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -18.19844 on output line 86 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -69: WARNING: numerical mismatch between -76.13994 on reference line 86 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -76.14227 on output line 86 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -64: WARNING: numerical heat mismatch between -77.16706 on reference line 69 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -77.16737 on output line 69 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -64: WARNING: numerical mismatch between -322.86699 on reference line 69 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -322.86826 on output line 69 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -64: WARNING: numerical heat mismatch between -77.16706 on reference line 264 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -77.16737 on output line 264 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -64: WARNING: numerical mismatch between -322.86699 on reference line 264 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -322.86826 on output line 264 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac - 53/124 Test #69: key-AIGOUT ....................... Passed 0.37 sec -test 21 - Start 21: pdb_compare6 - -21: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "Compare_PDB_Bacteriorhodopsin_1AP9_and_1AT9.mop" -21: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests -21: Test timeout computed to be: 10000000 - 54/124 Test #68: key-AIGIN ........................ Passed 0.54 sec test 74 Start 74: key-AUTOSYM 74: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "AUTOSYM.mop" 74: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 74: Test timeout computed to be: 10000000 - 55/124 Test #64: key-0SCF ......................... Passed 0.68 sec + 24/124 Test #8: ters_preserved ................... Passed 0.35 sec test 75 Start 75: key-BIRADICAL 75: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "BIRADICAL.mop" 75: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 75: Test timeout computed to be: 10000000 -70: -70: -70: MOPAC Job: "ALLBONDS.mop" ended normally on Feb 17, 2025, at 02:03. -70: -72: -72: -72: MOPAC Job: "AM1.mop" ended normally on Feb 17, 2025, at 02:03. -72: -72: WARNING: numerical heat mismatch between -79.8614 on reference line 81 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -79.86171 on output line 81 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -72: WARNING: numerical mismatch between -334.1401 on reference line 81 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -334.14139 on output line 81 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -70: WARNING: numerical heat mismatch between -18.19689 on reference line 86 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -18.19745 on output line 86 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -70: WARNING: numerical mismatch between -76.13581 on reference line 86 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -76.13814 on output line 86 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -70: WARNING: numerical heat mismatch between -18.19689 on reference line 252 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -18.19745 on output line 252 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -70: WARNING: numerical mismatch between -76.13581 on reference line 252 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -76.13814 on output line 252 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -70: WARNING: numerical heat mismatch between -18.19689 on reference line 426 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -18.19745 on output line 426 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -70: WARNING: numerical mismatch between -76.13581 on reference line 426 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -76.13814 on output line 426 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -71: -71: -71: MOPAC Job: "ALLVEC.mop" ended normally on Feb 17, 2025, at 02:03. -71: -73: -73: -73: MOPAC Job: "ANGSTROMS.mop" ended normally on Feb 17, 2025, at 02:03. -73: -73: WARNING: numerical heat mismatch between -84.51541 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -84.51572 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -73: WARNING: numerical mismatch between -353.61248 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -353.61376 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac - 56/124 Test #72: key-AM1 .......................... Passed 0.41 sec + 25/124 Test #51: co_mrci_maxci .................... Passed 0.29 sec test 76 Start 76: key-CdotAdotSdot 76: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "CdotAdotSdot.mop" 76: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 76: Test timeout computed to be: 10000000 -71: WARNING: numerical heat mismatch between -18.19788 on reference line 85 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -18.19844 on output line 85 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -71: WARNING: numerical mismatch between -76.13994 on reference line 85 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -76.14227 on output line 85 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -71: WARNING: numerical heat mismatch between -18.19788 on reference line 262 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -18.19844 on output line 262 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -71: WARNING: numerical mismatch between -76.13994 on reference line 262 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -76.14227 on output line 262 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac - 57/124 Test #70: key-ALLBONDS ..................... Passed 0.53 sec +14: +14: +14: MOPAC Job: "Au_Add-H.mop" ended normally on Mar 23, 2026, at 10:29. +14: +53: +53: +53: MOPAC Job: "co_pm7.mop" ended normally on Mar 23, 2026, at 10:29. +53: +54: +54: +54: MOPAC Job: "co_pm7_solv.mop" ended normally on Mar 23, 2026, at 10:29. +54: +55: WARNING: Specified print options may not behave as expected with INDO +53: WARNING: numerical heat mismatch between -16.98521 on reference line 68 in /build/reproducible-path/mopac-23.0.3/tests/INDO-dev and -16.98542 on output line 68 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +53: WARNING: numerical mismatch between -71.06612 on reference line 68 in /build/reproducible-path/mopac-23.0.3/tests/INDO-dev and -71.06698 on output line 68 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +54: WARNING: numerical heat mismatch between -19.6414 on reference line 69 in /build/reproducible-path/mopac-23.0.3/tests/INDO-dev and -19.64161 on output line 69 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +54: WARNING: numerical mismatch between -82.17963 on reference line 69 in /build/reproducible-path/mopac-23.0.3/tests/INDO-dev and -82.1805 on output line 69 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +55: +55: +55: MOPAC Job: "co_print.mop" ended normally on Mar 23, 2026, at 10:29. +55: + 26/124 Test #5: hetero_group ..................... Passed 0.43 sec test 77 Start 77: key-CdotIdot 77: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "CdotIdot.mop" 77: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 77: Test timeout computed to be: 10000000 - 58/124 Test #71: key-ALLVEC ....................... Passed 0.51 sec +58: +58: +58: MOPAC Job: "noparam.mop" ended normally on Mar 23, 2026, at 10:29. +58: +56: +56: +56: MOPAC Job: "no_cis_quar.mop" ended normally on Mar 23, 2026, at 10:29. +56: + 27/124 Test #54: co_pm7_solv ...................... Passed 0.21 sec test 78 Start 78: key-CdotIdotDdot 78: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "CdotIdotDdot.mop" 78: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 78: Test timeout computed to be: 10000000 -20: Mon Feb 17 02:03:59 2025 Job: 'Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRR' started successfully - 59/124 Test #73: key-ANGSTROMS .................... Passed 0.43 sec + 28/124 Test #53: co_pm7 ........................... Passed 0.21 sec test 79 Start 79: key-CHARGE 79: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "CHARGE.mop" 79: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 79: Test timeout computed to be: 10000000 -17: Mon Feb 17 02:03:59 2025 Job: 'Compare_PDB_Bacteriorhodopsin_1AP9_and_2AT9' started successfully -19: Mon Feb 17 02:03:59 2025 Job: 'Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRX' started successfully -21: Mon Feb 17 02:03:59 2025 Job: 'Compare_PDB_Bacteriorhodopsin_1AP9_and_1AT9' started successfully -18: Mon Feb 17 02:03:59 2025 Job: 'Compare_PDB_Bacteriorhodopsin_1AP9_and_1C3W' started successfully -77: -77: -77: MOPAC Job: "CdotIdot.mop" ended normally on Feb 17, 2025, at 02:03. -77: -77: WARNING: numerical heat mismatch between 14.6638 on reference line 76 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 14.66335 on output line 76 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -77: WARNING: numerical mismatch between 61.35332 on reference line 76 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 61.35146 on output line 76 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -77: WARNING: numerical heat mismatch between 8.74306 on reference line 235 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 8.74262 on output line 235 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -77: WARNING: numerical mismatch between 36.58098 on reference line 235 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 36.57911 on output line 235 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -77: WARNING: numerical heat mismatch between 8.74306 on reference line 394 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 8.74262 on output line 394 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -77: WARNING: numerical mismatch between 36.58098 on reference line 394 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 36.57911 on output line 394 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -78: -78: -78: MOPAC Job: "CdotIdotDdot.mop" ended normally on Feb 17, 2025, at 02:03. -78: - 60/124 Test #77: key-CdotIdot ..................... Passed 0.36 sec +66: +66: +66: MOPAC Job: "1SCF.mop" ended normally on Mar 23, 2026, at 10:29. +66: +63: +63: +63: MOPAC Job: "plusplus.mop" ended normally on Mar 23, 2026, at 10:29. +63: +52: +52: +52: MOPAC Job: "co_mrci_solv.mop" ended normally on Mar 23, 2026, at 10:29. +52: +62: +62: +62: MOPAC Job: "plus.mop" ended normally on Mar 23, 2026, at 10:29. +62: + 29/124 Test #56: no_cis_quar ...................... Passed 0.22 sec +66: WARNING: numerical heat mismatch between -84.34612 on reference line 70 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -84.34643 on output line 70 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +66: WARNING: numerical mismatch between -352.90418 on reference line 70 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -352.90546 on output line 70 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac test 80 Start 80: key-CIS 80: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "CIS.mop" 80: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 80: Test timeout computed to be: 10000000 -74: -74: -74: MOPAC Job: "AUTOSYM.mop" ended normally on Feb 17, 2025, at 02:03. -74: - 61/124 Test #78: key-CdotIdotDdot ................. Passed 0.40 sec +61: +61: +61: MOPAC Job: "ampersand.mop" ended normally on Mar 23, 2026, at 10:29. +61: +65: +65: +65: MOPAC Job: "1ELECTRON.mop" ended normally on Mar 23, 2026, at 10:29. +65: +67: +67: +67: MOPAC Job: "A0.mop" ended normally on Mar 23, 2026, at 10:29. +67: +63: WARNING: numerical heat mismatch between -77.16706 on reference line 70 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -77.16737 on output line 70 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +63: WARNING: numerical mismatch between -322.86699 on reference line 70 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -322.86826 on output line 70 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +63: WARNING: numerical heat mismatch between -77.16706 on reference line 210 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -77.16737 on output line 210 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +63: WARNING: numerical mismatch between -322.86699 on reference line 210 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -322.86826 on output line 210 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +63: WARNING: numerical heat mismatch between -77.16706 on reference line 350 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -77.16737 on output line 350 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +63: WARNING: numerical mismatch between -322.86699 on reference line 350 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -322.86826 on output line 350 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +67: WARNING: numerical heat mismatch between -84.51541 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -84.51571 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +67: WARNING: numerical mismatch between -353.61246 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -353.61374 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +64: +64: +64: MOPAC Job: "0SCF.mop" ended normally on Mar 23, 2026, at 10:29. +64: +71: +71: +71: MOPAC Job: "ALLVEC.mop" ended normally on Mar 23, 2026, at 10:29. +71: +65: WARNING: numerical heat mismatch between -84.51541 on reference line 81 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -84.51572 on output line 81 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +65: WARNING: numerical mismatch between -353.61248 on reference line 81 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -353.61376 on output line 81 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +65: WARNING: numerical heat mismatch between -84.51541 on reference line 234 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -84.51572 on output line 234 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +65: WARNING: numerical mismatch between -353.61248 on reference line 234 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -353.61376 on output line 234 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +61: WARNING: numerical heat mismatch between -77.16706 on reference line 70 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -77.16737 on output line 70 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +61: WARNING: numerical mismatch between -322.86699 on reference line 70 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -322.86826 on output line 70 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +61: WARNING: numerical heat mismatch between -77.16706 on reference line 211 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -77.16737 on output line 211 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +61: WARNING: numerical mismatch between -322.86699 on reference line 211 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -322.86826 on output line 211 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +61: WARNING: numerical heat mismatch between -77.16706 on reference line 352 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -77.16737 on output line 352 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +61: WARNING: numerical mismatch between -322.86699 on reference line 352 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -322.86826 on output line 352 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +57: +57: +57: MOPAC Job: "no_mrci.mop" ended normally on Mar 23, 2026, at 10:29. +57: +70: +70: +70: MOPAC Job: "ALLBONDS.mop" ended normally on Mar 23, 2026, at 10:29. +70: +70: WARNING: numerical heat mismatch between -18.19689 on reference line 86 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -18.19745 on output line 86 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +70: WARNING: numerical mismatch between -76.13581 on reference line 86 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -76.13814 on output line 86 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +70: WARNING: numerical heat mismatch between -18.19689 on reference line 252 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -18.19745 on output line 252 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +70: WARNING: numerical mismatch between -76.13581 on reference line 252 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -76.13814 on output line 252 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +70: WARNING: numerical heat mismatch between -18.19689 on reference line 426 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -18.19745 on output line 426 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +70: WARNING: numerical mismatch between -76.13581 on reference line 426 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -76.13814 on output line 426 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac + 30/124 Test #57: no_mrci .......................... Passed 0.37 sec test 81 Start 81: key-CISD 81: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "CISD.mop" 81: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 81: Test timeout computed to be: 10000000 -74: WARNING: numerical heat mismatch between 22.9565 on reference line 102 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 22.95541 on output line 102 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -74: WARNING: numerical mismatch between 96.05001 on reference line 102 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 96.04545 on output line 102 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac - 62/124 Test #74: key-AUTOSYM ...................... Passed 0.74 sec +68: +68: +68: MOPAC Job: "AIGIN.mop" ended normally on Mar 23, 2026, at 10:29. +68: + 31/124 Test #58: noparam .......................... Passed 1.27 sec test 82 Start 82: key-CISDT 82: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "CISDT.mop" 82: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 82: Test timeout computed to be: 10000000 -79: -79: -79: MOPAC Job: "CHARGE.mop" ended normally on Feb 17, 2025, at 02:03. -79: -79: WARNING: numerical mismatch between 869.38904 on reference line 78 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 869.38917 on output line 78 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -79: WARNING: numerical heat mismatch between 360.4549 on reference line 210 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 360.45506 on output line 210 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -79: WARNING: numerical mismatch between 1508.14332 on reference line 210 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1508.14397 on output line 210 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -79: WARNING: numerical mismatch between 981.81163 on reference line 359 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 981.81185 on output line 359 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac - 63/124 Test #79: key-CHARGE ....................... Passed 0.68 sec +64: WARNING: numerical heat mismatch between -77.16706 on reference line 69 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -77.16737 on output line 69 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +64: WARNING: numerical mismatch between -322.86699 on reference line 69 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -322.86826 on output line 69 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +64: WARNING: numerical heat mismatch between -77.16706 on reference line 264 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -77.16737 on output line 264 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +64: WARNING: numerical mismatch between -322.86699 on reference line 264 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -322.86826 on output line 264 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac + 32/124 Test #70: key-ALLBONDS ..................... Passed 1.23 sec test 83 Start 83: key-DISP 83: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "DISP.mop" 83: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 83: Test timeout computed to be: 10000000 -81: -81: -81: MOPAC Job: "CISD.mop" ended normally on Feb 17, 2025, at 02:03. -81: -80: -80: -80: MOPAC Job: "CIS.mop" ended normally on Feb 17, 2025, at 02:03. -80: -81: WARNING: numerical heat mismatch between 7.84782 on reference line 78 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 7.84737 on output line 78 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -81: WARNING: numerical mismatch between 32.83528 on reference line 78 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 32.8334 on output line 78 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -81: WARNING: numerical heat mismatch between 7.85711 on reference line 401 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 7.85666 on output line 401 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -81: WARNING: numerical mismatch between 32.87415 on reference line 401 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 32.87228 on output line 401 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac - 64/124 Test #81: key-CISD ......................... Passed 0.42 sec +33: +33: +33: MOPAC Job: "benzene.mop" ended normally on Mar 23, 2026, at 10:29. +33: +62: WARNING: numerical heat mismatch between -77.16706 on reference line 70 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -77.16737 on output line 70 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +62: WARNING: numerical mismatch between -322.86699 on reference line 70 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -322.86826 on output line 70 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +62: WARNING: numerical heat mismatch between -77.16706 on reference line 211 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -77.16737 on output line 211 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +62: WARNING: numerical mismatch between -322.86699 on reference line 211 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -322.86826 on output line 211 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +62: WARNING: numerical heat mismatch between -77.16706 on reference line 353 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -77.16737 on output line 353 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +62: WARNING: numerical mismatch between -322.86699 on reference line 353 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -322.86826 on output line 353 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +68: WARNING: numerical heat mismatch between -18.19788 on reference line 106 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -18.19844 on output line 106 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +68: WARNING: numerical mismatch between -76.13994 on reference line 106 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -76.14227 on output line 106 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac + 33/124 Test #55: co_print ......................... Passed 1.30 sec test 84 Start 84: key-DOUBLET 84: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "DOUBLET.mop" 84: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 84: Test timeout computed to be: 10000000 -80: WARNING: numerical heat mismatch between 8.74306 on reference line 78 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 8.74262 on output line 78 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -80: WARNING: numerical mismatch between 36.58098 on reference line 78 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 36.57911 on output line 78 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -80: WARNING: numerical heat mismatch between 14.6638 on reference line 273 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 14.66335 on output line 273 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -80: WARNING: numerical mismatch between 61.35332 on reference line 273 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 61.35146 on output line 273 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac - 65/124 Test #80: key-CIS .......................... Passed 0.61 sec +69: +69: +69: MOPAC Job: "AIGOUT.mop" ended normally on Mar 23, 2026, at 10:29. +69: +71: WARNING: numerical heat mismatch between -18.19788 on reference line 85 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -18.19844 on output line 85 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +71: WARNING: numerical mismatch between -76.13994 on reference line 85 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -76.14227 on output line 85 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +71: WARNING: numerical heat mismatch between -18.19788 on reference line 262 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -18.19844 on output line 262 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +71: WARNING: numerical mismatch between -76.13994 on reference line 262 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -76.14227 on output line 262 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac + 34/124 Test #63: key-plusplus ..................... Passed 1.28 sec test 85 Start 85: key-EXTERNAL 85: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "EXTERNAL.mop" "EXTERNAL.dat" 85: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 85: Test timeout computed to be: 10000000 -20: -20: -20: MOPAC Job: "Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRR.mop" ended normally on Feb 17, 2025, at 02:04. -20: -84: -84: -84: MOPAC Job: "DOUBLET.mop" ended normally on Feb 17, 2025, at 02:04. -84: -83: -83: -83: MOPAC Job: "DISP.mop" ended normally on Feb 17, 2025, at 02:04. -83: -84: WARNING: numerical mismatch between 463.20296 on reference line 73 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 463.20323 on output line 73 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -84: WARNING: numerical mismatch between 463.20296 on reference line 222 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 463.20323 on output line 222 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -84: WARNING: numerical mismatch between 580.44941 on reference line 371 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 580.44979 on output line 371 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -84: WARNING: numerical mismatch between 580.44941 on reference line 503 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 580.44979 on output line 503 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -84: WARNING: numerical mismatch between 580.44941 on reference line 638 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 580.44979 on output line 638 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -84: WARNING: numerical mismatch between 580.44941 on reference line 801 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 580.44979 on output line 801 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -83: WARNING: numerical heat mismatch between -192.3822 on reference line 86 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -192.38299 on output line 86 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -83: WARNING: numerical mismatch between -804.92711 on reference line 86 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -804.93045 on output line 86 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -83: WARNING: numerical mismatch between -33809.56058 on reference line 88 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -33809.58819 on output line 88 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -83: WARNING: numerical mismatch between 33624.30811 on reference line 89 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 33624.33492 on output line 89 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -83: WARNING: numerical mismatch between -185.25248 on reference line 90 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -185.25327 on output line 90 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -83: WARNING: numerical mismatch between -192.3822 on reference line 94 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -192.38299 on output line 94 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -83: WARNING: numerical mismatch between -4519.7709 on reference line 100 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -4519.77115 on output line 100 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -83: WARNING: numerical mismatch between 3053.64839 on reference line 101 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 3053.64864 on output line 101 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -83: WARNING: numerical heat mismatch between -192.3822 on reference line 285 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -192.38299 on output line 285 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -83: WARNING: numerical mismatch between -804.92711 on reference line 285 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -804.93045 on output line 285 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -83: WARNING: numerical mismatch between -33809.56058 on reference line 287 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -33809.58819 on output line 287 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -83: WARNING: numerical mismatch between 33624.30811 on reference line 288 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 33624.33492 on output line 288 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -83: WARNING: numerical mismatch between -185.25248 on reference line 289 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -185.25327 on output line 289 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -83: WARNING: numerical mismatch between -192.3822 on reference line 293 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -192.38299 on output line 293 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -83: WARNING: numerical mismatch between -4519.7709 on reference line 304 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -4519.77115 on output line 304 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -83: WARNING: numerical mismatch between 3053.64839 on reference line 305 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 3053.64864 on output line 305 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac - 66/124 Test #84: key-DOUBLET ...................... Passed 0.45 sec + 35/124 Test #52: co_mrci_solv ..................... Passed 1.34 sec test 86 Start 86: key-EXTERNAL-2 86: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "EXTERNAL_2.mop" 86: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 86: Test timeout computed to be: 10000000 -19: -19: -19: MOPAC Job: "Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRX.mop" ended normally on Feb 17, 2025, at 02:04. -19: - 67/124 Test #83: key-DISP ......................... Passed 0.61 sec + 36/124 Test #66: key-1SCF ......................... Passed 1.28 sec + 37/124 Test #67: key-A0 ........................... Passed 1.27 sec + 38/124 Test #61: key-ampersand .................... Passed 1.30 sec test 87 Start 87: key-INDO 87: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "INDO.mop" 87: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 87: Test timeout computed to be: 10000000 -85: -85: -85: MOPAC Job: "EXTERNAL.mop" ended normally on Feb 17, 2025, at 02:04. -85: - 68/124 Test #20: pdb_compare5 ..................... Passed 1.65 sec test 88 Start 88: key-MAXCI 88: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "MAXCI.mop" 88: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 88: Test timeout computed to be: 10000000 -17: -17: -17: MOPAC Job: "Compare_PDB_Bacteriorhodopsin_1AP9_and_2AT9.mop" ended normally on Feb 17, 2025, at 02:04. -17: - 69/124 Test #85: key-EXTERNAL ..................... Passed 0.51 sec test 89 Start 89: key-MECI 89: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "MECI.mop" 89: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 89: Test timeout computed to be: 10000000 - 70/124 Test #19: pdb_compare4 ..................... Passed 1.79 sec +69: WARNING: numerical heat mismatch between -18.19788 on reference line 86 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -18.19844 on output line 86 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +69: WARNING: numerical mismatch between -76.13994 on reference line 86 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -76.14227 on output line 86 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac + 39/124 Test #62: key-plus ......................... Passed 1.30 sec test 90 Start 90: key-MNDO 90: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "MNDO.mop" 90: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 90: Test timeout computed to be: 10000000 - 71/124 Test #17: pdb_compare2 ..................... Passed 1.95 sec +72: +72: +72: MOPAC Job: "AM1.mop" ended normally on Mar 23, 2026, at 10:29. +72: + 40/124 Test #11: pdb1ejg .......................... Passed 1.59 sec test 91 Start 91: key-MNDOD 91: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "MNDOD.mop" 91: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 91: Test timeout computed to be: 10000000 -86: -86: -86: MOPAC Job: "EXTERNAL_2.mop" ended normally on Feb 17, 2025, at 02:04. -86: - 72/124 Test #86: key-EXTERNAL-2 ................... Passed 0.38 sec +72: WARNING: numerical heat mismatch between -79.8614 on reference line 81 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -79.86171 on output line 81 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +72: WARNING: numerical mismatch between -334.1401 on reference line 81 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -334.14139 on output line 81 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac + 41/124 Test #64: key-0SCF ......................... Passed 1.31 sec + 42/124 Test #65: key-1ELECTRON .................... Passed 1.30 sec + 43/124 Test #71: key-ALLVEC ....................... Passed 1.28 sec test 92 Start 92: key-MRCI 92: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "MRCI.mop" 92: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 92: Test timeout computed to be: 10000000 -75: -75: -75: MOPAC Job: "BIRADICAL.mop" ended normally on Feb 17, 2025, at 02:04. -75: -88: -88: -88: MOPAC Job: "MAXCI.mop" ended normally on Feb 17, 2025, at 02:04. -88: -87: -87: -87: MOPAC Job: "INDO.mop" ended normally on Feb 17, 2025, at 02:04. -87: -75: WARNING: numerical heat mismatch between 86.55356 on reference line 118 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 86.55281 on output line 118 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -75: WARNING: numerical mismatch between 362.14011 on reference line 118 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 362.13696 on output line 118 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -75: WARNING: numerical heat mismatch between 86.55356 on reference line 334 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 86.55281 on output line 334 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -75: WARNING: numerical mismatch between 362.14011 on reference line 334 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 362.13696 on output line 334 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac - 73/124 Test #75: key-BIRADICAL .................... Passed 2.06 sec test 93 Start 93: key-MS 93: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "MS.mop" 93: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 93: Test timeout computed to be: 10000000 -89: -89: -89: MOPAC Job: "MECI.mop" ended normally on Feb 17, 2025, at 02:04. -89: -90: -90: -90: MOPAC Job: "MNDO.mop" ended normally on Feb 17, 2025, at 02:04. -90: -89: WARNING: numerical heat mismatch between 8.74306 on reference line 78 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 8.74262 on output line 78 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -89: WARNING: numerical mismatch between 36.58098 on reference line 78 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 36.57911 on output line 78 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -90: WARNING: numerical heat mismatch between -75.10973 on reference line 81 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -75.11002 on output line 81 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -90: WARNING: numerical mismatch between -314.25912 on reference line 81 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -314.26034 on output line 81 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac - 74/124 Test #88: key-MAXCI ........................ Passed 0.57 sec test 94 Start 94: key-NOANCI 94: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "NOANCI.mop" 94: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 94: Test timeout computed to be: 10000000 - 75/124 Test #87: key-INDO ......................... Passed 0.63 sec + 44/124 Test #68: key-AIGIN ........................ Passed 1.30 sec +74: +74: +74: MOPAC Job: "AUTOSYM.mop" ended normally on Mar 23, 2026, at 10:29. +74: +74: WARNING: numerical heat mismatch between 22.9565 on reference line 102 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 22.95541 on output line 102 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +74: WARNING: numerical mismatch between 96.05001 on reference line 102 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 96.04545 on output line 102 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac test 95 Start 95: key-NONET 95: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "NONET.mop" 95: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 95: Test timeout computed to be: 10000000 - 76/124 Test #89: key-MECI ......................... Passed 0.50 sec + 45/124 Test #33: benzene .......................... Passed 1.58 sec + 46/124 Test #69: key-AIGOUT ....................... Passed 1.30 sec test 96 Start 96: key-NOSYM 96: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "NOSYM.mop" 96: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 96: Test timeout computed to be: 10000000 - 77/124 Test #90: key-MNDO ......................... Passed 0.51 sec test 97 Start 97: key-OCTET 97: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "OCTET.mop" 97: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 97: Test timeout computed to be: 10000000 -91: -91: -91: MOPAC Job: "MNDOD.mop" ended normally on Feb 17, 2025, at 02:04. -91: -93: -93: -93: MOPAC Job: "MS.mop" ended normally on Feb 17, 2025, at 02:04. -93: - 78/124 Test #91: key-MNDOD ........................ Passed 0.58 sec +73: +73: +73: MOPAC Job: "ANGSTROMS.mop" ended normally on Mar 23, 2026, at 10:29. +73: +73: WARNING: numerical heat mismatch between -84.51541 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -84.51572 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +73: WARNING: numerical mismatch between -353.61248 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -353.61376 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac + 47/124 Test #72: key-AM1 .......................... Passed 1.30 sec test 98 Start 98: key-OPEN 98: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "OPEN.mop" 98: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 98: Test timeout computed to be: 10000000 -92: -92: -92: MOPAC Job: "MRCI.mop" ended normally on Feb 17, 2025, at 02:04. -92: -94: -94: -94: MOPAC Job: "NOANCI.mop" ended normally on Feb 17, 2025, at 02:04. -94: - 79/124 Test #93: key-MS ........................... Passed 0.45 sec + 48/124 Test #74: key-AUTOSYM ...................... Passed 1.29 sec test 99 Start 99: key-PECI 99: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "PECI.mop" 99: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 99: Test timeout computed to be: 10000000 -96: -96: -96: MOPAC Job: "NOSYM.mop" ended normally on Feb 17, 2025, at 02:04. -96: - 80/124 Test #92: key-MRCI ......................... Passed 0.65 sec + 49/124 Test #73: key-ANGSTROMS .................... Passed 1.31 sec test 100 Start 100: key-PM3 100: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "PM3.mop" 100: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 100: Test timeout computed to be: 10000000 -95: -95: -95: MOPAC Job: "NONET.mop" ended normally on Feb 17, 2025, at 02:04. -95: -97: -97: -97: MOPAC Job: "OCTET.mop" ended normally on Feb 17, 2025, at 02:04. -97: -94: WARNING: numerical mismatch between 32.92723 on reference line 84 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 32.92687 on output line 84 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -94: WARNING: numerical mismatch between 32.92723 on reference line 236 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 32.92688 on output line 236 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac - 81/124 Test #94: key-NOANCI ....................... Passed 0.52 sec +22: +22: +22: MOPAC Job: "Locate_TS.mop" ended normally on Mar 23, 2026, at 10:29. +22: + 50/124 Test #10: pdb1cbn .......................... Passed 1.69 sec +test 15 + Start 15: compare_add-h + +15: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "Compare_ADD-H_1EJG_and_1CBN.mop" +15: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests +15: Test timeout computed to be: 10000000 +80: +80: +80: MOPAC Job: "CIS.mop" ended normally on Mar 23, 2026, at 10:29. +80: +79: +77: +77: +77: MOPAC Job: "CdotIdot.mop" ended normally on Mar 23, 2026, at 10:29. +77: +79: +79: MOPAC Job: "CHARGE.mop" ended normally on Mar 23, 2026, at 10:29. +79: +80: WARNING: numerical heat mismatch between 8.74306 on reference line 78 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 8.74262 on output line 78 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +80: WARNING: numerical mismatch between 36.58098 on reference line 78 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 36.57911 on output line 78 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +80: WARNING: numerical heat mismatch between 14.6638 on reference line 273 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 14.66335 on output line 273 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +80: WARNING: numerical mismatch between 61.35332 on reference line 273 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 61.35146 on output line 273 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +78: +78: +78: MOPAC Job: "CdotIdotDdot.mop" ended normally on Mar 23, 2026, at 10:29. +78: +31: +31: +31: MOPAC Job: "ag20.mop" ended normally on Mar 23, 2026, at 10:29. +31: +12: +12: +12: MOPAC Job: "ADD-H_Bacteriorhodopsin_1AP9.mop" ended normally on Mar 23, 2026, at 10:29. +12: +81: +81: +81: MOPAC Job: "CISD.mop" ended normally on Mar 23, 2026, at 10:29. +81: +79: WARNING: numerical mismatch between 869.38904 on reference line 78 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 869.38917 on output line 78 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +79: WARNING: numerical heat mismatch between 360.4549 on reference line 210 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 360.45506 on output line 210 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +79: WARNING: numerical mismatch between 1508.14332 on reference line 210 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1508.14397 on output line 210 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +79: WARNING: numerical mismatch between 981.81163 on reference line 359 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 981.81185 on output line 359 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac + 51/124 Test #80: key-CIS .......................... Passed 1.25 sec +test 16 + Start 16: pdb_compare + +16: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "Compare_PDB_1EJG_and_1CBN.mop" +16: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests +16: Test timeout computed to be: 10000000 +77: WARNING: numerical heat mismatch between 14.6638 on reference line 76 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 14.66335 on output line 76 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +77: WARNING: numerical mismatch between 61.35332 on reference line 76 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 61.35146 on output line 76 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +77: WARNING: numerical heat mismatch between 8.74306 on reference line 235 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 8.74262 on output line 235 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +77: WARNING: numerical mismatch between 36.58098 on reference line 235 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 36.57911 on output line 235 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +77: WARNING: numerical heat mismatch between 8.74306 on reference line 394 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 8.74262 on output line 394 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +77: WARNING: numerical mismatch between 36.58098 on reference line 394 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 36.57911 on output line 394 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +23: +23: +23: MOPAC Job: "IONIZE.mop" ended normally on Mar 23, 2026, at 10:29. +23: +83: +83: +83: MOPAC Job: "DISP.mop" ended normally on Mar 23, 2026, at 10:29. +83: + 52/124 Test #22: locate_ts ........................ Passed 1.72 sec test 101 Start 101: key-PM6 101: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "PM6.mop" 101: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 101: Test timeout computed to be: 10000000 -96: WARNING: numerical heat mismatch between -14.38448 on reference line 77 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -14.38481 on output line 77 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -96: WARNING: numerical mismatch between -60.18468 on reference line 77 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -60.18604 on output line 77 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -96: WARNING: numerical heat mismatch between -14.38448 on reference line 320 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -14.38481 on output line 320 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -96: WARNING: numerical mismatch between -60.18468 on reference line 320 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -60.18604 on output line 320 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -18: -18: -18: MOPAC Job: "Compare_PDB_Bacteriorhodopsin_1AP9_and_1C3W.mop" ended normally on Feb 17, 2025, at 02:04. -18: -98: -98: -98: MOPAC Job: "OPEN.mop" ended normally on Feb 17, 2025, at 02:04. -98: - 82/124 Test #96: key-NOSYM ........................ Passed 0.54 sec +90: +90: +90: MOPAC Job: "MNDO.mop" ended normally on Mar 23, 2026, at 10:29. +90: + 53/124 Test #79: key-CHARGE ....................... Passed 1.29 sec test 102 Start 102: key-PM6-D3 102: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "PM6-D3.mop" 102: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 102: Test timeout computed to be: 10000000 -97: WARNING: numerical heat mismatch between 2654.15927 on reference line 73 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 2654.16139 on output line 73 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -97: WARNING: numerical mismatch between 11105.0024 on reference line 73 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 11105.01124 on output line 73 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -97: WARNING: numerical heat mismatch between 2654.15927 on reference line 222 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 2654.16139 on output line 222 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -97: WARNING: numerical mismatch between 11105.0024 on reference line 222 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 11105.01124 on output line 222 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -97: WARNING: numerical heat mismatch between 2654.15927 on reference line 374 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 2654.16139 on output line 374 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -97: WARNING: numerical mismatch between 11105.0024 on reference line 374 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 11105.01124 on output line 374 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -97: WARNING: numerical heat mismatch between 2654.15927 on reference line 535 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 2654.16139 on output line 535 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -97: WARNING: numerical mismatch between 11105.0024 on reference line 535 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 11105.01124 on output line 535 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -95: WARNING: numerical heat mismatch between 1889.18768 on reference line 73 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1889.18921 on output line 73 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -95: WARNING: numerical mismatch between 7904.36124 on reference line 73 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 7904.36764 on output line 73 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -95: WARNING: numerical heat mismatch between 1889.18768 on reference line 222 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1889.18921 on output line 222 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -95: WARNING: numerical mismatch between 7904.36124 on reference line 222 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 7904.36764 on output line 222 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -95: WARNING: numerical heat mismatch between 1889.18768 on reference line 374 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1889.18921 on output line 374 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -95: WARNING: numerical mismatch between 7904.36124 on reference line 374 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 7904.36764 on output line 374 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -95: WARNING: numerical heat mismatch between 1889.18768 on reference line 536 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1889.18921 on output line 536 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -95: WARNING: numerical mismatch between 7904.36124 on reference line 536 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 7904.36764 on output line 536 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -98: WARNING: numerical mismatch between 1250.10713 on reference line 88 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1250.10688 on output line 88 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -98: WARNING: numerical mismatch between 1245.97296 on reference line 284 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1245.97271 on output line 284 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -98: WARNING: numerical mismatch between 1250.10713 on reference line 670 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1250.10688 on output line 670 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -98: WARNING: numerical mismatch between 1247.47435 on reference line 1042 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1247.4741 on output line 1042 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac - 83/124 Test #18: pdb_compare3 ..................... Passed 3.11 sec +86: +86: +86: MOPAC Job: "EXTERNAL_2.mop" ended normally on Mar 23, 2026, at 10:29. +86: +88: +88: +88: MOPAC Job: "MAXCI.mop" ended normally on Mar 23, 2026, at 10:29. +88: +90: WARNING: numerical heat mismatch between -75.10973 on reference line 81 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -75.11002 on output line 81 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +90: WARNING: numerical mismatch between -314.25912 on reference line 81 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -314.26034 on output line 81 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac + 54/124 Test #77: key-CdotIdot ..................... Passed 1.33 sec test 103 Start 103: key-PM6-D3H4 103: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "PM6-D3H4.mop" 103: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 103: Test timeout computed to be: 10000000 - 84/124 Test #98: key-OPEN ......................... Passed 0.60 sec +89: +89: +89: MOPAC Job: "MECI.mop" ended normally on Mar 23, 2026, at 10:29. +89: +13: +13: +13: MOPAC Job: "ADD-H_Bacteriorhodopsin_1AT9.mop" ended normally on Mar 23, 2026, at 10:29. +13: +91: +91: +91: MOPAC Job: "MNDOD.mop" ended normally on Mar 23, 2026, at 10:29. +91: +81: WARNING: numerical heat mismatch between 7.84782 on reference line 78 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 7.84737 on output line 78 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +81: WARNING: numerical mismatch between 32.83528 on reference line 78 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 32.8334 on output line 78 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +81: WARNING: numerical heat mismatch between 7.85711 on reference line 401 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 7.85666 on output line 401 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +81: WARNING: numerical mismatch between 32.87415 on reference line 401 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 32.87228 on output line 401 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac + 55/124 Test #78: key-CdotIdotDdot ................. Passed 1.32 sec +83: WARNING: numerical heat mismatch between -192.3822 on reference line 86 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -192.38299 on output line 86 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +83: WARNING: numerical mismatch between -804.92711 on reference line 86 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -804.93045 on output line 86 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +83: WARNING: numerical mismatch between -33809.56058 on reference line 88 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -33809.58819 on output line 88 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +83: WARNING: numerical mismatch between 33624.30811 on reference line 89 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 33624.33492 on output line 89 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +83: WARNING: numerical mismatch between -185.25248 on reference line 90 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -185.25327 on output line 90 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +83: WARNING: numerical mismatch between -192.3822 on reference line 94 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -192.38299 on output line 94 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +83: WARNING: numerical mismatch between -4519.7709 on reference line 100 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -4519.77115 on output line 100 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +83: WARNING: numerical mismatch between 3053.64839 on reference line 101 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 3053.64864 on output line 101 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +83: WARNING: numerical heat mismatch between -192.3822 on reference line 285 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -192.38299 on output line 285 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +83: WARNING: numerical mismatch between -804.92711 on reference line 285 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -804.93045 on output line 285 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +83: WARNING: numerical mismatch between -33809.56058 on reference line 287 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -33809.58819 on output line 287 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +83: WARNING: numerical mismatch between 33624.30811 on reference line 288 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 33624.33492 on output line 288 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +83: WARNING: numerical mismatch between -185.25248 on reference line 289 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -185.25327 on output line 289 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +83: WARNING: numerical mismatch between -192.3822 on reference line 293 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -192.38299 on output line 293 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +83: WARNING: numerical mismatch between -4519.7709 on reference line 304 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -4519.77115 on output line 304 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +83: WARNING: numerical mismatch between 3053.64839 on reference line 305 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 3053.64864 on output line 305 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac test 104 Start 104: key-PM6-D3H4X 104: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "PM6-D3H4X.mop" 104: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 104: Test timeout computed to be: 10000000 - 85/124 Test #97: key-OCTET ........................ Passed 0.80 sec +84: +84: +84: MOPAC Job: "DOUBLET.mop" ended normally on Mar 23, 2026, at 10:29. +84: +93: +93: +93: MOPAC Job: "MS.mop" ended normally on Mar 23, 2026, at 10:29. +93: + 56/124 Test #23: ionize ........................... Passed 1.78 sec +test 24 + Start 24: salt + +24: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "SALT.mop" +24: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests +24: Test timeout computed to be: 10000000 + 57/124 Test #90: key-MNDO ......................... Passed 0.21 sec +94: +94: +94: MOPAC Job: "NOANCI.mop" ended normally on Mar 23, 2026, at 10:29. +94: +test 26 + Start 26: residues + +26: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "SITE_Individual_residues.mop" +26: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests +26: Test timeout computed to be: 10000000 +89: WARNING: numerical heat mismatch between 8.74306 on reference line 78 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 8.74262 on output line 78 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +89: WARNING: numerical mismatch between 36.58098 on reference line 78 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 36.57911 on output line 78 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +87: +87: +87: MOPAC Job: "INDO.mop" ended normally on Mar 23, 2026, at 10:29. +87: + 58/124 Test #86: key-EXTERNAL-2 ................... Passed 0.23 sec test 105 Start 105: key-PM6-DHplus 105: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "PM6-DHplus.mop" 105: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 105: Test timeout computed to be: 10000000 - 86/124 Test #95: key-NONET ........................ Passed 0.83 sec + 59/124 Test #83: key-DISP ......................... Passed 0.25 sec +96: +96: +96: MOPAC Job: "NOSYM.mop" ended normally on Mar 23, 2026, at 10:29. +96: test 106 Start 106: key-PM6-DH2 106: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "PM6-DH2.mop" 106: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 106: Test timeout computed to be: 10000000 -101: -101: -101: MOPAC Job: "PM6.mop" ended normally on Feb 17, 2025, at 02:04. -101: -76: -76: -76: MOPAC Job: "CdotAdotSdot.mop" ended normally on Feb 17, 2025, at 02:04. -76: -100: -100: -100: MOPAC Job: "PM3.mop" ended normally on Feb 17, 2025, at 02:04. -100: -102: -102: -102: MOPAC Job: "PM6-D3.mop" ended normally on Feb 17, 2025, at 02:04. -102: -99: -99: -99: MOPAC Job: "PECI.mop" ended normally on Feb 17, 2025, at 02:04. -99: -105: -105: -105: MOPAC Job: "PM6-DHplus.mop" ended normally on Feb 17, 2025, at 02:04. -105: -104: -104: -104: MOPAC Job: "PM6-D3H4X.mop" ended normally on Feb 17, 2025, at 02:04. -104: -106: -106: -106: MOPAC Job: "PM6-DH2.mop" ended normally on Feb 17, 2025, at 02:04. -106: -106: WARNING: numerical heat mismatch between -84.81729 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -84.8176 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -106: WARNING: numerical mismatch between -354.87556 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -354.87683 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac - 87/124 Test #106: key-PM6-DH2 ...................... Passed 0.34 sec -102: WARNING: numerical heat mismatch between -84.88111 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -84.88142 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -102: WARNING: numerical mismatch between -355.14258 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -355.14385 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -101: WARNING: numerical heat mismatch between -84.81192 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -84.81223 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -101: WARNING: numerical mismatch between -354.85309 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -354.85436 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -105: WARNING: numerical heat mismatch between -84.81729 on reference line 87 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -84.8176 on output line 87 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -105: WARNING: numerical mismatch between -354.87556 on reference line 87 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -354.87683 on output line 87 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -104: WARNING: numerical heat mismatch between -84.81306 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -84.81336 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -104: WARNING: numerical mismatch between -354.85784 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -354.85911 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -100: WARNING: numerical heat mismatch between -85.0678 on reference line 81 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -85.06811 on output line 81 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -100: WARNING: numerical mismatch between -355.92369 on reference line 81 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -355.92497 on output line 81 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac + 60/124 Test #31: ag20 ............................. Passed 1.78 sec + 61/124 Test #81: key-CISD ......................... Passed 1.18 sec test 107 Start 107: key-PM6-DH2X 107: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "PM6-DH2X.mop" 107: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 107: Test timeout computed to be: 10000000 -99: WARNING: numerical heat mismatch between 7.84782 on reference line 78 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 7.84737 on output line 78 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -99: WARNING: numerical mismatch between 32.83528 on reference line 78 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 32.8334 on output line 78 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -99: WARNING: numerical heat mismatch between 8.61328 on reference line 401 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 8.61283 on output line 401 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -99: WARNING: numerical mismatch between 36.03795 on reference line 401 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 36.03607 on output line 401 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac - 88/124 Test #101: key-PM6 .......................... Passed 0.90 sec test 108 Start 108: key-PM7 108: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "PM7.mop" 108: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 108: Test timeout computed to be: 10000000 -103: -103: -103: MOPAC Job: "PM6-D3H4.mop" ended normally on Feb 17, 2025, at 02:04. -103: - 89/124 Test #105: key-PM6-DHplus ................... Passed 0.57 sec +94: WARNING: numerical mismatch between 32.92723 on reference line 84 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 32.92687 on output line 84 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +94: WARNING: numerical mismatch between 32.92723 on reference line 236 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 32.92688 on output line 236 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac + 62/124 Test #91: key-MNDOD ........................ Passed 0.22 sec test 109 Start 109: key-PM7-TS 109: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "PM7-TS.mop" 109: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 109: Test timeout computed to be: 10000000 - 90/124 Test #100: key-PM3 .......................... Passed 1.03 sec - 91/124 Test #102: key-PM6-D3 ....................... Passed 0.86 sec - 92/124 Test #104: key-PM6-D3H4X .................... Passed 0.59 sec + 63/124 Test #88: key-MAXCI ........................ Passed 0.25 sec + 64/124 Test #89: key-MECI ......................... Passed 0.25 sec test 110 Start 110: key-QUARTET @@ -3310,180 +2832,623 @@ 111: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "QUINTET.mop" 111: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 111: Test timeout computed to be: 10000000 +97: +97: +97: MOPAC Job: "OCTET.mop" ended normally on Mar 23, 2026, at 10:29. +97: +84: WARNING: numerical mismatch between 463.20296 on reference line 73 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 463.20323 on output line 73 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +84: WARNING: numerical mismatch between 463.20296 on reference line 222 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 463.20323 on output line 222 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +84: WARNING: numerical mismatch between 580.44941 on reference line 371 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 580.44979 on output line 371 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +84: WARNING: numerical mismatch between 580.44941 on reference line 503 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 580.44979 on output line 503 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +84: WARNING: numerical mismatch between 580.44941 on reference line 638 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 580.44979 on output line 638 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +84: WARNING: numerical mismatch between 580.44941 on reference line 801 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 580.44979 on output line 801 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac + 65/124 Test #93: key-MS ........................... Passed 0.24 sec +100: +100: +100: MOPAC Job: "PM3.mop" ended normally on Mar 23, 2026, at 10:29. +100: test 112 Start 112: key-RHF 112: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "RHF.mop" 112: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 112: Test timeout computed to be: 10000000 - 93/124 Test #76: key-CdotAdotSdot ................. Passed 3.47 sec - 94/124 Test #99: key-PECI ......................... Passed 1.10 sec +96: WARNING: numerical heat mismatch between -14.38448 on reference line 77 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -14.38481 on output line 77 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +96: WARNING: numerical mismatch between -60.18468 on reference line 77 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -60.18604 on output line 77 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +96: WARNING: numerical heat mismatch between -14.38448 on reference line 320 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -14.38481 on output line 320 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +96: WARNING: numerical mismatch between -60.18468 on reference line 320 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -60.18604 on output line 320 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac + 66/124 Test #94: key-NOANCI ....................... Passed 0.24 sec test 113 Start 113: key-RM1 113: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "RM1.mop" 113: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 113: Test timeout computed to be: 10000000 + 67/124 Test #87: key-INDO ......................... Passed 0.28 sec test 114 Start 114: key-ROOT 114: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "ROOT.mop" 114: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 114: Test timeout computed to be: 10000000 -103: WARNING: numerical heat mismatch between -84.81306 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -84.81336 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -103: WARNING: numerical mismatch between -354.85784 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -354.85911 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -59: -59: -59: MOPAC Job: "poly_c8.mop" ended normally on Feb 17, 2025, at 02:04. -59: -108: -108: -108: MOPAC Job: "PM7.mop" ended normally on Feb 17, 2025, at 02:04. -108: -109: -109: -109: MOPAC Job: "PM7-TS.mop" ended normally on Feb 17, 2025, at 02:04. -109: - 95/124 Test #103: key-PM6-D3H4 ..................... Passed 0.95 sec +85: +85: +85: MOPAC Job: "EXTERNAL.mop" ended normally on Mar 23, 2026, at 10:29. +85: +100: WARNING: numerical heat mismatch between -85.0678 on reference line 81 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -85.06811 on output line 81 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +100: WARNING: numerical mismatch between -355.92369 on reference line 81 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -355.92497 on output line 81 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -25.64788041 on reference line 2039 in /build/reproducible-path/mopac-23.0.3/tests and -25.90290178 on output line 2039 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 4.10092057 on reference line 2039 in /build/reproducible-path/mopac-23.0.3/tests and 4.98654585 on output line 2039 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -1.91380926 on reference line 2039 in /build/reproducible-path/mopac-23.0.3/tests and -3.20727348 on output line 2039 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -25.09257502 on reference line 2040 in /build/reproducible-path/mopac-23.0.3/tests and -25.4087177 on output line 2040 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 5.65231367 on reference line 2040 in /build/reproducible-path/mopac-23.0.3/tests and 4.93343674 on output line 2040 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -1.98509769 on reference line 2040 in /build/reproducible-path/mopac-23.0.3/tests and -1.51193826 on output line 2040 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -21.23484618 on reference line 2181 in /build/reproducible-path/mopac-23.0.3/tests and -20.38719751 on output line 2181 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 2.47536281 on reference line 2181 in /build/reproducible-path/mopac-23.0.3/tests and 1.34688967 on output line 2181 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -2.85948844 on reference line 2181 in /build/reproducible-path/mopac-23.0.3/tests and -2.14176648 on output line 2181 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -21.65377643 on reference line 2182 in /build/reproducible-path/mopac-23.0.3/tests and -21.61238342 on output line 2182 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 1.96060373 on reference line 2182 in /build/reproducible-path/mopac-23.0.3/tests and 2.60991373 on output line 2182 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -1.34959202 on reference line 2182 in /build/reproducible-path/mopac-23.0.3/tests and -1.98400172 on output line 2182 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -26.16154718 on reference line 2229 in /build/reproducible-path/mopac-23.0.3/tests and -25.08960339 on output line 2229 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -3.45255965 on reference line 2229 in /build/reproducible-path/mopac-23.0.3/tests and -3.0319964 on output line 2229 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -4.61895174 on reference line 2229 in /build/reproducible-path/mopac-23.0.3/tests and -5.72910324 on output line 2229 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -25.24956665 on reference line 2230 in /build/reproducible-path/mopac-23.0.3/tests and -25.72051406 on output line 2230 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -4.58763738 on reference line 2230 in /build/reproducible-path/mopac-23.0.3/tests and -4.27751575 on output line 2230 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -5.39364956 on reference line 2230 in /build/reproducible-path/mopac-23.0.3/tests and -4.64659076 on output line 2230 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -25.05572927 on reference line 2275 in /build/reproducible-path/mopac-23.0.3/tests and -24.39513201 on output line 2275 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -4.41464752 on reference line 2275 in /build/reproducible-path/mopac-23.0.3/tests and -5.63914024 on output line 2275 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -20.19811683 on reference line 2275 in /build/reproducible-path/mopac-23.0.3/tests and -19.39727313 on output line 2275 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -24.31153851 on reference line 2276 in /build/reproducible-path/mopac-23.0.3/tests and -24.57380567 on output line 2276 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -4.18822066 on reference line 2276 in /build/reproducible-path/mopac-23.0.3/tests and -3.89366359 on output line 2276 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -18.7437518 on reference line 2276 in /build/reproducible-path/mopac-23.0.3/tests and -19.60363926 on output line 2276 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -13.331051 on reference line 2326 in /build/reproducible-path/mopac-23.0.3/tests and -12.377982 on output line 2326 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -6.29196958 on reference line 2326 in /build/reproducible-path/mopac-23.0.3/tests and -5.73598579 on output line 2326 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -1.19306446 on reference line 2326 in /build/reproducible-path/mopac-23.0.3/tests and -2.35890936 on output line 2326 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -13.93062705 on reference line 2327 in /build/reproducible-path/mopac-23.0.3/tests and -13.94066495 on output line 2327 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -5.89968481 on reference line 2327 in /build/reproducible-path/mopac-23.0.3/tests and -6.40711238 on output line 2327 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -2.67862425 on reference line 2327 in /build/reproducible-path/mopac-23.0.3/tests and -1.8805673 on output line 2327 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -9.66389204 on reference line 2343 in /build/reproducible-path/mopac-23.0.3/tests and -9.97920164 on output line 2343 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -0.02768212 on reference line 2343 in /build/reproducible-path/mopac-23.0.3/tests and -1.31268472 on output line 2343 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -8.76583614 on reference line 2343 in /build/reproducible-path/mopac-23.0.3/tests and -7.86780791 on output line 2343 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -8.48082798 on reference line 2344 in /build/reproducible-path/mopac-23.0.3/tests and -8.77019671 on output line 2344 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -0.75211034 on reference line 2344 in /build/reproducible-path/mopac-23.0.3/tests and -0.26571122 on output line 2344 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -7.87374319 on reference line 2344 in /build/reproducible-path/mopac-23.0.3/tests and -8.61837674 on output line 2344 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -19.37912209 on reference line 2751 in /build/reproducible-path/mopac-23.0.3/tests and -19.37958664 on output line 2751 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 3.47728207 on reference line 2751 in /build/reproducible-path/mopac-23.0.3/tests and 3.47704734 on output line 2751 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -19.08015931 on reference line 2752 in /build/reproducible-path/mopac-23.0.3/tests and -19.0372573 on output line 2752 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 4.49485343 on reference line 2752 in /build/reproducible-path/mopac-23.0.3/tests and 4.48530839 on output line 2752 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -0.49596535 on reference line 2752 in /build/reproducible-path/mopac-23.0.3/tests and -0.49870483 on output line 2752 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -0.54423923 on reference line 2754 in /build/reproducible-path/mopac-23.0.3/tests and -0.54493099 on output line 2754 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -1.62568807 on reference line 2754 in /build/reproducible-path/mopac-23.0.3/tests and -1.62535547 on output line 2754 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -18.78786999 on reference line 2755 in /build/reproducible-path/mopac-23.0.3/tests and -18.78736122 on output line 2755 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 0.29726479 on reference line 2755 in /build/reproducible-path/mopac-23.0.3/tests and 0.29823915 on output line 2755 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -0.49623479 on reference line 2755 in /build/reproducible-path/mopac-23.0.3/tests and -0.49709518 on output line 2755 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -23.81540101 on reference line 2757 in /build/reproducible-path/mopac-23.0.3/tests and -23.81586062 on output line 2757 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -1.25990727 on reference line 2757 in /build/reproducible-path/mopac-23.0.3/tests and -1.26113416 on output line 2757 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -7.13784997 on reference line 2757 in /build/reproducible-path/mopac-23.0.3/tests and -7.13973706 on output line 2757 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -25.26717581 on reference line 2758 in /build/reproducible-path/mopac-23.0.3/tests and -25.24114752 on output line 2758 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -0.83209905 on reference line 2758 in /build/reproducible-path/mopac-23.0.3/tests and -0.82622752 on output line 2758 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -6.19924329 on reference line 2758 in /build/reproducible-path/mopac-23.0.3/tests and -6.1841076 on output line 2758 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -26.58771229 on reference line 2760 in /build/reproducible-path/mopac-23.0.3/tests and -26.5869777 on output line 2760 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 4.16641494 on reference line 2760 in /build/reproducible-path/mopac-23.0.3/tests and 4.16626739 on output line 2760 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -5.3507815 on reference line 2760 in /build/reproducible-path/mopac-23.0.3/tests and -5.35016162 on output line 2760 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -26.88168025 on reference line 2761 in /build/reproducible-path/mopac-23.0.3/tests and -27.17146498 on output line 2761 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 5.25771035 on reference line 2761 in /build/reproducible-path/mopac-23.0.3/tests and 5.36654057 on output line 2761 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -3.9762945 on reference line 2761 in /build/reproducible-path/mopac-23.0.3/tests and -4.09317958 on output line 2761 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -20.31543028 on reference line 2763 in /build/reproducible-path/mopac-23.0.3/tests and -20.31508536 on output line 2763 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 8.2425775 on reference line 2763 in /build/reproducible-path/mopac-23.0.3/tests and 8.24284884 on output line 2763 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -2.51021032 on reference line 2763 in /build/reproducible-path/mopac-23.0.3/tests and -2.51099029 on output line 2763 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -19.82835999 on reference line 2764 in /build/reproducible-path/mopac-23.0.3/tests and -19.82422148 on output line 2764 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 8.73371572 on reference line 2764 in /build/reproducible-path/mopac-23.0.3/tests and 8.71896099 on output line 2764 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -1.07641659 on reference line 2764 in /build/reproducible-path/mopac-23.0.3/tests and -1.0753839 on output line 2764 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -26.63705715 on reference line 2766 in /build/reproducible-path/mopac-23.0.3/tests and -26.63758041 on output line 2766 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -8.64375387 on reference line 2766 in /build/reproducible-path/mopac-23.0.3/tests and -8.64517793 on output line 2766 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -13.87510091 on reference line 2766 in /build/reproducible-path/mopac-23.0.3/tests and -13.87534978 on output line 2766 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -27.26626303 on reference line 2767 in /build/reproducible-path/mopac-23.0.3/tests and -27.23019189 on output line 2767 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -8.33661422 on reference line 2767 in /build/reproducible-path/mopac-23.0.3/tests and -8.28839024 on output line 2767 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -12.33206622 on reference line 2767 in /build/reproducible-path/mopac-23.0.3/tests and -12.33564949 on output line 2767 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -18.74263691 on reference line 2769 in /build/reproducible-path/mopac-23.0.3/tests and -18.74352583 on output line 2769 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -10.34613944 on reference line 2769 in /build/reproducible-path/mopac-23.0.3/tests and -10.346813 on output line 2769 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -10.56273523 on reference line 2769 in /build/reproducible-path/mopac-23.0.3/tests and -10.56292657 on output line 2769 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -19.23266328 on reference line 2770 in /build/reproducible-path/mopac-23.0.3/tests and -19.23335143 on output line 2770 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -10.21527924 on reference line 2770 in /build/reproducible-path/mopac-23.0.3/tests and -10.21508147 on output line 2770 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -8.94743906 on reference line 2770 in /build/reproducible-path/mopac-23.0.3/tests and -8.9480993 on output line 2770 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -26.41273843 on reference line 2772 in /build/reproducible-path/mopac-23.0.3/tests and -26.41248837 on output line 2772 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -6.2632241 on reference line 2772 in /build/reproducible-path/mopac-23.0.3/tests and -6.26416148 on output line 2772 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -27.90653229 on reference line 2773 in /build/reproducible-path/mopac-23.0.3/tests and -27.92363514 on output line 2773 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -5.87816793 on reference line 2773 in /build/reproducible-path/mopac-23.0.3/tests and -5.91353847 on output line 2773 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -11.45832761 on reference line 2773 in /build/reproducible-path/mopac-23.0.3/tests and -11.42786521 on output line 2773 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -28.52601312 on reference line 2775 in /build/reproducible-path/mopac-23.0.3/tests and -28.52569076 on output line 2775 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -5.03278692 on reference line 2775 in /build/reproducible-path/mopac-23.0.3/tests and -5.03195924 on output line 2775 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -4.67691671 on reference line 2775 in /build/reproducible-path/mopac-23.0.3/tests and -4.67660822 on output line 2775 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -29.15981812 on reference line 2776 in /build/reproducible-path/mopac-23.0.3/tests and -29.14484039 on output line 2776 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -4.32055685 on reference line 2776 in /build/reproducible-path/mopac-23.0.3/tests and -4.32455686 on output line 2776 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -3.33824004 on reference line 2776 in /build/reproducible-path/mopac-23.0.3/tests and -3.32785299 on output line 2776 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -15.99007761 on reference line 2778 in /build/reproducible-path/mopac-23.0.3/tests and -15.98972429 on output line 2778 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -1.65736055 on reference line 2778 in /build/reproducible-path/mopac-23.0.3/tests and -1.65704454 on output line 2778 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -1.05058627 on reference line 2778 in /build/reproducible-path/mopac-23.0.3/tests and -1.05040335 on output line 2778 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -16.14286897 on reference line 2779 in /build/reproducible-path/mopac-23.0.3/tests and -16.140887 on output line 2779 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -1.35269212 on reference line 2779 in /build/reproducible-path/mopac-23.0.3/tests and -1.3517963 on output line 2779 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 0.50763251 on reference line 2779 in /build/reproducible-path/mopac-23.0.3/tests and 0.50685057 on output line 2779 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -12.57246167 on reference line 2781 in /build/reproducible-path/mopac-23.0.3/tests and -12.57284802 on output line 2781 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 9.78891044 on reference line 2781 in /build/reproducible-path/mopac-23.0.3/tests and 9.78959555 on output line 2781 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -4.17854342 on reference line 2781 in /build/reproducible-path/mopac-23.0.3/tests and -4.17820692 on output line 2781 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -13.78483724 on reference line 2782 in /build/reproducible-path/mopac-23.0.3/tests and -13.83630278 on output line 2782 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 10.56477783 on reference line 2782 in /build/reproducible-path/mopac-23.0.3/tests and 10.49994546 on output line 2782 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -4.81627347 on reference line 2782 in /build/reproducible-path/mopac-23.0.3/tests and -4.80154361 on output line 2782 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -24.43240254 on reference line 2784 in /build/reproducible-path/mopac-23.0.3/tests and -24.43162763 on output line 2784 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 0.81875854 on reference line 2784 in /build/reproducible-path/mopac-23.0.3/tests and 0.81956961 on output line 2784 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -4.25421139 on reference line 2784 in /build/reproducible-path/mopac-23.0.3/tests and -4.25506995 on output line 2784 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -25.87006357 on reference line 2785 in /build/reproducible-path/mopac-23.0.3/tests and -25.83936761 on output line 2785 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 0.97210473 on reference line 2785 in /build/reproducible-path/mopac-23.0.3/tests and 1.0229756 on output line 2785 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -4.76891789 on reference line 2785 in /build/reproducible-path/mopac-23.0.3/tests and -4.75139431 on output line 2785 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 10.35640189 on reference line 2787 in /build/reproducible-path/mopac-23.0.3/tests and 10.356723 on output line 2787 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -1.92773971 on reference line 2787 in /build/reproducible-path/mopac-23.0.3/tests and -1.92792713 on output line 2787 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 11.37284728 on reference line 2788 in /build/reproducible-path/mopac-23.0.3/tests and 11.37250757 on output line 2788 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -0.65843067 on reference line 2788 in /build/reproducible-path/mopac-23.0.3/tests and -0.65818691 on output line 2788 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -15.89089111 on reference line 2790 in /build/reproducible-path/mopac-23.0.3/tests and -15.89063547 on output line 2790 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -5.39333476 on reference line 2790 in /build/reproducible-path/mopac-23.0.3/tests and -5.39391636 on output line 2790 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -1.64983371 on reference line 2790 in /build/reproducible-path/mopac-23.0.3/tests and -1.6492924 on output line 2790 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -17.20379371 on reference line 2791 in /build/reproducible-path/mopac-23.0.3/tests and -17.21612221 on output line 2791 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -5.92038582 on reference line 2791 in /build/reproducible-path/mopac-23.0.3/tests and -5.92621398 on output line 2791 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -1.35454957 on reference line 2791 in /build/reproducible-path/mopac-23.0.3/tests and -1.36608455 on output line 2791 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -16.12868031 on reference line 2793 in /build/reproducible-path/mopac-23.0.3/tests and -15.82546804 on output line 2793 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 9.2231296 on reference line 2793 in /build/reproducible-path/mopac-23.0.3/tests and 9.04598005 on output line 2793 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -0.42508468 on reference line 2793 in /build/reproducible-path/mopac-23.0.3/tests and -0.28619058 on output line 2793 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -15.61174596 on reference line 2794 in /build/reproducible-path/mopac-23.0.3/tests and -15.72305851 on output line 2794 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 9.11147189 on reference line 2794 in /build/reproducible-path/mopac-23.0.3/tests and 9.09420747 on output line 2794 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 1.1904536 on reference line 2794 in /build/reproducible-path/mopac-23.0.3/tests and 1.29170796 on output line 2794 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -26.63872155 on reference line 2796 in /build/reproducible-path/mopac-23.0.3/tests and -26.63771996 on output line 2796 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 4.94394297 on reference line 2796 in /build/reproducible-path/mopac-23.0.3/tests and 4.94405047 on output line 2796 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -10.64025125 on reference line 2796 in /build/reproducible-path/mopac-23.0.3/tests and -10.63855556 on output line 2796 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -27.29716872 on reference line 2797 in /build/reproducible-path/mopac-23.0.3/tests and -27.39641461 on output line 2797 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 5.42799545 on reference line 2797 in /build/reproducible-path/mopac-23.0.3/tests and 5.0443906 on output line 2797 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -9.35039857 on reference line 2797 in /build/reproducible-path/mopac-23.0.3/tests and -9.17720324 on output line 2797 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -25.80096784 on reference line 2799 in /build/reproducible-path/mopac-23.0.3/tests and -25.80129853 on output line 2799 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 1.90314922 on reference line 2799 in /build/reproducible-path/mopac-23.0.3/tests and 1.90388881 on output line 2799 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -5.69591735 on reference line 2799 in /build/reproducible-path/mopac-23.0.3/tests and -5.69409617 on output line 2799 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -27.03882099 on reference line 2800 in /build/reproducible-path/mopac-23.0.3/tests and -27.05268549 on output line 2800 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 2.73641484 on reference line 2800 in /build/reproducible-path/mopac-23.0.3/tests and 2.75579152 on output line 2800 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -5.49823632 on reference line 2800 in /build/reproducible-path/mopac-23.0.3/tests and -5.519357 on output line 2800 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -26.35517002 on reference line 2802 in /build/reproducible-path/mopac-23.0.3/tests and -26.36924173 on output line 2802 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -7.19781955 on reference line 2802 in /build/reproducible-path/mopac-23.0.3/tests and -7.20127875 on output line 2802 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -9.53765266 on reference line 2802 in /build/reproducible-path/mopac-23.0.3/tests and -9.54432161 on output line 2802 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -26.60857866 on reference line 2803 in /build/reproducible-path/mopac-23.0.3/tests and -26.53015671 on output line 2803 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -6.77491802 on reference line 2803 in /build/reproducible-path/mopac-23.0.3/tests and -6.79306657 on output line 2803 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -8.06194087 on reference line 2803 in /build/reproducible-path/mopac-23.0.3/tests and -8.05518195 on output line 2803 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -25.06467931 on reference line 2805 in /build/reproducible-path/mopac-23.0.3/tests and -25.06509356 on output line 2805 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 0.35139106 on reference line 2805 in /build/reproducible-path/mopac-23.0.3/tests and 0.34917689 on output line 2805 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -3.07707087 on reference line 2805 in /build/reproducible-path/mopac-23.0.3/tests and -3.0790991 on output line 2805 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -25.98678174 on reference line 2806 in /build/reproducible-path/mopac-23.0.3/tests and -26.0144229 on output line 2806 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 0.60192149 on reference line 2806 in /build/reproducible-path/mopac-23.0.3/tests and 0.61995651 on output line 2806 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -1.81489644 on reference line 2806 in /build/reproducible-path/mopac-23.0.3/tests and -1.84404272 on output line 2806 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -11.42603282 on reference line 2808 in /build/reproducible-path/mopac-23.0.3/tests and -11.42637517 on output line 2808 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -6.50245652 on reference line 2808 in /build/reproducible-path/mopac-23.0.3/tests and -6.5035041 on output line 2808 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -4.97642129 on reference line 2808 in /build/reproducible-path/mopac-23.0.3/tests and -4.9751341 on output line 2808 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -12.44511525 on reference line 2809 in /build/reproducible-path/mopac-23.0.3/tests and -12.44713535 on output line 2809 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -7.56269294 on reference line 2809 in /build/reproducible-path/mopac-23.0.3/tests and -7.56713161 on output line 2809 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -5.07697787 on reference line 2809 in /build/reproducible-path/mopac-23.0.3/tests and -5.08288059 on output line 2809 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -24.89399494 on reference line 2811 in /build/reproducible-path/mopac-23.0.3/tests and -24.89383873 on output line 2811 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 5.79107399 on reference line 2811 in /build/reproducible-path/mopac-23.0.3/tests and 5.79009039 on output line 2811 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -12.0921481 on reference line 2811 in /build/reproducible-path/mopac-23.0.3/tests and -12.09329317 on output line 2811 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -25.2990424 on reference line 2812 in /build/reproducible-path/mopac-23.0.3/tests and -25.33819089 on output line 2812 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 5.60265724 on reference line 2812 in /build/reproducible-path/mopac-23.0.3/tests and 5.60716047 on output line 2812 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -10.69720955 on reference line 2812 in /build/reproducible-path/mopac-23.0.3/tests and -10.70659749 on output line 2812 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -9.86620113 on reference line 2817 in /build/reproducible-path/mopac-23.0.3/tests and -9.86649419 on output line 2817 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -0.84358839 on reference line 2817 in /build/reproducible-path/mopac-23.0.3/tests and -0.84294687 on output line 2817 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -12.33377815 on reference line 2817 in /build/reproducible-path/mopac-23.0.3/tests and -12.33431704 on output line 2817 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -11.02643753 on reference line 2818 in /build/reproducible-path/mopac-23.0.3/tests and -11.02743399 on output line 2818 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -0.51625563 on reference line 2818 in /build/reproducible-path/mopac-23.0.3/tests and -0.51511405 on output line 2818 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -11.30194648 on reference line 2818 in /build/reproducible-path/mopac-23.0.3/tests and -11.30303646 on output line 2818 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -26.24973513 on reference line 2820 in /build/reproducible-path/mopac-23.0.3/tests and -26.25034932 on output line 2820 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 9.87894813 on reference line 2820 in /build/reproducible-path/mopac-23.0.3/tests and 9.88034354 on output line 2820 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -7.83580958 on reference line 2820 in /build/reproducible-path/mopac-23.0.3/tests and -7.83610679 on output line 2820 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -27.41503889 on reference line 2821 in /build/reproducible-path/mopac-23.0.3/tests and -27.4539626 on output line 2821 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 10.11533718 on reference line 2821 in /build/reproducible-path/mopac-23.0.3/tests and 10.14891782 on output line 2821 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -6.84920741 on reference line 2821 in /build/reproducible-path/mopac-23.0.3/tests and -6.89273781 on output line 2821 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -8.77107219 on reference line 2823 in /build/reproducible-path/mopac-23.0.3/tests and -8.77375084 on output line 2823 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -1.24113291 on reference line 2823 in /build/reproducible-path/mopac-23.0.3/tests and -1.23966625 on output line 2823 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -13.09687958 on reference line 2823 in /build/reproducible-path/mopac-23.0.3/tests and -13.09611937 on output line 2823 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -8.81115641 on reference line 2824 in /build/reproducible-path/mopac-23.0.3/tests and -8.80915902 on output line 2824 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 0.23374834 on reference line 2824 in /build/reproducible-path/mopac-23.0.3/tests and 0.23156178 on output line 2824 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -12.37299479 on reference line 2824 in /build/reproducible-path/mopac-23.0.3/tests and -12.3663575 on output line 2824 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -9.07006428 on reference line 2826 in /build/reproducible-path/mopac-23.0.3/tests and -9.07109057 on output line 2826 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 1.35238972 on reference line 2826 in /build/reproducible-path/mopac-23.0.3/tests and 1.35296182 on output line 2826 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -1.29522842 on reference line 2826 in /build/reproducible-path/mopac-23.0.3/tests and -1.29602834 on output line 2826 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -9.98838636 on reference line 2827 in /build/reproducible-path/mopac-23.0.3/tests and -9.98852672 on output line 2827 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 1.4737518 on reference line 2827 in /build/reproducible-path/mopac-23.0.3/tests and 1.47481546 on output line 2827 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -0.05694729 on reference line 2827 in /build/reproducible-path/mopac-23.0.3/tests and -0.05789473 on output line 2827 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -18.05155902 on reference line 2829 in /build/reproducible-path/mopac-23.0.3/tests and -18.05237255 on output line 2829 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -7.46573504 on reference line 2829 in /build/reproducible-path/mopac-23.0.3/tests and -7.4649597 on output line 2829 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -17.00621241 on reference line 2829 in /build/reproducible-path/mopac-23.0.3/tests and -17.00514651 on output line 2829 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -19.12246956 on reference line 2830 in /build/reproducible-path/mopac-23.0.3/tests and -19.11190335 on output line 2830 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -6.51299867 on reference line 2830 in /build/reproducible-path/mopac-23.0.3/tests and -6.51107168 on output line 2830 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -17.58030053 on reference line 2830 in /build/reproducible-path/mopac-23.0.3/tests and -17.55051805 on output line 2830 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -17.04428349 on reference line 2832 in /build/reproducible-path/mopac-23.0.3/tests and -17.04478647 on output line 2832 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 7.68484657 on reference line 2832 in /build/reproducible-path/mopac-23.0.3/tests and 7.68631371 on output line 2832 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -15.31540235 on reference line 2832 in /build/reproducible-path/mopac-23.0.3/tests and -15.31467703 on output line 2832 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -17.19386112 on reference line 2833 in /build/reproducible-path/mopac-23.0.3/tests and -17.18983826 on output line 2833 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 8.87816785 on reference line 2833 in /build/reproducible-path/mopac-23.0.3/tests and 8.88149311 on output line 2833 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -16.1612366 on reference line 2833 in /build/reproducible-path/mopac-23.0.3/tests and -16.16335424 on output line 2833 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -17.65893202 on reference line 2836 in /build/reproducible-path/mopac-23.0.3/tests and -17.63672804 on output line 2836 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -11.05063419 on reference line 2836 in /build/reproducible-path/mopac-23.0.3/tests and -11.10806463 on output line 2836 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -21.65257249 on reference line 2836 in /build/reproducible-path/mopac-23.0.3/tests and -21.63303127 on output line 2836 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -16.59134279 on reference line 2841 in /build/reproducible-path/mopac-23.0.3/tests and -16.41576282 on output line 2841 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 7.59932934 on reference line 2841 in /build/reproducible-path/mopac-23.0.3/tests and 7.51131586 on output line 2841 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -12.03797243 on reference line 2841 in /build/reproducible-path/mopac-23.0.3/tests and -11.75465435 on output line 2841 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -16.61733971 on reference line 2842 in /build/reproducible-path/mopac-23.0.3/tests and -16.46710645 on output line 2842 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 6.21751144 on reference line 2842 in /build/reproducible-path/mopac-23.0.3/tests and 5.9857306 on output line 2842 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -11.28343673 on reference line 2842 in /build/reproducible-path/mopac-23.0.3/tests and -11.43213905 on output line 2842 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -24.11203152 on reference line 2844 in /build/reproducible-path/mopac-23.0.3/tests and -24.1116519 on output line 2844 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 3.09756434 on reference line 2844 in /build/reproducible-path/mopac-23.0.3/tests and 3.09848229 on output line 2844 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -13.35503391 on reference line 2844 in /build/reproducible-path/mopac-23.0.3/tests and -13.35454503 on output line 2844 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -23.38182005 on reference line 2845 in /build/reproducible-path/mopac-23.0.3/tests and -23.38159643 on output line 2845 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 2.96175172 on reference line 2845 in /build/reproducible-path/mopac-23.0.3/tests and 2.96249257 on output line 2845 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -12.14091649 on reference line 2845 in /build/reproducible-path/mopac-23.0.3/tests and -12.14118773 on output line 2845 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -9.08343845 on reference line 2847 in /build/reproducible-path/mopac-23.0.3/tests and -8.97805041 on output line 2847 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -0.35974774 on reference line 2847 in /build/reproducible-path/mopac-23.0.3/tests and -0.37668719 on output line 2847 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -16.56959649 on reference line 2847 in /build/reproducible-path/mopac-23.0.3/tests and -16.48485522 on output line 2847 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -8.43196051 on reference line 2848 in /build/reproducible-path/mopac-23.0.3/tests and -9.09274884 on output line 2848 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 1.07397591 on reference line 2848 in /build/reproducible-path/mopac-23.0.3/tests and 1.06473541 on output line 2848 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -16.4553602 on reference line 2848 in /build/reproducible-path/mopac-23.0.3/tests and -17.19724947 on output line 2848 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -8.5469163 on reference line 2850 in /build/reproducible-path/mopac-23.0.3/tests and -8.54560377 on output line 2850 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 2.37271789 on reference line 2850 in /build/reproducible-path/mopac-23.0.3/tests and 2.37230166 on output line 2850 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -8.32067004 on reference line 2850 in /build/reproducible-path/mopac-23.0.3/tests and -8.32052798 on output line 2850 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -8.15868058 on reference line 2851 in /build/reproducible-path/mopac-23.0.3/tests and -8.16863774 on output line 2851 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 3.76995826 on reference line 2851 in /build/reproducible-path/mopac-23.0.3/tests and 3.77850659 on output line 2851 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -8.79460878 on reference line 2851 in /build/reproducible-path/mopac-23.0.3/tests and -8.81405455 on output line 2851 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -14.83911413 on reference line 2853 in /build/reproducible-path/mopac-23.0.3/tests and -14.89863175 on output line 2853 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 8.18200013 on reference line 2853 in /build/reproducible-path/mopac-23.0.3/tests and 8.41273068 on output line 2853 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 0.63312758 on reference line 2853 in /build/reproducible-path/mopac-23.0.3/tests and 0.95305449 on output line 2853 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -14.23499265 on reference line 2854 in /build/reproducible-path/mopac-23.0.3/tests and -13.94541701 on output line 2854 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 8.3170698 on reference line 2854 in /build/reproducible-path/mopac-23.0.3/tests and 7.89096662 on output line 2854 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 2.08761338 on reference line 2854 in /build/reproducible-path/mopac-23.0.3/tests and 2.1662108 on output line 2854 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -10.40964255 on reference line 2856 in /build/reproducible-path/mopac-23.0.3/tests and -10.4116109 on output line 2856 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 5.49343688 on reference line 2856 in /build/reproducible-path/mopac-23.0.3/tests and 5.49532471 on output line 2856 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -11.27304047 on reference line 2856 in /build/reproducible-path/mopac-23.0.3/tests and -11.27261984 on output line 2856 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -9.64962453 on reference line 2857 in /build/reproducible-path/mopac-23.0.3/tests and -9.6127948 on output line 2857 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 6.82767825 on reference line 2857 in /build/reproducible-path/mopac-23.0.3/tests and 6.80706307 on output line 2857 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -11.03734378 on reference line 2857 in /build/reproducible-path/mopac-23.0.3/tests and -11.03033722 on output line 2857 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -24.06133351 on reference line 2859 in /build/reproducible-path/mopac-23.0.3/tests and -24.06461636 on output line 2859 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 7.50710141 on reference line 2859 in /build/reproducible-path/mopac-23.0.3/tests and 7.50991984 on output line 2859 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -10.91516357 on reference line 2859 in /build/reproducible-path/mopac-23.0.3/tests and -10.90972453 on output line 2859 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -23.34347313 on reference line 2860 in /build/reproducible-path/mopac-23.0.3/tests and -23.33321584 on output line 2860 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 7.35585998 on reference line 2860 in /build/reproducible-path/mopac-23.0.3/tests and 7.35687354 on output line 2860 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -9.53337347 on reference line 2860 in /build/reproducible-path/mopac-23.0.3/tests and -9.5315698 on output line 2860 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -8.88261942 on reference line 2862 in /build/reproducible-path/mopac-23.0.3/tests and -8.88163046 on output line 2862 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 0.09443301 on reference line 2862 in /build/reproducible-path/mopac-23.0.3/tests and 0.09582129 on output line 2862 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +99: +99: +99: MOPAC Job: "PECI.mop" ended normally on Mar 23, 2026, at 10:29. +99: +14: WARNING: numerical mismatch between -11.29865112 on reference line 2862 in /build/reproducible-path/mopac-23.0.3/tests and -11.29876843 on output line 2862 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -9.10304156 on reference line 2863 in /build/reproducible-path/mopac-23.0.3/tests and -9.12445921 on output line 2863 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 1.24455092 on reference line 2863 in /build/reproducible-path/mopac-23.0.3/tests and 1.20276671 on output line 2863 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -9.93178377 on reference line 2863 in /build/reproducible-path/mopac-23.0.3/tests and -9.86601174 on output line 2863 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -20.58583941 on reference line 2865 in /build/reproducible-path/mopac-23.0.3/tests and -20.58553126 on output line 2865 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -11.98241396 on reference line 2865 in /build/reproducible-path/mopac-23.0.3/tests and -11.98220964 on output line 2865 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -15.88860644 on reference line 2865 in /build/reproducible-path/mopac-23.0.3/tests and -15.8899698 on output line 2865 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -21.46094902 on reference line 2866 in /build/reproducible-path/mopac-23.0.3/tests and -21.46266654 on output line 2866 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -13.12913775 on reference line 2866 in /build/reproducible-path/mopac-23.0.3/tests and -13.13195604 on output line 2866 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -15.70632327 on reference line 2866 in /build/reproducible-path/mopac-23.0.3/tests and -15.71283133 on output line 2866 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -8.78956207 on reference line 2868 in /build/reproducible-path/mopac-23.0.3/tests and -8.7963714 on output line 2868 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 3.52644938 on reference line 2868 in /build/reproducible-path/mopac-23.0.3/tests and 3.52508114 on output line 2868 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -3.87361516 on reference line 2868 in /build/reproducible-path/mopac-23.0.3/tests and -3.87934147 on output line 2868 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -9.12619804 on reference line 2869 in /build/reproducible-path/mopac-23.0.3/tests and -9.07465151 on output line 2869 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 3.85805184 on reference line 2869 in /build/reproducible-path/mopac-23.0.3/tests and 3.89634619 on output line 2869 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -2.42831223 on reference line 2869 in /build/reproducible-path/mopac-23.0.3/tests and -2.43284288 on output line 2869 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -10.51972818 on reference line 2871 in /build/reproducible-path/mopac-23.0.3/tests and -10.48265329 on output line 2871 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -6.19068571 on reference line 2871 in /build/reproducible-path/mopac-23.0.3/tests and -6.16438893 on output line 2871 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -4.00555327 on reference line 2871 in /build/reproducible-path/mopac-23.0.3/tests and -4.05012086 on output line 2871 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -10.42843253 on reference line 2872 in /build/reproducible-path/mopac-23.0.3/tests and -10.61890998 on output line 2872 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -4.93264437 on reference line 2872 in /build/reproducible-path/mopac-23.0.3/tests and -5.07527177 on output line 2872 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -3.11705163 on reference line 2872 in /build/reproducible-path/mopac-23.0.3/tests and -2.97112997 on output line 2872 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -24.32067401 on reference line 2874 in /build/reproducible-path/mopac-23.0.3/tests and -24.32130238 on output line 2874 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -9.73971629 on reference line 2874 in /build/reproducible-path/mopac-23.0.3/tests and -9.7398214 on output line 2874 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -8.41051384 on reference line 2874 in /build/reproducible-path/mopac-23.0.3/tests and -8.40961116 on output line 2874 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -25.67442528 on reference line 2875 in /build/reproducible-path/mopac-23.0.3/tests and -25.67124163 on output line 2875 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -9.13702411 on reference line 2875 in /build/reproducible-path/mopac-23.0.3/tests and -9.12877374 on output line 2875 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -8.36645208 on reference line 2875 in /build/reproducible-path/mopac-23.0.3/tests and -8.37120544 on output line 2875 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -9.87069779 on reference line 2877 in /build/reproducible-path/mopac-23.0.3/tests and -9.87083433 on output line 2877 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 0.77992589 on reference line 2877 in /build/reproducible-path/mopac-23.0.3/tests and 0.78095047 on output line 2877 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -17.93858586 on reference line 2877 in /build/reproducible-path/mopac-23.0.3/tests and -17.93782341 on output line 2877 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -10.98094798 on reference line 2878 in /build/reproducible-path/mopac-23.0.3/tests and -11.29139514 on output line 2878 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 1.79273272 on reference line 2878 in /build/reproducible-path/mopac-23.0.3/tests and 1.66938084 on output line 2878 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -17.89287638 on reference line 2878 in /build/reproducible-path/mopac-23.0.3/tests and -18.03025766 on output line 2878 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -12.17433054 on reference line 2880 in /build/reproducible-path/mopac-23.0.3/tests and -12.17400414 on output line 2880 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -3.02920522 on reference line 2880 in /build/reproducible-path/mopac-23.0.3/tests and -3.02986913 on output line 2880 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -11.44721154 on reference line 2881 in /build/reproducible-path/mopac-23.0.3/tests and -11.40986346 on output line 2881 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 9.72486168 on reference line 2881 in /build/reproducible-path/mopac-23.0.3/tests and 9.74614022 on output line 2881 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -1.81140233 on reference line 2881 in /build/reproducible-path/mopac-23.0.3/tests and -1.82556729 on output line 2881 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -15.85750604 on reference line 2883 in /build/reproducible-path/mopac-23.0.3/tests and -15.85733021 on output line 2883 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -8.84453175 on reference line 2883 in /build/reproducible-path/mopac-23.0.3/tests and -8.84472726 on output line 2883 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -16.56017065 on reference line 2883 in /build/reproducible-path/mopac-23.0.3/tests and -16.55948865 on output line 2883 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -15.63288424 on reference line 2884 in /build/reproducible-path/mopac-23.0.3/tests and -15.62669418 on output line 2884 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -10.26283864 on reference line 2884 in /build/reproducible-path/mopac-23.0.3/tests and -10.25935756 on output line 2884 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -16.21828288 on reference line 2884 in /build/reproducible-path/mopac-23.0.3/tests and -16.21271511 on output line 2884 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -16.00001112 on reference line 2886 in /build/reproducible-path/mopac-23.0.3/tests and -15.62089712 on output line 2886 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 8.08308776 on reference line 2886 in /build/reproducible-path/mopac-23.0.3/tests and 8.26074147 on output line 2886 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -10.92109193 on reference line 2886 in /build/reproducible-path/mopac-23.0.3/tests and -10.94219452 on output line 2886 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -16.64319015 on reference line 2887 in /build/reproducible-path/mopac-23.0.3/tests and -16.58717244 on output line 2887 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 9.314366 on reference line 2887 in /build/reproducible-path/mopac-23.0.3/tests and 9.18700967 on output line 2887 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -10.20224459 on reference line 2887 in /build/reproducible-path/mopac-23.0.3/tests and -10.14429206 on output line 2887 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -8.83323498 on reference line 2889 in /build/reproducible-path/mopac-23.0.3/tests and -8.82835436 on output line 2889 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 2.47000334 on reference line 2889 in /build/reproducible-path/mopac-23.0.3/tests and 2.48942482 on output line 2889 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -2.32560907 on reference line 2889 in /build/reproducible-path/mopac-23.0.3/tests and -2.31999911 on output line 2889 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -7.63880734 on reference line 2890 in /build/reproducible-path/mopac-23.0.3/tests and -7.66163531 on output line 2890 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 1.7079983 on reference line 2890 in /build/reproducible-path/mopac-23.0.3/tests and 1.69500394 on output line 2890 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -2.98760483 on reference line 2890 in /build/reproducible-path/mopac-23.0.3/tests and -2.98654041 on output line 2890 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -18.41149131 on reference line 2892 in /build/reproducible-path/mopac-23.0.3/tests and -18.41180881 on output line 2892 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -9.68402656 on reference line 2892 in /build/reproducible-path/mopac-23.0.3/tests and -9.68467236 on output line 2892 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -21.21870117 on reference line 2892 in /build/reproducible-path/mopac-23.0.3/tests and -21.21967783 on output line 2892 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -19.41629408 on reference line 2893 in /build/reproducible-path/mopac-23.0.3/tests and -19.40086533 on output line 2893 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -8.6549534 on reference line 2893 in /build/reproducible-path/mopac-23.0.3/tests and -8.65248411 on output line 2893 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -20.4878079 on reference line 2893 in /build/reproducible-path/mopac-23.0.3/tests and -20.48574669 on output line 2893 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +98: +98: +98: MOPAC Job: "OPEN.mop" ended normally on Mar 23, 2026, at 10:29. +98: + 68/124 Test #84: key-DOUBLET ...................... Passed 0.31 sec test 115 Start 115: key-SEPTET 115: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "SEPTET.mop" 115: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 115: Test timeout computed to be: 10000000 -113: -113: -113: MOPAC Job: "RM1.mop" ended normally on Feb 17, 2025, at 02:04. -113: -108: WARNING: numerical heat mismatch between -84.51541 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -84.51572 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -108: WARNING: numerical mismatch between -353.61248 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -353.61376 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -109: WARNING: numerical heat mismatch between -40.84667 on reference line 70 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -40.84694 on output line 70 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -109: WARNING: numerical mismatch between -170.90245 on reference line 70 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -170.90361 on output line 70 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -107: -107: -107: MOPAC Job: "PM6-DH2X.mop" ended normally on Feb 17, 2025, at 02:04. -107: - 96/124 Test #108: key-PM7 .......................... Passed 0.51 sec +97: WARNING: numerical heat mismatch between 2654.15927 on reference line 73 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 2654.16139 on output line 73 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +97: WARNING: numerical mismatch between 11105.0024 on reference line 73 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 11105.01124 on output line 73 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +97: WARNING: numerical heat mismatch between 2654.15927 on reference line 222 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 2654.16139 on output line 222 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +97: WARNING: numerical mismatch between 11105.0024 on reference line 222 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 11105.01124 on output line 222 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +97: WARNING: numerical heat mismatch between 2654.15927 on reference line 374 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 2654.16139 on output line 374 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +97: WARNING: numerical mismatch between 11105.0024 on reference line 374 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 11105.01124 on output line 374 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +97: WARNING: numerical heat mismatch between 2654.15927 on reference line 535 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 2654.16139 on output line 535 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +97: WARNING: numerical mismatch between 11105.0024 on reference line 535 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 11105.01124 on output line 535 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac + 69/124 Test #96: key-NOSYM ........................ Passed 0.26 sec test 116 Start 116: key-SEXTET 116: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "SEXTET.mop" 116: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 116: Test timeout computed to be: 10000000 -112: -112: -112: MOPAC Job: "RHF.mop" ended normally on Feb 17, 2025, at 02:04. -112: - 97/124 Test #109: key-PM7-TS ....................... Passed 0.50 sec + 70/124 Test #100: key-PM3 .......................... Passed 0.23 sec test 117 Start 117: key-SINGLET 117: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "SINGLET.mop" 117: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 117: Test timeout computed to be: 10000000 -110: -110: -110: MOPAC Job: "QUARTET.mop" ended normally on Feb 17, 2025, at 02:04. -110: -111: -111: -111: MOPAC Job: "QUINTET.mop" ended normally on Feb 17, 2025, at 02:04. -111: - 98/124 Test #59: poly_c8 .......................... Passed 5.19 sec +15: Mon Mar 23 10:29:50 2026 Job: 'Compare_ADD-H_1EJG_and_1CBN' started successfully + 71/124 Test #85: key-EXTERNAL ..................... Passed 0.33 sec test 118 Start 118: key-SNAP 118: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "SNAP.mop" 118: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 118: Test timeout computed to be: 10000000 -107: WARNING: numerical heat mismatch between -84.81729 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -84.8176 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -107: WARNING: numerical mismatch between -354.87556 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -354.87683 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -113: WARNING: numerical heat mismatch between -81.55398 on reference line 80 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -81.55429 on output line 80 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -113: WARNING: numerical mismatch between -341.22185 on reference line 80 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -341.22315 on output line 80 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -112: WARNING: numerical heat mismatch between -61.93555 on reference line 80 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -61.93566 on output line 80 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -112: WARNING: numerical mismatch between -259.13834 on reference line 80 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -259.1388 on output line 80 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -112: WARNING: numerical mismatch between 32.92723 on reference line 230 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 32.92687 on output line 230 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac - 99/124 Test #107: key-PM6-DH2X ..................... Passed 0.69 sec +3: Mon Mar 23 10:29:50 2026 Job: 'test_Lewis_for_Proteins' started successfully + 72/124 Test #97: key-OCTET ........................ Passed 0.28 sec test 119 Start 119: key-SYMMETRY 119: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "SYMMETRY.mop" 119: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 119: Test timeout computed to be: 10000000 -110: WARNING: numerical heat mismatch between 126.90707 on reference line 73 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 126.90725 on output line 73 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -110: WARNING: numerical mismatch between 530.97919 on reference line 73 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 530.97994 on output line 73 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -110: WARNING: numerical heat mismatch between 126.90707 on reference line 222 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 126.90725 on output line 222 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -110: WARNING: numerical mismatch between 530.97919 on reference line 222 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 530.97994 on output line 222 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -110: WARNING: numerical heat mismatch between 125.20262 on reference line 374 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 125.20272 on output line 374 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -110: WARNING: numerical mismatch between 523.84776 on reference line 374 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 523.84819 on output line 374 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -110: WARNING: numerical heat mismatch between 125.20262 on reference line 535 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 125.20272 on output line 535 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -110: WARNING: numerical mismatch between 523.84776 on reference line 535 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 523.84819 on output line 535 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -111: WARNING: numerical heat mismatch between 704.89987 on reference line 73 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 704.90046 on output line 73 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -111: WARNING: numerical mismatch between 2949.30106 on reference line 73 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 2949.30352 on output line 73 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -111: WARNING: numerical heat mismatch between 704.89987 on reference line 222 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 704.90046 on output line 222 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -111: WARNING: numerical mismatch between 2949.30106 on reference line 222 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 2949.30352 on output line 222 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -111: WARNING: numerical heat mismatch between 708.35733 on reference line 374 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 708.35793 on output line 374 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -111: WARNING: numerical mismatch between 2963.76706 on reference line 374 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 2963.76957 on output line 374 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -111: WARNING: numerical heat mismatch between 708.35733 on reference line 535 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 708.35793 on output line 535 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -111: WARNING: numerical mismatch between 2963.76706 on reference line 535 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 2963.76957 on output line 535 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -100/124 Test #113: key-RM1 .......................... Passed 0.61 sec +95: +95: +95: MOPAC Job: "NONET.mop" ended normally on Mar 23, 2026, at 10:29. +95: +99: WARNING: numerical heat mismatch between 7.84782 on reference line 78 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 7.84737 on output line 78 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +99: WARNING: numerical mismatch between 32.83528 on reference line 78 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 32.8334 on output line 78 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +99: WARNING: numerical heat mismatch between 8.61328 on reference line 401 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 8.61283 on output line 401 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +99: WARNING: numerical mismatch between 36.03795 on reference line 401 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 36.03607 on output line 401 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +101: +101: +101: MOPAC Job: "PM6.mop" ended normally on Mar 23, 2026, at 10:29. +101: +92: +92: +92: MOPAC Job: "MRCI.mop" ended normally on Mar 23, 2026, at 10:29. +92: +98: WARNING: numerical mismatch between 1250.10713 on reference line 88 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1250.10688 on output line 88 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +98: WARNING: numerical mismatch between 1245.97296 on reference line 284 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1245.97271 on output line 284 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +98: WARNING: numerical mismatch between 1250.10713 on reference line 670 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1250.10688 on output line 670 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +98: WARNING: numerical mismatch between 1247.47435 on reference line 1042 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1247.4741 on output line 1042 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac + 73/124 Test #14: add-h3 ........................... Passed 1.92 sec +102: +102: +102: MOPAC Job: "PM6-D3.mop" ended normally on Mar 23, 2026, at 10:29. +102: test 120 Start 120: key-TDIP 120: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "TDIP.mop" 120: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 120: Test timeout computed to be: 10000000 -101/124 Test #112: key-RHF .......................... Passed 0.65 sec +101: WARNING: numerical heat mismatch between -84.81192 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -84.81223 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +101: WARNING: numerical mismatch between -354.85309 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -354.85436 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +102: WARNING: numerical heat mismatch between -84.88111 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -84.88142 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +102: WARNING: numerical mismatch between -355.14258 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -355.14385 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +104: +104: +104: MOPAC Job: "PM6-D3H4X.mop" ended normally on Mar 23, 2026, at 10:29. +104: +95: WARNING: numerical heat mismatch between 1889.18768 on reference line 73 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1889.18921 on output line 73 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +95: WARNING: numerical mismatch between 7904.36124 on reference line 73 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 7904.36764 on output line 73 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +95: WARNING: numerical heat mismatch between 1889.18768 on reference line 222 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1889.18921 on output line 222 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +95: WARNING: numerical mismatch between 7904.36124 on reference line 222 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 7904.36764 on output line 222 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +95: WARNING: numerical heat mismatch between 1889.18768 on reference line 374 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1889.18921 on output line 374 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +95: WARNING: numerical mismatch between 7904.36124 on reference line 374 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 7904.36764 on output line 374 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +95: WARNING: numerical heat mismatch between 1889.18768 on reference line 536 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1889.18921 on output line 536 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +95: WARNING: numerical mismatch between 7904.36124 on reference line 536 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 7904.36764 on output line 536 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac + 74/124 Test #99: key-PECI ......................... Passed 0.31 sec test 121 Start 121: key-TRIPLET 121: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "TRIPLET.mop" 121: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 121: Test timeout computed to be: 10000000 -102/124 Test #110: key-QUARTET ...................... Passed 0.72 sec + 75/124 Test #98: key-OPEN ......................... Passed 0.32 sec test 122 Start 122: key-UHF 122: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "UHF.mop" 122: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 122: Test timeout computed to be: 10000000 -103/124 Test #111: key-QUINTET ...................... Passed 0.73 sec +104: WARNING: numerical heat mismatch between -84.81306 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -84.81336 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +104: WARNING: numerical mismatch between -354.85784 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -354.85911 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac + 76/124 Test #101: key-PM6 .......................... Passed 0.21 sec test 123 Start 123: key-WRTCI 123: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "WRTCI.mop" 123: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 123: Test timeout computed to be: 10000000 -115: -115: -115: MOPAC Job: "SEPTET.mop" ended normally on Feb 17, 2025, at 02:04. -115: -116: -116: -116: MOPAC Job: "SEXTET.mop" ended normally on Feb 17, 2025, at 02:04. -116: + 77/124 Test #102: key-PM6-D3 ....................... Passed 0.22 sec +test 124 + Start 124: key-WRTCONF + +124: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "WRTCONF.mop" +124: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords +124: Test timeout computed to be: 10000000 + 78/124 Test #104: key-PM6-D3H4X .................... Passed 0.20 sec +105: +105: +105: MOPAC Job: "PM6-DHplus.mop" ended normally on Mar 23, 2026, at 10:29. +105: + 79/124 Test #95: key-NONET ........................ Passed 0.37 sec +103: +103: +103: MOPAC Job: "PM6-D3H4.mop" ended normally on Mar 23, 2026, at 10:29. +103: +109: +109: +109: MOPAC Job: "PM7-TS.mop" ended normally on Mar 23, 2026, at 10:29. +109: +105: WARNING: numerical heat mismatch between -84.81729 on reference line 87 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -84.8176 on output line 87 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +105: WARNING: numerical mismatch between -354.87556 on reference line 87 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -354.87683 on output line 87 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +109: WARNING: numerical heat mismatch between -40.84667 on reference line 70 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -40.84694 on output line 70 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +109: WARNING: numerical mismatch between -170.90245 on reference line 70 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -170.90361 on output line 70 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +103: WARNING: numerical heat mismatch between -84.81306 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -84.81336 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +103: WARNING: numerical mismatch between -354.85784 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -354.85911 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac + 80/124 Test #92: key-MRCI ......................... Passed 0.40 sec +107: +107: +107: MOPAC Job: "PM6-DH2X.mop" ended normally on Mar 23, 2026, at 10:29. +107: +106: +106: +106: MOPAC Job: "PM6-DH2.mop" ended normally on Mar 23, 2026, at 10:29. +106: +107: WARNING: numerical heat mismatch between -84.81729 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -84.8176 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +107: WARNING: numerical mismatch between -354.87556 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -354.87683 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +106: WARNING: numerical heat mismatch between -84.81729 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -84.8176 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +106: WARNING: numerical mismatch between -354.87556 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -354.87683 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac + 81/124 Test #103: key-PM6-D3H4 ..................... Passed 0.25 sec +112: +112: +112: MOPAC Job: "RHF.mop" ended normally on Mar 23, 2026, at 10:29. +112: +108: +113: +113: +113: MOPAC Job: "RM1.mop" ended normally on Mar 23, 2026, at 10:29. +113: +108: +108: MOPAC Job: "PM7.mop" ended normally on Mar 23, 2026, at 10:29. +108: + 82/124 Test #105: key-PM6-DHplus ................... Passed 0.22 sec + 83/124 Test #109: key-PM7-TS ....................... Passed 0.20 sec +112: WARNING: numerical heat mismatch between -61.93555 on reference line 80 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -61.93566 on output line 80 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +112: WARNING: numerical mismatch between -259.13834 on reference line 80 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -259.1388 on output line 80 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +112: WARNING: numerical mismatch between 32.92723 on reference line 230 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 32.92687 on output line 230 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +108: WARNING: numerical heat mismatch between -84.51541 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -84.51572 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +108: WARNING: numerical mismatch between -353.61248 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -353.61376 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +110: +113: WARNING: numerical heat mismatch between -81.55398 on reference line 80 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -81.55429 on output line 80 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +113: WARNING: numerical mismatch between -341.22185 on reference line 80 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -341.22315 on output line 80 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +110: +110: MOPAC Job: "QUARTET.mop" ended normally on Mar 23, 2026, at 10:29. +110: +24: Mon Mar 23 10:29:50 2026 Job: 'SALT' started successfully + 84/124 Test #106: key-PM6-DH2 ...................... Passed 0.23 sec +15: +15: +15: MOPAC Job: "Compare_ADD-H_1EJG_and_1CBN.mop" ended normally on Mar 23, 2026, at 10:29. +15: + 85/124 Test #107: key-PM6-DH2X ..................... Passed 0.23 sec +16: Mon Mar 23 10:29:50 2026 Job: 'Compare_PDB_1EJG_and_1CBN' started successfully + 86/124 Test #112: key-RHF .......................... Passed 0.21 sec + 87/124 Test #108: key-PM7 .......................... Passed 0.24 sec + 88/124 Test #113: key-RM1 .......................... Passed 0.21 sec +26: Mon Mar 23 10:29:50 2026 Job: 'SITE_Individual_residues' started successfully +110: WARNING: numerical heat mismatch between 126.90707 on reference line 73 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 126.90725 on output line 73 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +110: WARNING: numerical mismatch between 530.97919 on reference line 73 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 530.97994 on output line 73 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +110: WARNING: numerical heat mismatch between 126.90707 on reference line 222 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 126.90725 on output line 222 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +110: WARNING: numerical mismatch between 530.97919 on reference line 222 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 530.97994 on output line 222 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +110: WARNING: numerical heat mismatch between 125.20262 on reference line 374 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 125.20272 on output line 374 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +110: WARNING: numerical mismatch between 523.84776 on reference line 374 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 523.84819 on output line 374 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +110: WARNING: numerical heat mismatch between 125.20262 on reference line 535 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 125.20272 on output line 535 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +110: WARNING: numerical mismatch between 523.84776 on reference line 535 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 523.84819 on output line 535 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac + 89/124 Test #15: compare_add-h .................... Passed 0.38 sec 117: 117: -117: MOPAC Job: "SINGLET.mop" ended normally on Feb 17, 2025, at 02:04. +117: MOPAC Job: "SINGLET.mop" ended normally on Mar 23, 2026, at 10:29. 117: +117: WARNING: numerical mismatch between -35.54835 on reference line 85 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -35.54877 on output line 85 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +117: WARNING: numerical mismatch between 59.76507 on reference line 273 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 59.76473 on output line 273 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +118: +118: +118: MOPAC Job: "SNAP.mop" ended normally on Mar 23, 2026, at 10:29. +118: + 90/124 Test #110: key-QUARTET ...................... Passed 0.26 sec +111: +111: +111: MOPAC Job: "QUINTET.mop" ended normally on Mar 23, 2026, at 10:29. +111: + 91/124 Test #117: key-SINGLET ...................... Passed 0.21 sec 120: 120: -120: MOPAC Job: "TDIP.mop" ended normally on Feb 17, 2025, at 02:04. +120: MOPAC Job: "TDIP.mop" ended normally on Mar 23, 2026, at 10:29. 120: -115: WARNING: numerical heat mismatch between 1293.36484 on reference line 73 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1293.3659 on output line 73 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -115: WARNING: numerical mismatch between 5411.43848 on reference line 73 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 5411.44291 on output line 73 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -115: WARNING: numerical heat mismatch between 1293.36484 on reference line 222 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1293.3659 on output line 222 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -115: WARNING: numerical mismatch between 5411.43848 on reference line 222 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 5411.44291 on output line 222 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -115: WARNING: numerical heat mismatch between 1298.14481 on reference line 374 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1298.14588 on output line 374 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -115: WARNING: numerical mismatch between 5431.4379 on reference line 374 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 5431.44236 on output line 374 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -115: WARNING: numerical heat mismatch between 1298.14481 on reference line 535 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1298.14588 on output line 535 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -115: WARNING: numerical mismatch between 5431.4379 on reference line 535 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 5431.44236 on output line 535 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +118: WARNING: numerical heat mismatch between -14.37282 on reference line 75 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -14.37315 on output line 75 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +118: WARNING: numerical mismatch between -60.13588 on reference line 75 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -60.13724 on output line 75 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +118: WARNING: numerical heat mismatch between -14.37287 on reference line 227 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -14.3732 on output line 227 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +118: WARNING: numerical mismatch between -60.13611 on reference line 227 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -60.13747 on output line 227 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +118: WARNING: numerical heat mismatch between -14.37287 on reference line 378 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -14.3732 on output line 378 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +118: WARNING: numerical mismatch between -60.13611 on reference line 378 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -60.13747 on output line 378 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +116: +116: +116: MOPAC Job: "SEXTET.mop" ended normally on Mar 23, 2026, at 10:29. +116: 122: 122: -122: MOPAC Job: "UHF.mop" ended normally on Feb 17, 2025, at 02:04. +122: MOPAC Job: "UHF.mop" ended normally on Mar 23, 2026, at 10:29. 122: -117: WARNING: numerical mismatch between -35.54835 on reference line 85 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -35.54877 on output line 85 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -117: WARNING: numerical mismatch between 59.76507 on reference line 273 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 59.76473 on output line 273 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +115: +115: +115: MOPAC Job: "SEPTET.mop" ended normally on Mar 23, 2026, at 10:29. +115: +111: WARNING: numerical heat mismatch between 704.89987 on reference line 73 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 704.90046 on output line 73 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +111: WARNING: numerical mismatch between 2949.30106 on reference line 73 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 2949.30352 on output line 73 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +111: WARNING: numerical heat mismatch between 704.89987 on reference line 222 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 704.90046 on output line 222 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +111: WARNING: numerical mismatch between 2949.30106 on reference line 222 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 2949.30352 on output line 222 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +111: WARNING: numerical heat mismatch between 708.35733 on reference line 374 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 708.35793 on output line 374 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +111: WARNING: numerical mismatch between 2963.76706 on reference line 374 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 2963.76957 on output line 374 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +111: WARNING: numerical heat mismatch between 708.35733 on reference line 535 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 708.35793 on output line 535 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +111: WARNING: numerical mismatch between 2963.76706 on reference line 535 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 2963.76957 on output line 535 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac + 92/124 Test #118: key-SNAP ......................... Passed 0.23 sec +123: +123: +123: MOPAC Job: "WRTCI.mop" ended normally on Mar 23, 2026, at 10:29. +123: +119: +119: +119: MOPAC Job: "SYMMETRY.mop" ended normally on Mar 23, 2026, at 10:29. +119: +122: WARNING: numerical heat mismatch between -61.93555 on reference line 80 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -61.93566 on output line 80 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +122: WARNING: numerical mismatch between -259.13836 on reference line 80 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -259.13882 on output line 80 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +122: WARNING: numerical mismatch between 30.36323 on reference line 244 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 30.36287 on output line 244 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac + 93/124 Test #120: key-TDIP ......................... Passed 0.20 sec 116: WARNING: numerical heat mismatch between 1352.10281 on reference line 73 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1352.10392 on output line 73 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 116: WARNING: numerical mismatch between 5657.19815 on reference line 73 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 5657.2028 on output line 73 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 116: WARNING: numerical heat mismatch between 1352.10281 on reference line 222 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1352.10392 on output line 222 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac @@ -3492,44 +3457,29 @@ 116: WARNING: numerical mismatch between 5657.55001 on reference line 374 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 5657.55466 on output line 374 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 116: WARNING: numerical heat mismatch between 1352.1869 on reference line 535 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1352.18802 on output line 535 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 116: WARNING: numerical mismatch between 5657.55001 on reference line 535 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 5657.55466 on output line 535 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -104/124 Test #115: key-SEPTET ....................... Passed 0.76 sec -test 124 - Start 124: key-WRTCONF - -124: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "WRTCONF.mop" -124: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords -124: Test timeout computed to be: 10000000 -105/124 Test #117: key-SINGLET ...................... Passed 0.68 sec -106/124 Test #116: key-SEXTET ....................... Passed 0.72 sec -118: -118: -118: MOPAC Job: "SNAP.mop" ended normally on Feb 17, 2025, at 02:04. -118: -122: WARNING: numerical heat mismatch between -61.93555 on reference line 80 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -61.93566 on output line 80 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -122: WARNING: numerical mismatch between -259.13836 on reference line 80 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -259.13882 on output line 80 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -122: WARNING: numerical mismatch between 30.36323 on reference line 244 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 30.36287 on output line 244 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -107/124 Test #122: key-UHF .......................... Passed 0.52 sec -108/124 Test #120: key-TDIP ......................... Passed 0.60 sec -123: -123: -123: MOPAC Job: "WRTCI.mop" ended normally on Feb 17, 2025, at 02:04. -123: + 94/124 Test #111: key-QUINTET ...................... Passed 0.30 sec 121: 121: -121: MOPAC Job: "TRIPLET.mop" ended normally on Feb 17, 2025, at 02:04. +121: MOPAC Job: "TRIPLET.mop" ended normally on Mar 23, 2026, at 10:29. 121: -118: WARNING: numerical heat mismatch between -14.37282 on reference line 75 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -14.37315 on output line 75 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -118: WARNING: numerical mismatch between -60.13588 on reference line 75 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -60.13724 on output line 75 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -118: WARNING: numerical heat mismatch between -14.37287 on reference line 227 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -14.3732 on output line 227 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -118: WARNING: numerical mismatch between -60.13611 on reference line 227 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -60.13747 on output line 227 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -118: WARNING: numerical heat mismatch between -14.37287 on reference line 378 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -14.3732 on output line 378 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -118: WARNING: numerical mismatch between -60.13611 on reference line 378 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -60.13747 on output line 378 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -119: -119: -119: MOPAC Job: "SYMMETRY.mop" ended normally on Feb 17, 2025, at 02:04. -119: -109/124 Test #123: key-WRTCI ........................ Passed 0.60 sec -110/124 Test #118: key-SNAP ......................... Passed 0.82 sec + 95/124 Test #122: key-UHF .......................... Passed 0.19 sec + 96/124 Test #116: key-SEXTET ....................... Passed 0.27 sec +115: WARNING: numerical heat mismatch between 1293.36484 on reference line 73 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1293.3659 on output line 73 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +115: WARNING: numerical mismatch between 5411.43848 on reference line 73 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 5411.44291 on output line 73 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +115: WARNING: numerical heat mismatch between 1293.36484 on reference line 222 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1293.3659 on output line 222 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +115: WARNING: numerical mismatch between 5411.43848 on reference line 222 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 5411.44291 on output line 222 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +115: WARNING: numerical heat mismatch between 1298.14481 on reference line 374 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1298.14588 on output line 374 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +115: WARNING: numerical mismatch between 5431.4379 on reference line 374 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 5431.44236 on output line 374 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +115: WARNING: numerical heat mismatch between 1298.14481 on reference line 535 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1298.14588 on output line 535 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +115: WARNING: numerical mismatch between 5431.4379 on reference line 535 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 5431.44236 on output line 535 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +124: +124: +124: MOPAC Job: "WRTCONF.mop" ended normally on Mar 23, 2026, at 10:29. +124: +16: +16: +16: MOPAC Job: "Compare_PDB_1EJG_and_1CBN.mop" ended normally on Mar 23, 2026, at 10:29. +16: 119: WARNING: numerical heat mismatch between 16.84931 on reference line 98 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 16.84886 on output line 98 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 119: WARNING: numerical mismatch between 70.49749 on reference line 98 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 70.49565 on output line 98 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 119: WARNING: numerical heat mismatch between 13.85544 on reference line 293 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 13.855 on output line 293 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac @@ -3540,7 +3490,9 @@ 119: WARNING: numerical mismatch between 280.41882 on reference line 637 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 280.41805 on output line 637 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 119: WARNING: numerical heat mismatch between 66.85441 on reference line 805 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 66.85422 on output line 805 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 119: WARNING: numerical mismatch between 279.71884 on reference line 805 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 279.71807 on output line 805 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -111/124 Test #119: key-SYMMETRY ..................... Passed 0.84 sec + 97/124 Test #123: key-WRTCI ........................ Passed 0.21 sec + 98/124 Test #119: key-SYMMETRY ..................... Passed 0.27 sec + 99/124 Test #115: key-SEPTET ....................... Passed 0.31 sec 121: WARNING: numerical heat mismatch between 93.14412 on reference line 73 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 93.14423 on output line 73 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 121: WARNING: numerical mismatch between 389.71498 on reference line 73 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 389.71545 on output line 73 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 121: WARNING: numerical heat mismatch between 93.14412 on reference line 222 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 93.14423 on output line 222 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac @@ -3549,410 +3501,515 @@ 121: WARNING: numerical mismatch between 393.55788 on reference line 374 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 393.55834 on output line 374 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 121: WARNING: numerical heat mismatch between 94.06259 on reference line 535 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 94.0627 on output line 535 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 121: WARNING: numerical mismatch between 393.55788 on reference line 535 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 393.55834 on output line 535 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -112/124 Test #121: key-TRIPLET ...................... Passed 0.81 sec -124: -124: -124: MOPAC Job: "WRTCONF.mop" ended normally on Feb 17, 2025, at 02:04. -124: -113/124 Test #124: key-WRTCONF ...................... Passed 0.43 sec -21: -21: -21: MOPAC Job: "Compare_PDB_Bacteriorhodopsin_1AP9_and_1AT9.mop" ended normally on Feb 17, 2025, at 02:04. -21: -114/124 Test #21: pdb_compare6 ..................... Passed 6.35 sec -32: -32: -32: MOPAC Job: "ag20_cis_active.mop" ended normally on Feb 17, 2025, at 02:04. -32: -115/124 Test #32: ag20_cis_active .................. Passed 9.82 sec -28: -28: -28: MOPAC Job: "erratic2.mop" ended normally on Feb 17, 2025, at 02:04. -28: -116/124 Test #28: erratic-2 ........................ Passed 11.78 sec +100/124 Test #16: pdb_compare ...................... Passed 0.45 sec +101/124 Test #121: key-TRIPLET ...................... Passed 0.24 sec +102/124 Test #124: key-WRTCONF ...................... Passed 0.22 sec +75: +75: +75: MOPAC Job: "BIRADICAL.mop" ended normally on Mar 23, 2026, at 10:29. +75: +75: WARNING: numerical heat mismatch between 86.55356 on reference line 118 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 86.55281 on output line 118 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +75: WARNING: numerical mismatch between 362.14011 on reference line 118 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 362.13696 on output line 118 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +75: WARNING: numerical heat mismatch between 86.55356 on reference line 334 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 86.55281 on output line 334 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +75: WARNING: numerical mismatch between 362.14011 on reference line 334 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 362.13696 on output line 334 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +103/124 Test #75: key-BIRADICAL .................... Passed 1.88 sec +24: +24: +24: MOPAC Job: "SALT.mop" ended normally on Mar 23, 2026, at 10:29. +24: +104/124 Test #12: add-h ............................ Passed 2.37 sec +105/124 Test #24: salt ............................. Passed 0.59 sec +106/124 Test #13: add-h2 ........................... Passed 2.41 sec +test 17 + Start 17: pdb_compare2 + +17: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "Compare_PDB_Bacteriorhodopsin_1AP9_and_2AT9.mop" "Bacteriorhodopsin_2AT9.ent" +17: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests +17: Test timeout computed to be: 10000000 +test 18 + Start 18: pdb_compare3 + +18: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "Compare_PDB_Bacteriorhodopsin_1AP9_and_1C3W.mop" "Bacteriorhodopsin_1C3W.ent" +18: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests +18: Test timeout computed to be: 10000000 +test 19 + Start 19: pdb_compare4 + +19: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRX.mop" "Bacteriorhodopsin_1BRX.ent" +19: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-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-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRR.mop" "Bacteriorhodopsin_1BRR.ent" +20: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests +20: Test timeout computed to be: 10000000 +test 21 + Start 21: pdb_compare6 + +21: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "Compare_PDB_Bacteriorhodopsin_1AP9_and_1AT9.mop" +21: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests +21: Test timeout computed to be: 10000000 +17: Mon Mar 23 10:29:51 2026 Job: 'Compare_PDB_Bacteriorhodopsin_1AP9_and_2AT9' started successfully +19: Mon Mar 23 10:29:51 2026 Job: 'Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRX' started successfully +18: Mon Mar 23 10:29:51 2026 Job: 'Compare_PDB_Bacteriorhodopsin_1AP9_and_1C3W' started successfully +20: Mon Mar 23 10:29:51 2026 Job: 'Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRR' started successfully +21: Mon Mar 23 10:29:51 2026 Job: 'Compare_PDB_Bacteriorhodopsin_1AP9_and_1AT9' started successfully +26: +26: +26: MOPAC Job: "SITE_Individual_residues.mop" ended normally on Mar 23, 2026, at 10:29. +26: +107/124 Test #26: residues ......................... Passed 0.92 sec +76: +76: +76: MOPAC Job: "CdotAdotSdot.mop" ended normally on Mar 23, 2026, at 10:29. +76: +108/124 Test #76: key-CdotAdotSdot ................. Passed 2.49 sec +19: +19: +19: MOPAC Job: "Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRX.mop" ended normally on Mar 23, 2026, at 10:29. +19: +18: +18: +18: MOPAC Job: "Compare_PDB_Bacteriorhodopsin_1AP9_and_1C3W.mop" ended normally on Mar 23, 2026, at 10:29. +18: +17: +17: +17: MOPAC Job: "Compare_PDB_Bacteriorhodopsin_1AP9_and_2AT9.mop" ended normally on Mar 23, 2026, at 10:29. +17: +20: +20: +20: MOPAC Job: "Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRR.mop" ended normally on Mar 23, 2026, at 10:29. +20: +109/124 Test #19: pdb_compare4 ..................... Passed 0.69 sec +110/124 Test #20: pdb_compare5 ..................... Passed 0.71 sec +59: +59: +59: MOPAC Job: "poly_c8.mop" ended normally on Mar 23, 2026, at 10:29. +59: +111/124 Test #17: pdb_compare2 ..................... Passed 0.73 sec +112/124 Test #18: pdb_compare3 ..................... Passed 0.76 sec +113/124 Test #59: poly_c8 .......................... Passed 2.96 sec 82: 82: -82: MOPAC Job: "CISDT.mop" ended normally on Feb 17, 2025, at 02:04. +82: MOPAC Job: "CISDT.mop" ended normally on Mar 23, 2026, at 10:29. 82: -30: Passed API test 10 -117/124 Test #30: mopac-api-test ................... Passed 11.65 sec +32: +32: +32: MOPAC Job: "ag20_cis_active.mop" ended normally on Mar 23, 2026, at 10:29. +32: +114/124 Test #32: ag20_cis_active .................. Passed 4.60 sec 82: WARNING: numerical heat mismatch between 6.52314 on reference line 78 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 6.52269 on output line 78 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 82: WARNING: numerical mismatch between 27.29281 on reference line 78 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 27.29093 on output line 78 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 82: WARNING: numerical heat mismatch between 6.58382 on reference line 1857 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 6.58337 on output line 1857 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 82: WARNING: numerical mismatch between 27.54671 on reference line 1857 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 27.54483 on output line 1857 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -118/124 Test #82: key-CISDT ........................ Passed 8.22 sec -27: -27: -27: MOPAC Job: "erratic1.mop" ended normally on Feb 17, 2025, at 02:04. -27: -27: WARNING: numerical heat mismatch between -167.66206 on reference line 360 in /build/reproducible-path/mopac-23.0.3/tests and -167.67681 on output line 402 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -701.49806 on reference line 360 in /build/reproducible-path/mopac-23.0.3/tests and -701.55979 on output line 402 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -62312.34782 on reference line 362 in /build/reproducible-path/mopac-23.0.3/tests and -62312.35992 on output line 404 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -160.75863 on reference line 364 in /build/reproducible-path/mopac-23.0.3/tests and -160.77073 on output line 406 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -5.57884 on reference line 365 in /build/reproducible-path/mopac-23.0.3/tests and -5.57805 on output line 407 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.32459 on reference line 366 in /build/reproducible-path/mopac-23.0.3/tests and -1.32803 on output line 408 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -167.66206 on reference line 367 in /build/reproducible-path/mopac-23.0.3/tests and -167.67681 on output line 409 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -2702.11915 on reference line 372 in /build/reproducible-path/mopac-23.0.3/tests and -2702.11967 on output line 414 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -16549.96563 on reference line 373 in /build/reproducible-path/mopac-23.0.3/tests and -16548.50004 on output line 415 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 13847.84648 on reference line 374 in /build/reproducible-path/mopac-23.0.3/tests and 13846.38037 on output line 416 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 230.06 on reference line 375 in /build/reproducible-path/mopac-23.0.3/tests and 230.41 on output line 417 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 254.54 on reference line 376 in /build/reproducible-path/mopac-23.0.3/tests and 254.75 on output line 418 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.876 on reference line 380 in /build/reproducible-path/mopac-23.0.3/tests and 0.877 on output line 422 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -2.59953271 on reference line 403 in /build/reproducible-path/mopac-23.0.3/tests and -2.60397376 on output line 445 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -2.77575526 on reference line 403 in /build/reproducible-path/mopac-23.0.3/tests and -2.77309136 on output line 445 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.41403348 on reference line 403 in /build/reproducible-path/mopac-23.0.3/tests and -0.41189627 on output line 445 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.87686704 on reference line 404 in /build/reproducible-path/mopac-23.0.3/tests and -1.87360695 on output line 446 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.57709686 on reference line 404 in /build/reproducible-path/mopac-23.0.3/tests and -1.5788082 on output line 446 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.11334803 on reference line 404 in /build/reproducible-path/mopac-23.0.3/tests and 0.1145599 on output line 446 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.5710808 on reference line 405 in /build/reproducible-path/mopac-23.0.3/tests and -1.56945627 on output line 447 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.40333884 on reference line 405 in /build/reproducible-path/mopac-23.0.3/tests and -1.40396499 on output line 447 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.27574228 on reference line 405 in /build/reproducible-path/mopac-23.0.3/tests and 1.27718546 on output line 447 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.60327578 on reference line 406 in /build/reproducible-path/mopac-23.0.3/tests and -1.59524896 on output line 448 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.71421711 on reference line 406 in /build/reproducible-path/mopac-23.0.3/tests and -0.71842758 on output line 448 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.85842567 on reference line 406 in /build/reproducible-path/mopac-23.0.3/tests and -0.85818749 on output line 448 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.89666343 on reference line 407 in /build/reproducible-path/mopac-23.0.3/tests and -0.89389776 on output line 449 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.54570105 on reference line 407 in /build/reproducible-path/mopac-23.0.3/tests and 0.54430217 on output line 449 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.52366121 on reference line 407 in /build/reproducible-path/mopac-23.0.3/tests and -0.52274809 on output line 449 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.39949204 on reference line 408 in /build/reproducible-path/mopac-23.0.3/tests and -1.40237351 on output line 450 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.43423735 on reference line 408 in /build/reproducible-path/mopac-23.0.3/tests and 1.432825 on output line 450 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.68105693 on reference line 408 in /build/reproducible-path/mopac-23.0.3/tests and -1.67755927 on output line 450 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.00548105 on reference line 409 in /build/reproducible-path/mopac-23.0.3/tests and -1.01514762 on output line 451 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.49999724 on reference line 409 in /build/reproducible-path/mopac-23.0.3/tests and -1.49370334 on output line 451 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.27371739 on reference line 410 in /build/reproducible-path/mopac-23.0.3/tests and 0.26247075 on output line 452 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 3.11422137 on reference line 410 in /build/reproducible-path/mopac-23.0.3/tests and 3.11974233 on output line 452 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.13548835 on reference line 410 in /build/reproducible-path/mopac-23.0.3/tests and -1.12741944 on output line 452 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.73362283 on reference line 411 in /build/reproducible-path/mopac-23.0.3/tests and -1.74758308 on output line 453 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 3.81609528 on reference line 411 in /build/reproducible-path/mopac-23.0.3/tests and 3.8130074 on output line 453 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.67831486 on reference line 411 in /build/reproducible-path/mopac-23.0.3/tests and -1.67120383 on output line 453 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.5358667 on reference line 412 in /build/reproducible-path/mopac-23.0.3/tests and 0.53934664 on output line 454 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.35294005 on reference line 412 in /build/reproducible-path/mopac-23.0.3/tests and 0.35755286 on output line 454 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.54430006 on reference line 412 in /build/reproducible-path/mopac-23.0.3/tests and -0.54662257 on output line 454 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.33584851 on reference line 413 in /build/reproducible-path/mopac-23.0.3/tests and 1.34121731 on output line 455 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.61785947 on reference line 413 in /build/reproducible-path/mopac-23.0.3/tests and 0.61328822 on output line 455 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.57486784 on reference line 414 in /build/reproducible-path/mopac-23.0.3/tests and 1.57979216 on output line 456 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.37112909 on reference line 414 in /build/reproducible-path/mopac-23.0.3/tests and -1.37195941 on output line 456 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.81847858 on reference line 414 in /build/reproducible-path/mopac-23.0.3/tests and 0.80778698 on output line 456 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 2.68336068 on reference line 415 in /build/reproducible-path/mopac-23.0.3/tests and 2.68853083 on output line 457 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.76935628 on reference line 415 in /build/reproducible-path/mopac-23.0.3/tests and 0.76975937 on output line 457 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.4261294 on reference line 415 in /build/reproducible-path/mopac-23.0.3/tests and 0.42188484 on output line 457 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.73060349 on reference line 416 in /build/reproducible-path/mopac-23.0.3/tests and 0.73803458 on output line 458 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.661907 on reference line 416 in /build/reproducible-path/mopac-23.0.3/tests and 0.65738652 on output line 458 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.877465 on reference line 416 in /build/reproducible-path/mopac-23.0.3/tests and 1.87588815 on output line 458 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -2.83813135 on reference line 417 in /build/reproducible-path/mopac-23.0.3/tests and -2.58395733 on output line 459 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -2.68231128 on reference line 417 in /build/reproducible-path/mopac-23.0.3/tests and -2.82297521 on output line 459 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.48424696 on reference line 417 in /build/reproducible-path/mopac-23.0.3/tests and -1.51086798 on output line 459 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.99139435 on reference line 418 in /build/reproducible-path/mopac-23.0.3/tests and -2.16904876 on output line 460 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -3.68192697 on reference line 418 in /build/reproducible-path/mopac-23.0.3/tests and -3.70128446 on output line 460 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.28044258 on reference line 418 in /build/reproducible-path/mopac-23.0.3/tests and -0.01482189 on output line 460 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -3.54098093 on reference line 419 in /build/reproducible-path/mopac-23.0.3/tests and -3.65856353 on output line 461 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -2.92814342 on reference line 419 in /build/reproducible-path/mopac-23.0.3/tests and -2.74333969 on output line 461 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.13597889 on reference line 419 in /build/reproducible-path/mopac-23.0.3/tests and -0.09582568 on output line 461 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.32611074 on reference line 420 in /build/reproducible-path/mopac-23.0.3/tests and -1.32263101 on output line 462 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.88447283 on reference line 420 in /build/reproducible-path/mopac-23.0.3/tests and 0.87985625 on output line 462 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.44505802 on reference line 420 in /build/reproducible-path/mopac-23.0.3/tests and 0.44742711 on output line 462 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.00536182 on reference line 421 in /build/reproducible-path/mopac-23.0.3/tests and -1.00755603 on output line 463 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.05545018 on reference line 421 in /build/reproducible-path/mopac-23.0.3/tests and 1.05821046 on output line 463 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -2.6473519 on reference line 421 in /build/reproducible-path/mopac-23.0.3/tests and -2.64520086 on output line 463 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -2.50472859 on reference line 422 in /build/reproducible-path/mopac-23.0.3/tests and -2.50726709 on output line 464 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.35261396 on reference line 422 in /build/reproducible-path/mopac-23.0.3/tests and 1.34594198 on output line 464 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.76714801 on reference line 422 in /build/reproducible-path/mopac-23.0.3/tests and -1.76271235 on output line 464 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.98517326 on reference line 423 in /build/reproducible-path/mopac-23.0.3/tests and 0.98850415 on output line 465 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.07758771 on reference line 423 in /build/reproducible-path/mopac-23.0.3/tests and 0.08884845 on output line 465 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.48015972 on reference line 423 in /build/reproducible-path/mopac-23.0.3/tests and -1.48449118 on output line 465 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.79430531 on reference line 424 in /build/reproducible-path/mopac-23.0.3/tests and 0.7872662 on output line 466 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 2.2693865 on reference line 424 in /build/reproducible-path/mopac-23.0.3/tests and 2.27713081 on output line 466 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.9369799 on reference line 424 in /build/reproducible-path/mopac-23.0.3/tests and -0.93034938 on output line 466 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 2.25653234 on reference line 425 in /build/reproducible-path/mopac-23.0.3/tests and 2.26241111 on output line 467 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.56734258 on reference line 425 in /build/reproducible-path/mopac-23.0.3/tests and -1.57184543 on output line 467 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.65451787 on reference line 425 in /build/reproducible-path/mopac-23.0.3/tests and 1.64212711 on output line 467 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.6120327 on reference line 426 in /build/reproducible-path/mopac-23.0.3/tests and 0.61689662 on output line 468 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.87739345 on reference line 426 in /build/reproducible-path/mopac-23.0.3/tests and -1.87858194 on output line 468 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.02629055 on reference line 426 in /build/reproducible-path/mopac-23.0.3/tests and 1.01441898 on output line 468 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.98131316 on reference line 427 in /build/reproducible-path/mopac-23.0.3/tests and 1.98471672 on output line 469 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.81923007 on reference line 427 in /build/reproducible-path/mopac-23.0.3/tests and -1.81665353 on output line 469 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.10064983 on reference line 427 in /build/reproducible-path/mopac-23.0.3/tests and -0.11369286 on output line 469 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 3.34816329 on reference line 428 in /build/reproducible-path/mopac-23.0.3/tests and 3.35432255 on output line 470 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.58505225 on reference line 428 in /build/reproducible-path/mopac-23.0.3/tests and 0.58288054 on output line 470 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.28076405 on reference line 428 in /build/reproducible-path/mopac-23.0.3/tests and 1.27520018 on output line 470 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 3.16963 on reference line 429 in /build/reproducible-path/mopac-23.0.3/tests and 3.17372586 on output line 471 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.3926988 on reference line 429 in /build/reproducible-path/mopac-23.0.3/tests and 0.39570379 on output line 471 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.48857036 on reference line 429 in /build/reproducible-path/mopac-23.0.3/tests and -0.4944479 on output line 471 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 2.55662468 on reference line 430 in /build/reproducible-path/mopac-23.0.3/tests and 2.56175195 on output line 472 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.85992671 on reference line 430 in /build/reproducible-path/mopac-23.0.3/tests and 1.8606678 on output line 472 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.30372863 on reference line 430 in /build/reproducible-path/mopac-23.0.3/tests and 0.30276103 on output line 472 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.49054429 on reference line 431 in /build/reproducible-path/mopac-23.0.3/tests and 0.49687114 on output line 473 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.73219412 on reference line 431 in /build/reproducible-path/mopac-23.0.3/tests and 1.72784783 on output line 473 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.75442162 on reference line 431 in /build/reproducible-path/mopac-23.0.3/tests and 1.75676957 on output line 473 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.21695551 on reference line 432 in /build/reproducible-path/mopac-23.0.3/tests and -0.20869446 on output line 474 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.130312 on reference line 432 in /build/reproducible-path/mopac-23.0.3/tests and 0.12439978 on output line 474 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 2.11828049 on reference line 432 in /build/reproducible-path/mopac-23.0.3/tests and 2.11687825 on output line 474 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.40601706 on reference line 433 in /build/reproducible-path/mopac-23.0.3/tests and 1.41522084 on output line 475 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.54294822 on reference line 433 in /build/reproducible-path/mopac-23.0.3/tests and 0.53614126 on output line 475 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 2.7354817 on reference line 433 in /build/reproducible-path/mopac-23.0.3/tests and 2.73216934 on output line 475 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -2.599532711 on reference line 437 in /build/reproducible-path/mopac-23.0.3/tests and -2.60397376 on output line 479 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -2.775755262 on reference line 437 in /build/reproducible-path/mopac-23.0.3/tests and -2.773091357 on output line 479 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.414033476 on reference line 437 in /build/reproducible-path/mopac-23.0.3/tests and -0.411896273 on output line 479 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.876867044 on reference line 438 in /build/reproducible-path/mopac-23.0.3/tests and -1.87360695 on output line 480 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.577096858 on reference line 438 in /build/reproducible-path/mopac-23.0.3/tests and -1.5788082 on output line 480 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.113348029 on reference line 438 in /build/reproducible-path/mopac-23.0.3/tests and 0.114559898 on output line 480 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.571080805 on reference line 439 in /build/reproducible-path/mopac-23.0.3/tests and -1.569456273 on output line 481 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.403338838 on reference line 439 in /build/reproducible-path/mopac-23.0.3/tests and -1.403964993 on output line 481 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.275742279 on reference line 439 in /build/reproducible-path/mopac-23.0.3/tests and 1.277185463 on output line 481 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.603275776 on reference line 440 in /build/reproducible-path/mopac-23.0.3/tests and -1.595248955 on output line 482 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.714217106 on reference line 440 in /build/reproducible-path/mopac-23.0.3/tests and -0.718427585 on output line 482 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.858425666 on reference line 440 in /build/reproducible-path/mopac-23.0.3/tests and -0.858187489 on output line 482 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.896663428 on reference line 441 in /build/reproducible-path/mopac-23.0.3/tests and -0.893897758 on output line 483 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.545701046 on reference line 441 in /build/reproducible-path/mopac-23.0.3/tests and 0.544302173 on output line 483 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.523661208 on reference line 441 in /build/reproducible-path/mopac-23.0.3/tests and -0.522748089 on output line 483 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.399492042 on reference line 442 in /build/reproducible-path/mopac-23.0.3/tests and -1.402373508 on output line 484 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.434237348 on reference line 442 in /build/reproducible-path/mopac-23.0.3/tests and 1.432825004 on output line 484 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.68105693 on reference line 442 in /build/reproducible-path/mopac-23.0.3/tests and -1.677559271 on output line 484 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.005481052 on reference line 443 in /build/reproducible-path/mopac-23.0.3/tests and -1.015147618 on output line 485 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.499997236 on reference line 443 in /build/reproducible-path/mopac-23.0.3/tests and -1.493703336 on output line 485 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.273717388 on reference line 444 in /build/reproducible-path/mopac-23.0.3/tests and 0.262470746 on output line 486 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 3.114221371 on reference line 444 in /build/reproducible-path/mopac-23.0.3/tests and 3.119742331 on output line 486 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.135488352 on reference line 444 in /build/reproducible-path/mopac-23.0.3/tests and -1.127419442 on output line 486 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.733622831 on reference line 445 in /build/reproducible-path/mopac-23.0.3/tests and -1.747583077 on output line 487 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 3.816095283 on reference line 445 in /build/reproducible-path/mopac-23.0.3/tests and 3.8130074 on output line 487 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.678314861 on reference line 445 in /build/reproducible-path/mopac-23.0.3/tests and -1.671203828 on output line 487 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.535866704 on reference line 446 in /build/reproducible-path/mopac-23.0.3/tests and 0.53934664 on output line 488 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.35294005 on reference line 446 in /build/reproducible-path/mopac-23.0.3/tests and 0.357552856 on output line 488 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.544300056 on reference line 446 in /build/reproducible-path/mopac-23.0.3/tests and -0.546622574 on output line 488 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.335848505 on reference line 447 in /build/reproducible-path/mopac-23.0.3/tests and 1.341217305 on output line 489 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.617859472 on reference line 447 in /build/reproducible-path/mopac-23.0.3/tests and 0.613288223 on output line 489 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.574867837 on reference line 448 in /build/reproducible-path/mopac-23.0.3/tests and 1.579792163 on output line 490 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.371129093 on reference line 448 in /build/reproducible-path/mopac-23.0.3/tests and -1.371959411 on output line 490 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.818478582 on reference line 448 in /build/reproducible-path/mopac-23.0.3/tests and 0.807786977 on output line 490 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 2.683360684 on reference line 449 in /build/reproducible-path/mopac-23.0.3/tests and 2.688530833 on output line 491 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.76935628 on reference line 449 in /build/reproducible-path/mopac-23.0.3/tests and 0.769759375 on output line 491 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.426129397 on reference line 449 in /build/reproducible-path/mopac-23.0.3/tests and 0.42188484 on output line 491 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.730603491 on reference line 450 in /build/reproducible-path/mopac-23.0.3/tests and 0.73803458 on output line 492 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.661906999 on reference line 450 in /build/reproducible-path/mopac-23.0.3/tests and 0.657386523 on output line 492 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.877464999 on reference line 450 in /build/reproducible-path/mopac-23.0.3/tests and 1.875888152 on output line 492 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -2.838131354 on reference line 451 in /build/reproducible-path/mopac-23.0.3/tests and -2.583957331 on output line 493 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -2.682311282 on reference line 451 in /build/reproducible-path/mopac-23.0.3/tests and -2.822975212 on output line 493 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.48424696 on reference line 451 in /build/reproducible-path/mopac-23.0.3/tests and -1.510867983 on output line 493 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.991394346 on reference line 452 in /build/reproducible-path/mopac-23.0.3/tests and -2.169048757 on output line 494 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -3.681926971 on reference line 452 in /build/reproducible-path/mopac-23.0.3/tests and -3.701284463 on output line 494 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.280442585 on reference line 452 in /build/reproducible-path/mopac-23.0.3/tests and -0.014821891 on output line 494 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -3.540980929 on reference line 453 in /build/reproducible-path/mopac-23.0.3/tests and -3.658563532 on output line 495 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -2.928143419 on reference line 453 in /build/reproducible-path/mopac-23.0.3/tests and -2.743339688 on output line 495 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.135978891 on reference line 453 in /build/reproducible-path/mopac-23.0.3/tests and -0.095825681 on output line 495 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.326110741 on reference line 454 in /build/reproducible-path/mopac-23.0.3/tests and -1.322631007 on output line 496 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.884472829 on reference line 454 in /build/reproducible-path/mopac-23.0.3/tests and 0.879856251 on output line 496 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.445058023 on reference line 454 in /build/reproducible-path/mopac-23.0.3/tests and 0.447427111 on output line 496 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.005361818 on reference line 455 in /build/reproducible-path/mopac-23.0.3/tests and -1.007556033 on output line 497 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.055450177 on reference line 455 in /build/reproducible-path/mopac-23.0.3/tests and 1.058210457 on output line 497 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -2.647351904 on reference line 455 in /build/reproducible-path/mopac-23.0.3/tests and -2.645200855 on output line 497 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -2.50472859 on reference line 456 in /build/reproducible-path/mopac-23.0.3/tests and -2.507267095 on output line 498 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.35261396 on reference line 456 in /build/reproducible-path/mopac-23.0.3/tests and 1.345941979 on output line 498 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.767148015 on reference line 456 in /build/reproducible-path/mopac-23.0.3/tests and -1.762712353 on output line 498 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.985173262 on reference line 457 in /build/reproducible-path/mopac-23.0.3/tests and 0.988504153 on output line 499 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.077587708 on reference line 457 in /build/reproducible-path/mopac-23.0.3/tests and 0.088848451 on output line 499 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.480159718 on reference line 457 in /build/reproducible-path/mopac-23.0.3/tests and -1.484491183 on output line 499 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.79430531 on reference line 458 in /build/reproducible-path/mopac-23.0.3/tests and 0.787266197 on output line 500 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 2.269386496 on reference line 458 in /build/reproducible-path/mopac-23.0.3/tests and 2.277130806 on output line 500 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.936979899 on reference line 458 in /build/reproducible-path/mopac-23.0.3/tests and -0.93034938 on output line 500 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 2.256532345 on reference line 459 in /build/reproducible-path/mopac-23.0.3/tests and 2.262411106 on output line 501 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.567342575 on reference line 459 in /build/reproducible-path/mopac-23.0.3/tests and -1.571845432 on output line 501 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.654517874 on reference line 459 in /build/reproducible-path/mopac-23.0.3/tests and 1.642127114 on output line 501 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.612032697 on reference line 460 in /build/reproducible-path/mopac-23.0.3/tests and 0.616896625 on output line 502 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.877393446 on reference line 460 in /build/reproducible-path/mopac-23.0.3/tests and -1.878581941 on output line 502 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.026290549 on reference line 460 in /build/reproducible-path/mopac-23.0.3/tests and 1.014418983 on output line 502 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.981313156 on reference line 461 in /build/reproducible-path/mopac-23.0.3/tests and 1.984716721 on output line 503 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.819230069 on reference line 461 in /build/reproducible-path/mopac-23.0.3/tests and -1.816653534 on output line 503 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.100649828 on reference line 461 in /build/reproducible-path/mopac-23.0.3/tests and -0.113692859 on output line 503 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 3.348163288 on reference line 462 in /build/reproducible-path/mopac-23.0.3/tests and 3.354322547 on output line 504 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.585052253 on reference line 462 in /build/reproducible-path/mopac-23.0.3/tests and 0.582880539 on output line 504 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.280764055 on reference line 462 in /build/reproducible-path/mopac-23.0.3/tests and 1.275200183 on output line 504 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 3.169630004 on reference line 463 in /build/reproducible-path/mopac-23.0.3/tests and 3.17372586 on output line 505 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.392698797 on reference line 463 in /build/reproducible-path/mopac-23.0.3/tests and 0.395703794 on output line 505 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.488570355 on reference line 463 in /build/reproducible-path/mopac-23.0.3/tests and -0.494447904 on output line 505 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 2.55662468 on reference line 464 in /build/reproducible-path/mopac-23.0.3/tests and 2.561751953 on output line 506 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.859926715 on reference line 464 in /build/reproducible-path/mopac-23.0.3/tests and 1.860667804 on output line 506 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.303728634 on reference line 464 in /build/reproducible-path/mopac-23.0.3/tests and 0.302761029 on output line 506 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.490544291 on reference line 465 in /build/reproducible-path/mopac-23.0.3/tests and 0.49687114 on output line 507 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.732194119 on reference line 465 in /build/reproducible-path/mopac-23.0.3/tests and 1.727847829 on output line 507 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.754421617 on reference line 465 in /build/reproducible-path/mopac-23.0.3/tests and 1.756769572 on output line 507 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.216955506 on reference line 466 in /build/reproducible-path/mopac-23.0.3/tests and -0.208694456 on output line 508 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.130311996 on reference line 466 in /build/reproducible-path/mopac-23.0.3/tests and 0.124399783 on output line 508 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 2.118280491 on reference line 466 in /build/reproducible-path/mopac-23.0.3/tests and 2.11687825 on output line 508 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.40601706 on reference line 467 in /build/reproducible-path/mopac-23.0.3/tests and 1.415220839 on output line 509 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.54294822 on reference line 467 in /build/reproducible-path/mopac-23.0.3/tests and 0.536141264 on output line 509 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 2.735481703 on reference line 467 in /build/reproducible-path/mopac-23.0.3/tests and 2.732169338 on output line 509 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -37.75697 on reference line 478 in /build/reproducible-path/mopac-23.0.3/tests and -37.75721 on output line 520 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -30.86924 on reference line 478 in /build/reproducible-path/mopac-23.0.3/tests and -30.87018 on output line 520 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -30.67089 on reference line 478 in /build/reproducible-path/mopac-23.0.3/tests and -30.67026 on output line 520 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -29.6694 on reference line 478 in /build/reproducible-path/mopac-23.0.3/tests and -29.6687 on output line 520 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -29.29795 on reference line 478 in /build/reproducible-path/mopac-23.0.3/tests and -29.29707 on output line 520 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -27.58679 on reference line 478 in /build/reproducible-path/mopac-23.0.3/tests and -27.58712 on output line 520 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -26.05072 on reference line 478 in /build/reproducible-path/mopac-23.0.3/tests and -26.05091 on output line 520 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -25.77464 on reference line 478 in /build/reproducible-path/mopac-23.0.3/tests and -25.77525 on output line 520 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -25.61711 on reference line 479 in /build/reproducible-path/mopac-23.0.3/tests and -25.61618 on output line 521 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -24.55775 on reference line 479 in /build/reproducible-path/mopac-23.0.3/tests and -24.55688 on output line 521 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -22.91416 on reference line 479 in /build/reproducible-path/mopac-23.0.3/tests and -22.91302 on output line 521 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -20.80122 on reference line 479 in /build/reproducible-path/mopac-23.0.3/tests and -20.79851 on output line 521 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -19.85203 on reference line 479 in /build/reproducible-path/mopac-23.0.3/tests and -19.8523 on output line 521 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -19.56616 on reference line 479 in /build/reproducible-path/mopac-23.0.3/tests and -19.56874 on output line 521 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -17.92319 on reference line 479 in /build/reproducible-path/mopac-23.0.3/tests and -17.92057 on output line 521 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -17.56184 on reference line 479 in /build/reproducible-path/mopac-23.0.3/tests and -17.56305 on output line 521 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -17.4333 on reference line 480 in /build/reproducible-path/mopac-23.0.3/tests and -17.43241 on output line 522 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -17.11986 on reference line 480 in /build/reproducible-path/mopac-23.0.3/tests and -17.12203 on output line 522 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -16.24491 on reference line 480 in /build/reproducible-path/mopac-23.0.3/tests and -16.24406 on output line 522 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -15.92288 on reference line 480 in /build/reproducible-path/mopac-23.0.3/tests and -15.91028 on output line 522 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -15.667 on reference line 480 in /build/reproducible-path/mopac-23.0.3/tests and -15.67337 on output line 522 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -14.98423 on reference line 480 in /build/reproducible-path/mopac-23.0.3/tests and -14.98354 on output line 522 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -14.78592 on reference line 480 in /build/reproducible-path/mopac-23.0.3/tests and -14.78571 on output line 522 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -14.49058 on reference line 481 in /build/reproducible-path/mopac-23.0.3/tests and -14.49081 on output line 523 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -14.12013 on reference line 481 in /build/reproducible-path/mopac-23.0.3/tests and -14.12524 on output line 523 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -13.85112 on reference line 481 in /build/reproducible-path/mopac-23.0.3/tests and -13.84905 on output line 523 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -13.79769 on reference line 481 in /build/reproducible-path/mopac-23.0.3/tests and -13.79832 on output line 523 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -13.75418 on reference line 481 in /build/reproducible-path/mopac-23.0.3/tests and -13.75341 on output line 523 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -13.63189 on reference line 481 in /build/reproducible-path/mopac-23.0.3/tests and -13.63002 on output line 523 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -13.57891 on reference line 481 in /build/reproducible-path/mopac-23.0.3/tests and -13.58454 on output line 523 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -13.10785 on reference line 481 in /build/reproducible-path/mopac-23.0.3/tests and -13.10597 on output line 523 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -12.97628 on reference line 482 in /build/reproducible-path/mopac-23.0.3/tests and -12.97116 on output line 524 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -12.82584 on reference line 482 in /build/reproducible-path/mopac-23.0.3/tests and -12.82472 on output line 524 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -12.33938 on reference line 482 in /build/reproducible-path/mopac-23.0.3/tests and -12.34354 on output line 524 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -11.8686 on reference line 482 in /build/reproducible-path/mopac-23.0.3/tests and -11.86165 on output line 524 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -11.23451 on reference line 482 in /build/reproducible-path/mopac-23.0.3/tests and -11.23316 on output line 524 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -11.01702 on reference line 482 in /build/reproducible-path/mopac-23.0.3/tests and -11.01977 on output line 524 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -10.81164 on reference line 482 in /build/reproducible-path/mopac-23.0.3/tests and -10.81246 on output line 524 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -10.18538 on reference line 482 in /build/reproducible-path/mopac-23.0.3/tests and -10.18431 on output line 524 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.87642 on reference line 483 in /build/reproducible-path/mopac-23.0.3/tests and 0.87681 on output line 525 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.3593 on reference line 483 in /build/reproducible-path/mopac-23.0.3/tests and 1.35826 on output line 525 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.60339 on reference line 483 in /build/reproducible-path/mopac-23.0.3/tests and 1.60442 on output line 525 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.89346 on reference line 483 in /build/reproducible-path/mopac-23.0.3/tests and 1.89218 on output line 525 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 2.80006 on reference line 483 in /build/reproducible-path/mopac-23.0.3/tests and 2.80051 on output line 525 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 2.88294 on reference line 483 in /build/reproducible-path/mopac-23.0.3/tests and 2.88311 on output line 525 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 3.05225 on reference line 483 in /build/reproducible-path/mopac-23.0.3/tests and 3.05316 on output line 525 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 3.73982 on reference line 484 in /build/reproducible-path/mopac-23.0.3/tests and 3.73915 on output line 526 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 4.00024 on reference line 484 in /build/reproducible-path/mopac-23.0.3/tests and 4.0007 on output line 526 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 4.13259 on reference line 484 in /build/reproducible-path/mopac-23.0.3/tests and 4.13343 on output line 526 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 4.58897 on reference line 484 in /build/reproducible-path/mopac-23.0.3/tests and 4.58827 on output line 526 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 4.65321 on reference line 484 in /build/reproducible-path/mopac-23.0.3/tests and 4.65424 on output line 526 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 4.78596 on reference line 485 in /build/reproducible-path/mopac-23.0.3/tests and 4.78713 on output line 527 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 4.84147 on reference line 485 in /build/reproducible-path/mopac-23.0.3/tests and 4.84251 on output line 527 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 5.01234 on reference line 485 in /build/reproducible-path/mopac-23.0.3/tests and 5.01167 on output line 527 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 5.12206 on reference line 485 in /build/reproducible-path/mopac-23.0.3/tests and 5.12036 on output line 527 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 5.13122 on reference line 485 in /build/reproducible-path/mopac-23.0.3/tests and 5.13783 on output line 527 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 5.19133 on reference line 485 in /build/reproducible-path/mopac-23.0.3/tests and 5.19175 on output line 527 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 5.28406 on reference line 485 in /build/reproducible-path/mopac-23.0.3/tests and 5.28345 on output line 527 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 5.52496 on reference line 485 in /build/reproducible-path/mopac-23.0.3/tests and 5.52463 on output line 527 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 5.54899 on reference line 486 in /build/reproducible-path/mopac-23.0.3/tests and 5.54973 on output line 528 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 5.71059 on reference line 486 in /build/reproducible-path/mopac-23.0.3/tests and 5.71252 on output line 528 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 5.81068 on reference line 486 in /build/reproducible-path/mopac-23.0.3/tests and 5.81087 on output line 528 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 5.8292 on reference line 486 in /build/reproducible-path/mopac-23.0.3/tests and 5.82903 on output line 528 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 5.90607 on reference line 486 in /build/reproducible-path/mopac-23.0.3/tests and 5.90594 on output line 528 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 6.29771 on reference line 486 in /build/reproducible-path/mopac-23.0.3/tests and 6.29815 on output line 528 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 6.39742 on reference line 486 in /build/reproducible-path/mopac-23.0.3/tests and 6.39693 on output line 528 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 6.58301 on reference line 486 in /build/reproducible-path/mopac-23.0.3/tests and 6.58357 on output line 528 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.516152 on reference line 493 in /build/reproducible-path/mopac-23.0.3/tests and -0.516538 on output line 535 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 4.5162 on reference line 493 in /build/reproducible-path/mopac-23.0.3/tests and 4.5165 on output line 535 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 3.45453 on reference line 493 in /build/reproducible-path/mopac-23.0.3/tests and 3.4549 on output line 535 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.664588 on reference line 494 in /build/reproducible-path/mopac-23.0.3/tests and 0.664243 on output line 536 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 3.3354 on reference line 494 in /build/reproducible-path/mopac-23.0.3/tests and 3.3358 on output line 536 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 2.23109 on reference line 494 in /build/reproducible-path/mopac-23.0.3/tests and 2.23141 on output line 536 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.615107 on reference line 495 in /build/reproducible-path/mopac-23.0.3/tests and -0.61476 on output line 537 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 6.6151 on reference line 495 in /build/reproducible-path/mopac-23.0.3/tests and 6.6148 on output line 537 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 4.73831 on reference line 495 in /build/reproducible-path/mopac-23.0.3/tests and 4.73796 on output line 537 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.47906 on reference line 496 in /build/reproducible-path/mopac-23.0.3/tests and -0.479472 on output line 538 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 6.4791 on reference line 496 in /build/reproducible-path/mopac-23.0.3/tests and 6.4795 on output line 538 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 4.61147 on reference line 496 in /build/reproducible-path/mopac-23.0.3/tests and 4.61189 on output line 538 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.24763 on reference line 497 in /build/reproducible-path/mopac-23.0.3/tests and 0.247459 on output line 539 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 2.67417 on reference line 497 in /build/reproducible-path/mopac-23.0.3/tests and 2.67429 on output line 539 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.583573 on reference line 500 in /build/reproducible-path/mopac-23.0.3/tests and -0.583469 on output line 542 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.755243 on reference line 502 in /build/reproducible-path/mopac-23.0.3/tests and -0.75481 on output line 544 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 4.7552 on reference line 502 in /build/reproducible-path/mopac-23.0.3/tests and 4.7548 on output line 544 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.04316 on reference line 502 in /build/reproducible-path/mopac-23.0.3/tests and 1.04335 on output line 544 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 3.71208 on reference line 502 in /build/reproducible-path/mopac-23.0.3/tests and 3.71146 on output line 544 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.221733 on reference line 503 in /build/reproducible-path/mopac-23.0.3/tests and 0.221583 on output line 545 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 4.7783 on reference line 503 in /build/reproducible-path/mopac-23.0.3/tests and 4.7784 on output line 545 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 3.30753 on reference line 503 in /build/reproducible-path/mopac-23.0.3/tests and 3.30766 on output line 545 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.372262 on reference line 504 in /build/reproducible-path/mopac-23.0.3/tests and -0.372149 on output line 546 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 4.3723 on reference line 504 in /build/reproducible-path/mopac-23.0.3/tests and 4.3721 on output line 546 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 3.28776 on reference line 504 in /build/reproducible-path/mopac-23.0.3/tests and 3.28765 on output line 546 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.342573 on reference line 505 in /build/reproducible-path/mopac-23.0.3/tests and -0.34245 on output line 547 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.183542 on reference line 507 in /build/reproducible-path/mopac-23.0.3/tests and 0.182805 on output line 549 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.8165 on reference line 507 in /build/reproducible-path/mopac-23.0.3/tests and 0.8172 on output line 549 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.81646 on reference line 507 in /build/reproducible-path/mopac-23.0.3/tests and 0.81719 on output line 549 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.17701 on reference line 508 in /build/reproducible-path/mopac-23.0.3/tests and 0.177402 on output line 550 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.823 on reference line 508 in /build/reproducible-path/mopac-23.0.3/tests and 0.8226 on output line 550 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.82299 on reference line 508 in /build/reproducible-path/mopac-23.0.3/tests and 0.8226 on output line 550 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.184264 on reference line 509 in /build/reproducible-path/mopac-23.0.3/tests and 0.185098 on output line 551 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.8157 on reference line 509 in /build/reproducible-path/mopac-23.0.3/tests and 0.8149 on output line 551 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.81574 on reference line 509 in /build/reproducible-path/mopac-23.0.3/tests and 0.8149 on output line 551 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.166105 on reference line 517 in /build/reproducible-path/mopac-23.0.3/tests and 0.166248 on output line 559 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.8339 on reference line 517 in /build/reproducible-path/mopac-23.0.3/tests and 0.83375 on output line 559 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.822 on reference line 520 in /build/reproducible-path/mopac-23.0.3/tests and 0.8221 on output line 562 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 4.771 on reference line 525 in /build/reproducible-path/mopac-23.0.3/tests and 4.778 on output line 567 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -5.424 on reference line 525 in /build/reproducible-path/mopac-23.0.3/tests and -5.416 on output line 567 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 2.478 on reference line 525 in /build/reproducible-path/mopac-23.0.3/tests and 2.458 on output line 567 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 7.637 on reference line 525 in /build/reproducible-path/mopac-23.0.3/tests and 7.629 on output line 567 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.334 on reference line 526 in /build/reproducible-path/mopac-23.0.3/tests and 0.317 on output line 568 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.706 on reference line 526 in /build/reproducible-path/mopac-23.0.3/tests and -0.697 on output line 568 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.199 on reference line 526 in /build/reproducible-path/mopac-23.0.3/tests and 0.197 on output line 568 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.807 on reference line 526 in /build/reproducible-path/mopac-23.0.3/tests and 0.791 on output line 568 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 5.106 on reference line 527 in /build/reproducible-path/mopac-23.0.3/tests and 5.094 on output line 569 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -6.131 on reference line 527 in /build/reproducible-path/mopac-23.0.3/tests and -6.113 on output line 569 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 2.677 on reference line 527 in /build/reproducible-path/mopac-23.0.3/tests and 2.654 on output line 569 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 8.416 on reference line 527 in /build/reproducible-path/mopac-23.0.3/tests and 8.389 on output line 569 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.16563 on reference line 533 in /build/reproducible-path/mopac-23.0.3/tests and 1.16491 on output line 575 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.09826 on reference line 533 in /build/reproducible-path/mopac-23.0.3/tests and 1.10025 on output line 575 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.19064 on reference line 533 in /build/reproducible-path/mopac-23.0.3/tests and 1.18973 on output line 575 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.68583 on reference line 534 in /build/reproducible-path/mopac-23.0.3/tests and 0.68633 on output line 576 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.7836 on reference line 534 in /build/reproducible-path/mopac-23.0.3/tests and 0.78329 on output line 576 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.76166 on reference line 534 in /build/reproducible-path/mopac-23.0.3/tests and 0.76179 on output line 576 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.61161 on reference line 535 in /build/reproducible-path/mopac-23.0.3/tests and 1.61187 on output line 577 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.80564 on reference line 535 in /build/reproducible-path/mopac-23.0.3/tests and 1.80508 on output line 577 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.70983 on reference line 536 in /build/reproducible-path/mopac-23.0.3/tests and 1.71101 on output line 578 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.48323 on reference line 536 in /build/reproducible-path/mopac-23.0.3/tests and 1.48254 on output line 578 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.9148 on reference line 537 in /build/reproducible-path/mopac-23.0.3/tests and 0.9155 on output line 579 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.75545 on reference line 537 in /build/reproducible-path/mopac-23.0.3/tests and 0.75456 on output line 579 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.00391 on reference line 537 in /build/reproducible-path/mopac-23.0.3/tests and 1.00423 on output line 579 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.03671 on reference line 538 in /build/reproducible-path/mopac-23.0.3/tests and 1.03647 on output line 580 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.13301 on reference line 538 in /build/reproducible-path/mopac-23.0.3/tests and 1.1332 on output line 580 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.38411 on reference line 540 in /build/reproducible-path/mopac-23.0.3/tests and 1.38394 on output line 582 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.54063 on reference line 540 in /build/reproducible-path/mopac-23.0.3/tests and 1.54089 on output line 582 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.81829 on reference line 540 in /build/reproducible-path/mopac-23.0.3/tests and 1.81811 on output line 582 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.58 on reference line 541 in /build/reproducible-path/mopac-23.0.3/tests and 1.57714 on output line 583 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.50414 on reference line 541 in /build/reproducible-path/mopac-23.0.3/tests and 1.50667 on output line 583 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.51517 on reference line 541 in /build/reproducible-path/mopac-23.0.3/tests and 1.51553 on output line 583 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.04316 on reference line 542 in /build/reproducible-path/mopac-23.0.3/tests and 1.04335 on output line 584 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.02757 on reference line 542 in /build/reproducible-path/mopac-23.0.3/tests and 1.02575 on output line 584 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.74638 on reference line 542 in /build/reproducible-path/mopac-23.0.3/tests and 1.74692 on output line 584 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.93813 on reference line 542 in /build/reproducible-path/mopac-23.0.3/tests and 0.93879 on output line 584 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.9083 on reference line 544 in /build/reproducible-path/mopac-23.0.3/tests and 0.9078 on output line 586 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.17477 on reference line 544 in /build/reproducible-path/mopac-23.0.3/tests and 1.17521 on output line 586 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.14334 on reference line 545 in /build/reproducible-path/mopac-23.0.3/tests and 1.14323 on output line 587 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.16591 on reference line 546 in /build/reproducible-path/mopac-23.0.3/tests and 1.16618 on output line 588 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.16678 on reference line 546 in /build/reproducible-path/mopac-23.0.3/tests and 1.16763 on output line 588 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.94759 on reference line 546 in /build/reproducible-path/mopac-23.0.3/tests and 0.94653 on output line 588 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.81646 on reference line 547 in /build/reproducible-path/mopac-23.0.3/tests and 0.81719 on output line 589 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.82299 on reference line 548 in /build/reproducible-path/mopac-23.0.3/tests and 0.8226 on output line 590 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.81574 on reference line 549 in /build/reproducible-path/mopac-23.0.3/tests and 0.8149 on output line 591 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.8339 on reference line 557 in /build/reproducible-path/mopac-23.0.3/tests and 0.83375 on output line 599 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.325 on reference line 567 in /build/reproducible-path/mopac-23.0.3/tests and -1.328 on output line 609 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -5.579 on reference line 567 in /build/reproducible-path/mopac-23.0.3/tests and -5.578 on output line 609 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -6.903 on reference line 567 in /build/reproducible-path/mopac-23.0.3/tests and -6.906 on output line 609 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -4054.5015 on reference line 576 in /build/reproducible-path/mopac-23.0.3/tests and -4054.5178 on output line 618 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1748.4397 on reference line 577 in /build/reproducible-path/mopac-23.0.3/tests and 1748.45 on output line 619 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -2306.0618 on reference line 579 in /build/reproducible-path/mopac-23.0.3/tests and -2306.0678 on output line 621 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 13473.4859 on reference line 588 in /build/reproducible-path/mopac-23.0.3/tests and 13472.0371 on output line 630 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -27163.3213 on reference line 589 in /build/reproducible-path/mopac-23.0.3/tests and -27160.401 on output line 631 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 13847.8465 on reference line 590 in /build/reproducible-path/mopac-23.0.3/tests and 13846.3804 on output line 632 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 158.0111 on reference line 592 in /build/reproducible-path/mopac-23.0.3/tests and 158.0165 on output line 634 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -396.0574 on reference line 594 in /build/reproducible-path/mopac-23.0.3/tests and -396.0519 on output line 636 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -2702.1191 on reference line 596 in /build/reproducible-path/mopac-23.0.3/tests and -2702.1197 on output line 638 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -119/124 Test #27: erratic-1 ........................ Passed 19.97 sec +115/124 Test #82: key-CISDT ........................ Passed 3.18 sec +21: +21: +21: MOPAC Job: "Compare_PDB_Bacteriorhodopsin_1AP9_and_1AT9.mop" ended normally on Mar 23, 2026, at 10:29. +21: +116/124 Test #21: pdb_compare6 ..................... Passed 2.36 sec +30: Passed API test 10 +117/124 Test #30: mopac-api-test ................... Passed 5.62 sec +28: +28: +28: MOPAC Job: "erratic2.mop" ended normally on Mar 23, 2026, at 10:29. +28: +118/124 Test #28: erratic-2 ........................ Passed 5.80 sec 60: 60: -60: MOPAC Job: "poly_c8_mr.mop" ended normally on Feb 17, 2025, at 02:04. +60: MOPAC Job: "poly_c8_mr.mop" ended normally on Mar 23, 2026, at 10:29. 60: -120/124 Test #60: poly_c8_mr ....................... Passed 22.18 sec +119/124 Test #60: poly_c8_mr ....................... Passed 6.11 sec +27: +27: +27: MOPAC Job: "erratic1.mop" ended normally on Mar 23, 2026, at 10:29. +27: +27: WARNING: numerical heat mismatch between -167.66206 on reference line 360 in /build/reproducible-path/mopac-23.0.3/tests and -167.67832 on output line 401 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -701.49806 on reference line 360 in /build/reproducible-path/mopac-23.0.3/tests and -701.56609 on output line 401 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -62312.34782 on reference line 362 in /build/reproducible-path/mopac-23.0.3/tests and -62312.35844 on output line 403 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -160.75863 on reference line 364 in /build/reproducible-path/mopac-23.0.3/tests and -160.76925 on output line 405 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -5.57884 on reference line 365 in /build/reproducible-path/mopac-23.0.3/tests and -5.57804 on output line 406 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.32459 on reference line 366 in /build/reproducible-path/mopac-23.0.3/tests and -1.33103 on output line 407 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -167.66206 on reference line 367 in /build/reproducible-path/mopac-23.0.3/tests and -167.67832 on output line 408 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -2702.11915 on reference line 372 in /build/reproducible-path/mopac-23.0.3/tests and -2702.11961 on output line 413 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -16549.96563 on reference line 373 in /build/reproducible-path/mopac-23.0.3/tests and -16547.82611 on output line 414 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 13847.84648 on reference line 374 in /build/reproducible-path/mopac-23.0.3/tests and 13845.7065 on output line 415 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 230.06 on reference line 375 in /build/reproducible-path/mopac-23.0.3/tests and 230.17 on output line 416 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 254.54 on reference line 376 in /build/reproducible-path/mopac-23.0.3/tests and 254.61 on output line 417 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 8.208041 on reference line 379 in /build/reproducible-path/mopac-23.0.3/tests and 8.20866 on output line 420 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -8.208 on reference line 380 in /build/reproducible-path/mopac-23.0.3/tests and -8.209 on output line 421 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -2.59953271 on reference line 403 in /build/reproducible-path/mopac-23.0.3/tests and -2.60486101 on output line 444 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -2.77575526 on reference line 403 in /build/reproducible-path/mopac-23.0.3/tests and -2.77212583 on output line 444 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.41403348 on reference line 403 in /build/reproducible-path/mopac-23.0.3/tests and -0.41129563 on output line 444 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.87686704 on reference line 404 in /build/reproducible-path/mopac-23.0.3/tests and -1.87312827 on output line 445 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.57709686 on reference line 404 in /build/reproducible-path/mopac-23.0.3/tests and -1.57864691 on output line 445 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.11334803 on reference line 404 in /build/reproducible-path/mopac-23.0.3/tests and 0.11507502 on output line 445 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.5710808 on reference line 405 in /build/reproducible-path/mopac-23.0.3/tests and -1.57096295 on output line 446 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.40333884 on reference line 405 in /build/reproducible-path/mopac-23.0.3/tests and -1.40238359 on output line 446 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.27574228 on reference line 405 in /build/reproducible-path/mopac-23.0.3/tests and 1.27798819 on output line 446 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.60327578 on reference line 406 in /build/reproducible-path/mopac-23.0.3/tests and -1.591497 on output line 447 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.71421711 on reference line 406 in /build/reproducible-path/mopac-23.0.3/tests and -0.72010469 on output line 447 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.89666343 on reference line 407 in /build/reproducible-path/mopac-23.0.3/tests and -0.89230573 on output line 448 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.54570105 on reference line 407 in /build/reproducible-path/mopac-23.0.3/tests and 0.5438029 on output line 448 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.52366121 on reference line 407 in /build/reproducible-path/mopac-23.0.3/tests and -0.52282247 on output line 448 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.39949204 on reference line 408 in /build/reproducible-path/mopac-23.0.3/tests and -1.40253401 on output line 449 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.43423735 on reference line 408 in /build/reproducible-path/mopac-23.0.3/tests and 1.43192959 on output line 449 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.68105693 on reference line 408 in /build/reproducible-path/mopac-23.0.3/tests and -1.67711508 on output line 449 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.00548105 on reference line 409 in /build/reproducible-path/mopac-23.0.3/tests and -1.01916177 on output line 450 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.49999724 on reference line 409 in /build/reproducible-path/mopac-23.0.3/tests and -1.49199839 on output line 450 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.27371739 on reference line 410 in /build/reproducible-path/mopac-23.0.3/tests and 0.25666347 on output line 451 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 3.11422137 on reference line 410 in /build/reproducible-path/mopac-23.0.3/tests and 3.12272151 on output line 451 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.13548835 on reference line 410 in /build/reproducible-path/mopac-23.0.3/tests and -1.12151934 on output line 451 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.73362283 on reference line 411 in /build/reproducible-path/mopac-23.0.3/tests and -1.75325368 on output line 452 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 3.81609528 on reference line 411 in /build/reproducible-path/mopac-23.0.3/tests and 3.81124597 on output line 452 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.67831486 on reference line 411 in /build/reproducible-path/mopac-23.0.3/tests and -1.67177337 on output line 452 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.5358667 on reference line 412 in /build/reproducible-path/mopac-23.0.3/tests and 0.54123505 on output line 453 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.35294005 on reference line 412 in /build/reproducible-path/mopac-23.0.3/tests and 0.35950373 on output line 453 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.54430006 on reference line 412 in /build/reproducible-path/mopac-23.0.3/tests and -0.54734287 on output line 453 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.33584851 on reference line 413 in /build/reproducible-path/mopac-23.0.3/tests and 1.34329118 on output line 454 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.10823064 on reference line 413 in /build/reproducible-path/mopac-23.0.3/tests and 0.10805699 on output line 454 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.61785947 on reference line 413 in /build/reproducible-path/mopac-23.0.3/tests and 0.61197787 on output line 454 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.57486784 on reference line 414 in /build/reproducible-path/mopac-23.0.3/tests and 1.57963155 on output line 455 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.37112909 on reference line 414 in /build/reproducible-path/mopac-23.0.3/tests and -1.37269259 on output line 455 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.81847858 on reference line 414 in /build/reproducible-path/mopac-23.0.3/tests and 0.80529508 on output line 455 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 2.68336068 on reference line 415 in /build/reproducible-path/mopac-23.0.3/tests and 2.69151674 on output line 456 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.76935628 on reference line 415 in /build/reproducible-path/mopac-23.0.3/tests and 0.76756866 on output line 456 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.4261294 on reference line 415 in /build/reproducible-path/mopac-23.0.3/tests and 0.42044251 on output line 456 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.73060349 on reference line 416 in /build/reproducible-path/mopac-23.0.3/tests and 0.7413287 on output line 457 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.661907 on reference line 416 in /build/reproducible-path/mopac-23.0.3/tests and 0.65722388 on output line 457 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.877465 on reference line 416 in /build/reproducible-path/mopac-23.0.3/tests and 1.87515262 on output line 457 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -2.83813135 on reference line 417 in /build/reproducible-path/mopac-23.0.3/tests and -2.5225078 on output line 458 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -2.68231128 on reference line 417 in /build/reproducible-path/mopac-23.0.3/tests and -2.86183715 on output line 458 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.48424696 on reference line 417 in /build/reproducible-path/mopac-23.0.3/tests and -1.50474058 on output line 458 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.99139435 on reference line 418 in /build/reproducible-path/mopac-23.0.3/tests and -2.22152825 on output line 459 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -3.68192697 on reference line 418 in /build/reproducible-path/mopac-23.0.3/tests and -3.69647065 on output line 459 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.28044258 on reference line 418 in /build/reproducible-path/mopac-23.0.3/tests and 0.04361332 on output line 459 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -3.54098093 on reference line 419 in /build/reproducible-path/mopac-23.0.3/tests and -3.67523585 on output line 460 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -2.92814342 on reference line 419 in /build/reproducible-path/mopac-23.0.3/tests and -2.70198946 on output line 460 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.13597889 on reference line 419 in /build/reproducible-path/mopac-23.0.3/tests and -0.16141263 on output line 460 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.32611074 on reference line 420 in /build/reproducible-path/mopac-23.0.3/tests and -1.32109151 on output line 461 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.88447283 on reference line 420 in /build/reproducible-path/mopac-23.0.3/tests and 0.87843888 on output line 461 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.44505802 on reference line 420 in /build/reproducible-path/mopac-23.0.3/tests and 0.44766995 on output line 461 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.00536182 on reference line 421 in /build/reproducible-path/mopac-23.0.3/tests and -1.00639054 on output line 462 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.05545018 on reference line 421 in /build/reproducible-path/mopac-23.0.3/tests and 1.05911408 on output line 462 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -2.6473519 on reference line 421 in /build/reproducible-path/mopac-23.0.3/tests and -2.64491991 on output line 462 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -2.50472859 on reference line 422 in /build/reproducible-path/mopac-23.0.3/tests and -2.50715452 on output line 463 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.35261396 on reference line 422 in /build/reproducible-path/mopac-23.0.3/tests and 1.34222023 on output line 463 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.76714801 on reference line 422 in /build/reproducible-path/mopac-23.0.3/tests and -1.76289563 on output line 463 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.98517326 on reference line 423 in /build/reproducible-path/mopac-23.0.3/tests and 0.99082155 on output line 464 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.07758771 on reference line 423 in /build/reproducible-path/mopac-23.0.3/tests and 0.09395713 on output line 464 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.48015972 on reference line 423 in /build/reproducible-path/mopac-23.0.3/tests and -1.4858919 on output line 464 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.79430531 on reference line 424 in /build/reproducible-path/mopac-23.0.3/tests and 0.78343568 on output line 465 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 2.2693865 on reference line 424 in /build/reproducible-path/mopac-23.0.3/tests and 2.28136329 on output line 465 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.9369799 on reference line 424 in /build/reproducible-path/mopac-23.0.3/tests and -0.92444532 on output line 465 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 2.25653234 on reference line 425 in /build/reproducible-path/mopac-23.0.3/tests and 2.26275511 on output line 466 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.56734258 on reference line 425 in /build/reproducible-path/mopac-23.0.3/tests and -1.57428223 on output line 466 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.65451787 on reference line 425 in /build/reproducible-path/mopac-23.0.3/tests and 1.63880275 on output line 466 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.6120327 on reference line 426 in /build/reproducible-path/mopac-23.0.3/tests and 0.6161607 on output line 467 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.87739345 on reference line 426 in /build/reproducible-path/mopac-23.0.3/tests and -1.87794034 on output line 467 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.02629055 on reference line 426 in /build/reproducible-path/mopac-23.0.3/tests and 1.01254473 on output line 467 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.98131316 on reference line 427 in /build/reproducible-path/mopac-23.0.3/tests and 1.98279538 on output line 468 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.81923007 on reference line 427 in /build/reproducible-path/mopac-23.0.3/tests and -1.81743047 on output line 468 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.10064983 on reference line 427 in /build/reproducible-path/mopac-23.0.3/tests and -0.11695607 on output line 468 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 3.34816329 on reference line 428 in /build/reproducible-path/mopac-23.0.3/tests and 3.35712539 on output line 469 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.58505225 on reference line 428 in /build/reproducible-path/mopac-23.0.3/tests and 0.57967719 on output line 469 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.28076405 on reference line 428 in /build/reproducible-path/mopac-23.0.3/tests and 1.27368446 on output line 469 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 3.16963 on reference line 429 in /build/reproducible-path/mopac-23.0.3/tests and 3.17610664 on output line 470 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.3926988 on reference line 429 in /build/reproducible-path/mopac-23.0.3/tests and 0.39280493 on output line 470 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.48857036 on reference line 429 in /build/reproducible-path/mopac-23.0.3/tests and -0.49594682 on output line 470 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 2.55662468 on reference line 430 in /build/reproducible-path/mopac-23.0.3/tests and 2.56631099 on output line 471 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.85992671 on reference line 430 in /build/reproducible-path/mopac-23.0.3/tests and 1.85863142 on output line 471 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.30372863 on reference line 430 in /build/reproducible-path/mopac-23.0.3/tests and 0.30126608 on output line 471 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.49054429 on reference line 431 in /build/reproducible-path/mopac-23.0.3/tests and 0.50135369 on output line 472 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.73219412 on reference line 431 in /build/reproducible-path/mopac-23.0.3/tests and 1.72803714 on output line 472 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.75442162 on reference line 431 in /build/reproducible-path/mopac-23.0.3/tests and 1.75664326 on output line 472 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.21695551 on reference line 432 in /build/reproducible-path/mopac-23.0.3/tests and -0.20595491 on output line 473 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.130312 on reference line 432 in /build/reproducible-path/mopac-23.0.3/tests and 0.12527871 on output line 473 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 2.11828049 on reference line 432 in /build/reproducible-path/mopac-23.0.3/tests and 2.11625773 on output line 473 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.40601706 on reference line 433 in /build/reproducible-path/mopac-23.0.3/tests and 1.41870297 on output line 474 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.54294822 on reference line 433 in /build/reproducible-path/mopac-23.0.3/tests and 0.5346921 on output line 474 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 2.7354817 on reference line 433 in /build/reproducible-path/mopac-23.0.3/tests and 2.7310947 on output line 474 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -2.599532711 on reference line 437 in /build/reproducible-path/mopac-23.0.3/tests and -2.604861012 on output line 478 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -2.775755262 on reference line 437 in /build/reproducible-path/mopac-23.0.3/tests and -2.772125828 on output line 478 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.414033476 on reference line 437 in /build/reproducible-path/mopac-23.0.3/tests and -0.411295633 on output line 478 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.876867044 on reference line 438 in /build/reproducible-path/mopac-23.0.3/tests and -1.873128268 on output line 479 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.577096858 on reference line 438 in /build/reproducible-path/mopac-23.0.3/tests and -1.57864691 on output line 479 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.113348029 on reference line 438 in /build/reproducible-path/mopac-23.0.3/tests and 0.11507502 on output line 479 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.571080805 on reference line 439 in /build/reproducible-path/mopac-23.0.3/tests and -1.570962949 on output line 480 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.403338838 on reference line 439 in /build/reproducible-path/mopac-23.0.3/tests and -1.402383594 on output line 480 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.275742279 on reference line 439 in /build/reproducible-path/mopac-23.0.3/tests and 1.277988186 on output line 480 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.603275776 on reference line 440 in /build/reproducible-path/mopac-23.0.3/tests and -1.591497003 on output line 481 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.714217106 on reference line 440 in /build/reproducible-path/mopac-23.0.3/tests and -0.720104688 on output line 481 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.896663428 on reference line 441 in /build/reproducible-path/mopac-23.0.3/tests and -0.892305733 on output line 482 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.545701046 on reference line 441 in /build/reproducible-path/mopac-23.0.3/tests and 0.543802897 on output line 482 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.523661208 on reference line 441 in /build/reproducible-path/mopac-23.0.3/tests and -0.522822472 on output line 482 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.399492042 on reference line 442 in /build/reproducible-path/mopac-23.0.3/tests and -1.402534007 on output line 483 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.434237348 on reference line 442 in /build/reproducible-path/mopac-23.0.3/tests and 1.431929587 on output line 483 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.68105693 on reference line 442 in /build/reproducible-path/mopac-23.0.3/tests and -1.677115081 on output line 483 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.005481052 on reference line 443 in /build/reproducible-path/mopac-23.0.3/tests and -1.019161772 on output line 484 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.499997236 on reference line 443 in /build/reproducible-path/mopac-23.0.3/tests and -1.491998395 on output line 484 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.273717388 on reference line 444 in /build/reproducible-path/mopac-23.0.3/tests and 0.256663467 on output line 485 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 3.114221371 on reference line 444 in /build/reproducible-path/mopac-23.0.3/tests and 3.122721506 on output line 485 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.135488352 on reference line 444 in /build/reproducible-path/mopac-23.0.3/tests and -1.121519344 on output line 485 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.733622831 on reference line 445 in /build/reproducible-path/mopac-23.0.3/tests and -1.753253676 on output line 486 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 3.816095283 on reference line 445 in /build/reproducible-path/mopac-23.0.3/tests and 3.811245967 on output line 486 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.678314861 on reference line 445 in /build/reproducible-path/mopac-23.0.3/tests and -1.671773375 on output line 486 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.535866704 on reference line 446 in /build/reproducible-path/mopac-23.0.3/tests and 0.54123505 on output line 487 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.35294005 on reference line 446 in /build/reproducible-path/mopac-23.0.3/tests and 0.359503734 on output line 487 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.544300056 on reference line 446 in /build/reproducible-path/mopac-23.0.3/tests and -0.547342872 on output line 487 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.335848505 on reference line 447 in /build/reproducible-path/mopac-23.0.3/tests and 1.343291177 on output line 488 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.108230641 on reference line 447 in /build/reproducible-path/mopac-23.0.3/tests and 0.108056991 on output line 488 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.617859472 on reference line 447 in /build/reproducible-path/mopac-23.0.3/tests and 0.611977875 on output line 488 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.574867837 on reference line 448 in /build/reproducible-path/mopac-23.0.3/tests and 1.579631553 on output line 489 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.371129093 on reference line 448 in /build/reproducible-path/mopac-23.0.3/tests and -1.37269259 on output line 489 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.818478582 on reference line 448 in /build/reproducible-path/mopac-23.0.3/tests and 0.805295078 on output line 489 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 2.683360684 on reference line 449 in /build/reproducible-path/mopac-23.0.3/tests and 2.691516736 on output line 490 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.76935628 on reference line 449 in /build/reproducible-path/mopac-23.0.3/tests and 0.767568663 on output line 490 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.426129397 on reference line 449 in /build/reproducible-path/mopac-23.0.3/tests and 0.420442514 on output line 490 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.730603491 on reference line 450 in /build/reproducible-path/mopac-23.0.3/tests and 0.741328703 on output line 491 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.661906999 on reference line 450 in /build/reproducible-path/mopac-23.0.3/tests and 0.657223879 on output line 491 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.877464999 on reference line 450 in /build/reproducible-path/mopac-23.0.3/tests and 1.875152617 on output line 491 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -2.838131354 on reference line 451 in /build/reproducible-path/mopac-23.0.3/tests and -2.522507796 on output line 492 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -2.682311282 on reference line 451 in /build/reproducible-path/mopac-23.0.3/tests and -2.861837148 on output line 492 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.48424696 on reference line 451 in /build/reproducible-path/mopac-23.0.3/tests and -1.504740577 on output line 492 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.991394346 on reference line 452 in /build/reproducible-path/mopac-23.0.3/tests and -2.221528246 on output line 493 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -3.681926971 on reference line 452 in /build/reproducible-path/mopac-23.0.3/tests and -3.696470645 on output line 493 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.280442585 on reference line 452 in /build/reproducible-path/mopac-23.0.3/tests and 0.043613322 on output line 493 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -3.540980929 on reference line 453 in /build/reproducible-path/mopac-23.0.3/tests and -3.675235853 on output line 494 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -2.928143419 on reference line 453 in /build/reproducible-path/mopac-23.0.3/tests and -2.701989464 on output line 494 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.135978891 on reference line 453 in /build/reproducible-path/mopac-23.0.3/tests and -0.161412626 on output line 494 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.326110741 on reference line 454 in /build/reproducible-path/mopac-23.0.3/tests and -1.321091508 on output line 495 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.884472829 on reference line 454 in /build/reproducible-path/mopac-23.0.3/tests and 0.878438881 on output line 495 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.445058023 on reference line 454 in /build/reproducible-path/mopac-23.0.3/tests and 0.447669953 on output line 495 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.005361818 on reference line 455 in /build/reproducible-path/mopac-23.0.3/tests and -1.006390539 on output line 496 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.055450177 on reference line 455 in /build/reproducible-path/mopac-23.0.3/tests and 1.059114079 on output line 496 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -2.647351904 on reference line 455 in /build/reproducible-path/mopac-23.0.3/tests and -2.644919914 on output line 496 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -2.50472859 on reference line 456 in /build/reproducible-path/mopac-23.0.3/tests and -2.507154517 on output line 497 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.35261396 on reference line 456 in /build/reproducible-path/mopac-23.0.3/tests and 1.342220228 on output line 497 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.767148015 on reference line 456 in /build/reproducible-path/mopac-23.0.3/tests and -1.762895633 on output line 497 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.985173262 on reference line 457 in /build/reproducible-path/mopac-23.0.3/tests and 0.990821551 on output line 498 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.077587708 on reference line 457 in /build/reproducible-path/mopac-23.0.3/tests and 0.093957126 on output line 498 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.480159718 on reference line 457 in /build/reproducible-path/mopac-23.0.3/tests and -1.485891902 on output line 498 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.79430531 on reference line 458 in /build/reproducible-path/mopac-23.0.3/tests and 0.783435684 on output line 499 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 2.269386496 on reference line 458 in /build/reproducible-path/mopac-23.0.3/tests and 2.281363295 on output line 499 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.936979899 on reference line 458 in /build/reproducible-path/mopac-23.0.3/tests and -0.924445321 on output line 499 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 2.256532345 on reference line 459 in /build/reproducible-path/mopac-23.0.3/tests and 2.262755115 on output line 500 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.567342575 on reference line 459 in /build/reproducible-path/mopac-23.0.3/tests and -1.574282234 on output line 500 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.654517874 on reference line 459 in /build/reproducible-path/mopac-23.0.3/tests and 1.63880275 on output line 500 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.612032697 on reference line 460 in /build/reproducible-path/mopac-23.0.3/tests and 0.616160702 on output line 501 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.877393446 on reference line 460 in /build/reproducible-path/mopac-23.0.3/tests and -1.877940336 on output line 501 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.026290549 on reference line 460 in /build/reproducible-path/mopac-23.0.3/tests and 1.012544732 on output line 501 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.981313156 on reference line 461 in /build/reproducible-path/mopac-23.0.3/tests and 1.982795381 on output line 502 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.819230069 on reference line 461 in /build/reproducible-path/mopac-23.0.3/tests and -1.817430474 on output line 502 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.100649828 on reference line 461 in /build/reproducible-path/mopac-23.0.3/tests and -0.116956066 on output line 502 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 3.348163288 on reference line 462 in /build/reproducible-path/mopac-23.0.3/tests and 3.357125388 on output line 503 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.585052253 on reference line 462 in /build/reproducible-path/mopac-23.0.3/tests and 0.579677189 on output line 503 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.280764055 on reference line 462 in /build/reproducible-path/mopac-23.0.3/tests and 1.273684461 on output line 503 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 3.169630004 on reference line 463 in /build/reproducible-path/mopac-23.0.3/tests and 3.176106635 on output line 504 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.392698797 on reference line 463 in /build/reproducible-path/mopac-23.0.3/tests and 0.392804928 on output line 504 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.488570355 on reference line 463 in /build/reproducible-path/mopac-23.0.3/tests and -0.495946818 on output line 504 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 2.55662468 on reference line 464 in /build/reproducible-path/mopac-23.0.3/tests and 2.566310995 on output line 505 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.859926715 on reference line 464 in /build/reproducible-path/mopac-23.0.3/tests and 1.858631422 on output line 505 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.303728634 on reference line 464 in /build/reproducible-path/mopac-23.0.3/tests and 0.301266083 on output line 505 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.490544291 on reference line 465 in /build/reproducible-path/mopac-23.0.3/tests and 0.50135369 on output line 506 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.732194119 on reference line 465 in /build/reproducible-path/mopac-23.0.3/tests and 1.728037138 on output line 506 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.754421617 on reference line 465 in /build/reproducible-path/mopac-23.0.3/tests and 1.756643263 on output line 506 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.216955506 on reference line 466 in /build/reproducible-path/mopac-23.0.3/tests and -0.205954911 on output line 507 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.130311996 on reference line 466 in /build/reproducible-path/mopac-23.0.3/tests and 0.125278713 on output line 507 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 2.118280491 on reference line 466 in /build/reproducible-path/mopac-23.0.3/tests and 2.116257727 on output line 507 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.40601706 on reference line 467 in /build/reproducible-path/mopac-23.0.3/tests and 1.418702973 on output line 508 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.54294822 on reference line 467 in /build/reproducible-path/mopac-23.0.3/tests and 0.534692104 on output line 508 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 2.735481703 on reference line 467 in /build/reproducible-path/mopac-23.0.3/tests and 2.731094697 on output line 508 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -37.75697 on reference line 478 in /build/reproducible-path/mopac-23.0.3/tests and -37.75798 on output line 519 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -30.86924 on reference line 478 in /build/reproducible-path/mopac-23.0.3/tests and -30.87062 on output line 519 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -30.67089 on reference line 478 in /build/reproducible-path/mopac-23.0.3/tests and -30.67021 on output line 519 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -29.6694 on reference line 478 in /build/reproducible-path/mopac-23.0.3/tests and -29.66873 on output line 519 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -29.29795 on reference line 478 in /build/reproducible-path/mopac-23.0.3/tests and -29.29654 on output line 519 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -27.58679 on reference line 478 in /build/reproducible-path/mopac-23.0.3/tests and -27.58727 on output line 519 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -26.05072 on reference line 478 in /build/reproducible-path/mopac-23.0.3/tests and -26.05103 on output line 519 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -25.77464 on reference line 478 in /build/reproducible-path/mopac-23.0.3/tests and -25.77671 on output line 519 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -25.61711 on reference line 479 in /build/reproducible-path/mopac-23.0.3/tests and -25.61607 on output line 520 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -24.55775 on reference line 479 in /build/reproducible-path/mopac-23.0.3/tests and -24.55709 on output line 520 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -22.91416 on reference line 479 in /build/reproducible-path/mopac-23.0.3/tests and -22.91298 on output line 520 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -20.80122 on reference line 479 in /build/reproducible-path/mopac-23.0.3/tests and -20.7973 on output line 520 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -19.85203 on reference line 479 in /build/reproducible-path/mopac-23.0.3/tests and -19.85298 on output line 520 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -19.56616 on reference line 479 in /build/reproducible-path/mopac-23.0.3/tests and -19.56984 on output line 520 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -17.92319 on reference line 479 in /build/reproducible-path/mopac-23.0.3/tests and -17.92037 on output line 520 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -17.56184 on reference line 479 in /build/reproducible-path/mopac-23.0.3/tests and -17.56357 on output line 520 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -17.4333 on reference line 480 in /build/reproducible-path/mopac-23.0.3/tests and -17.43255 on output line 521 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -17.11986 on reference line 480 in /build/reproducible-path/mopac-23.0.3/tests and -17.12317 on output line 521 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -16.24491 on reference line 480 in /build/reproducible-path/mopac-23.0.3/tests and -16.24367 on output line 521 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -15.92288 on reference line 480 in /build/reproducible-path/mopac-23.0.3/tests and -15.90798 on output line 521 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -15.667 on reference line 480 in /build/reproducible-path/mopac-23.0.3/tests and -15.67388 on output line 521 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -15.07691 on reference line 480 in /build/reproducible-path/mopac-23.0.3/tests and -15.07811 on output line 521 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -14.98423 on reference line 480 in /build/reproducible-path/mopac-23.0.3/tests and -14.98369 on output line 521 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -14.78592 on reference line 480 in /build/reproducible-path/mopac-23.0.3/tests and -14.78613 on output line 521 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -14.49058 on reference line 481 in /build/reproducible-path/mopac-23.0.3/tests and -14.49177 on output line 522 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -14.12013 on reference line 481 in /build/reproducible-path/mopac-23.0.3/tests and -14.12637 on output line 522 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -13.85112 on reference line 481 in /build/reproducible-path/mopac-23.0.3/tests and -13.84938 on output line 522 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -13.79769 on reference line 481 in /build/reproducible-path/mopac-23.0.3/tests and -13.79979 on output line 522 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -13.75418 on reference line 481 in /build/reproducible-path/mopac-23.0.3/tests and -13.75391 on output line 522 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -13.63189 on reference line 481 in /build/reproducible-path/mopac-23.0.3/tests and -13.63082 on output line 522 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -13.57891 on reference line 481 in /build/reproducible-path/mopac-23.0.3/tests and -13.58516 on output line 522 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -13.10785 on reference line 481 in /build/reproducible-path/mopac-23.0.3/tests and -13.10451 on output line 522 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -12.97628 on reference line 482 in /build/reproducible-path/mopac-23.0.3/tests and -12.96902 on output line 523 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -12.82584 on reference line 482 in /build/reproducible-path/mopac-23.0.3/tests and -12.82549 on output line 523 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -12.33938 on reference line 482 in /build/reproducible-path/mopac-23.0.3/tests and -12.34493 on output line 523 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -11.8686 on reference line 482 in /build/reproducible-path/mopac-23.0.3/tests and -11.85917 on output line 523 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -11.23451 on reference line 482 in /build/reproducible-path/mopac-23.0.3/tests and -11.23291 on output line 523 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -11.01702 on reference line 482 in /build/reproducible-path/mopac-23.0.3/tests and -11.02094 on output line 523 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -10.81164 on reference line 482 in /build/reproducible-path/mopac-23.0.3/tests and -10.81299 on output line 523 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -10.18538 on reference line 482 in /build/reproducible-path/mopac-23.0.3/tests and -10.18411 on output line 523 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -8.20804 on reference line 483 in /build/reproducible-path/mopac-23.0.3/tests and -8.20866 on output line 524 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.87642 on reference line 483 in /build/reproducible-path/mopac-23.0.3/tests and 0.87616 on output line 524 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.3593 on reference line 483 in /build/reproducible-path/mopac-23.0.3/tests and 1.3576 on output line 524 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.60339 on reference line 483 in /build/reproducible-path/mopac-23.0.3/tests and 1.60494 on output line 524 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.89346 on reference line 483 in /build/reproducible-path/mopac-23.0.3/tests and 1.89109 on output line 524 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 2.88294 on reference line 483 in /build/reproducible-path/mopac-23.0.3/tests and 2.88235 on output line 524 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 3.05225 on reference line 483 in /build/reproducible-path/mopac-23.0.3/tests and 3.05284 on output line 524 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 3.62559 on reference line 484 in /build/reproducible-path/mopac-23.0.3/tests and 3.62546 on output line 525 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 3.73982 on reference line 484 in /build/reproducible-path/mopac-23.0.3/tests and 3.7383 on output line 525 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 4.00024 on reference line 484 in /build/reproducible-path/mopac-23.0.3/tests and 4.00059 on output line 525 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 4.13259 on reference line 484 in /build/reproducible-path/mopac-23.0.3/tests and 4.13331 on output line 525 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 4.46951 on reference line 484 in /build/reproducible-path/mopac-23.0.3/tests and 4.46877 on output line 525 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 4.48109 on reference line 484 in /build/reproducible-path/mopac-23.0.3/tests and 4.48025 on output line 525 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 4.58897 on reference line 484 in /build/reproducible-path/mopac-23.0.3/tests and 4.58782 on output line 525 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 4.65321 on reference line 484 in /build/reproducible-path/mopac-23.0.3/tests and 4.65384 on output line 525 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 4.78596 on reference line 485 in /build/reproducible-path/mopac-23.0.3/tests and 4.78682 on output line 526 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 4.84147 on reference line 485 in /build/reproducible-path/mopac-23.0.3/tests and 4.84216 on output line 526 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 5.01234 on reference line 485 in /build/reproducible-path/mopac-23.0.3/tests and 5.01181 on output line 526 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 5.12206 on reference line 485 in /build/reproducible-path/mopac-23.0.3/tests and 5.11999 on output line 526 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 5.13122 on reference line 485 in /build/reproducible-path/mopac-23.0.3/tests and 5.13952 on output line 526 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 5.19133 on reference line 485 in /build/reproducible-path/mopac-23.0.3/tests and 5.19208 on output line 526 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 5.28406 on reference line 485 in /build/reproducible-path/mopac-23.0.3/tests and 5.28233 on output line 526 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 5.52496 on reference line 485 in /build/reproducible-path/mopac-23.0.3/tests and 5.52394 on output line 526 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 5.54899 on reference line 486 in /build/reproducible-path/mopac-23.0.3/tests and 5.54999 on output line 527 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 5.71059 on reference line 486 in /build/reproducible-path/mopac-23.0.3/tests and 5.71275 on output line 527 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 5.81068 on reference line 486 in /build/reproducible-path/mopac-23.0.3/tests and 5.81019 on output line 527 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 5.8292 on reference line 486 in /build/reproducible-path/mopac-23.0.3/tests and 5.82874 on output line 527 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 5.90607 on reference line 486 in /build/reproducible-path/mopac-23.0.3/tests and 5.9054 on output line 527 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 6.29771 on reference line 486 in /build/reproducible-path/mopac-23.0.3/tests and 6.29792 on output line 527 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 6.39742 on reference line 486 in /build/reproducible-path/mopac-23.0.3/tests and 6.39647 on output line 527 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 6.58301 on reference line 486 in /build/reproducible-path/mopac-23.0.3/tests and 6.58353 on output line 527 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.516152 on reference line 493 in /build/reproducible-path/mopac-23.0.3/tests and -0.516655 on output line 534 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 4.5162 on reference line 493 in /build/reproducible-path/mopac-23.0.3/tests and 4.5167 on output line 534 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 3.45453 on reference line 493 in /build/reproducible-path/mopac-23.0.3/tests and 3.45501 on output line 534 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.664588 on reference line 494 in /build/reproducible-path/mopac-23.0.3/tests and 0.664062 on output line 535 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 3.3354 on reference line 494 in /build/reproducible-path/mopac-23.0.3/tests and 3.3359 on output line 535 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 2.23109 on reference line 494 in /build/reproducible-path/mopac-23.0.3/tests and 2.23156 on output line 535 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.615107 on reference line 495 in /build/reproducible-path/mopac-23.0.3/tests and -0.614489 on output line 536 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 6.6151 on reference line 495 in /build/reproducible-path/mopac-23.0.3/tests and 6.6145 on output line 536 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 4.73831 on reference line 495 in /build/reproducible-path/mopac-23.0.3/tests and 4.73767 on output line 536 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.47906 on reference line 496 in /build/reproducible-path/mopac-23.0.3/tests and -0.479735 on output line 537 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 6.4791 on reference line 496 in /build/reproducible-path/mopac-23.0.3/tests and 6.4797 on output line 537 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 4.61147 on reference line 496 in /build/reproducible-path/mopac-23.0.3/tests and 4.61215 on output line 537 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.24763 on reference line 497 in /build/reproducible-path/mopac-23.0.3/tests and 0.247381 on output line 538 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 3.7524 on reference line 497 in /build/reproducible-path/mopac-23.0.3/tests and 3.7526 on output line 538 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 2.67417 on reference line 497 in /build/reproducible-path/mopac-23.0.3/tests and 2.67434 on output line 538 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.583573 on reference line 500 in /build/reproducible-path/mopac-23.0.3/tests and -0.583408 on output line 541 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 6.5836 on reference line 500 in /build/reproducible-path/mopac-23.0.3/tests and 6.5834 on output line 541 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 4.74303 on reference line 500 in /build/reproducible-path/mopac-23.0.3/tests and 4.7429 on output line 541 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.755243 on reference line 502 in /build/reproducible-path/mopac-23.0.3/tests and -0.754648 on output line 543 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 4.7552 on reference line 502 in /build/reproducible-path/mopac-23.0.3/tests and 4.7546 on output line 543 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.04316 on reference line 502 in /build/reproducible-path/mopac-23.0.3/tests and 1.04343 on output line 543 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 3.71208 on reference line 502 in /build/reproducible-path/mopac-23.0.3/tests and 3.71122 on output line 543 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.221733 on reference line 503 in /build/reproducible-path/mopac-23.0.3/tests and 0.221511 on output line 544 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 4.7783 on reference line 503 in /build/reproducible-path/mopac-23.0.3/tests and 4.7785 on output line 544 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 3.30753 on reference line 503 in /build/reproducible-path/mopac-23.0.3/tests and 3.30772 on output line 544 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.342573 on reference line 505 in /build/reproducible-path/mopac-23.0.3/tests and -0.342342 on output line 546 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 4.3426 on reference line 505 in /build/reproducible-path/mopac-23.0.3/tests and 4.3423 on output line 546 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 3.26087 on reference line 505 in /build/reproducible-path/mopac-23.0.3/tests and 3.26072 on output line 546 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.183542 on reference line 507 in /build/reproducible-path/mopac-23.0.3/tests and 0.182611 on output line 548 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.8165 on reference line 507 in /build/reproducible-path/mopac-23.0.3/tests and 0.8174 on output line 548 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.81646 on reference line 507 in /build/reproducible-path/mopac-23.0.3/tests and 0.81739 on output line 548 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.17701 on reference line 508 in /build/reproducible-path/mopac-23.0.3/tests and 0.177564 on output line 549 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.823 on reference line 508 in /build/reproducible-path/mopac-23.0.3/tests and 0.8224 on output line 549 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.82299 on reference line 508 in /build/reproducible-path/mopac-23.0.3/tests and 0.82244 on output line 549 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.184264 on reference line 509 in /build/reproducible-path/mopac-23.0.3/tests and 0.185253 on output line 550 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.8157 on reference line 509 in /build/reproducible-path/mopac-23.0.3/tests and 0.8147 on output line 550 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.81574 on reference line 509 in /build/reproducible-path/mopac-23.0.3/tests and 0.81475 on output line 550 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.195662 on reference line 516 in /build/reproducible-path/mopac-23.0.3/tests and 0.195548 on output line 557 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.8043 on reference line 516 in /build/reproducible-path/mopac-23.0.3/tests and 0.8045 on output line 557 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.80434 on reference line 516 in /build/reproducible-path/mopac-23.0.3/tests and 0.80445 on output line 557 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.166105 on reference line 517 in /build/reproducible-path/mopac-23.0.3/tests and 0.166314 on output line 558 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.8339 on reference line 517 in /build/reproducible-path/mopac-23.0.3/tests and 0.8337 on output line 558 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.8339 on reference line 517 in /build/reproducible-path/mopac-23.0.3/tests and 0.83369 on output line 558 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.822 on reference line 520 in /build/reproducible-path/mopac-23.0.3/tests and 0.8221 on output line 561 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 4.771 on reference line 525 in /build/reproducible-path/mopac-23.0.3/tests and 4.789 on output line 566 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -5.424 on reference line 525 in /build/reproducible-path/mopac-23.0.3/tests and -5.416 on output line 566 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 2.478 on reference line 525 in /build/reproducible-path/mopac-23.0.3/tests and 2.452 on output line 566 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 7.637 on reference line 525 in /build/reproducible-path/mopac-23.0.3/tests and 7.634 on output line 566 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.334 on reference line 526 in /build/reproducible-path/mopac-23.0.3/tests and 0.313 on output line 567 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.706 on reference line 526 in /build/reproducible-path/mopac-23.0.3/tests and -0.695 on output line 567 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.199 on reference line 526 in /build/reproducible-path/mopac-23.0.3/tests and 0.193 on output line 567 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.807 on reference line 526 in /build/reproducible-path/mopac-23.0.3/tests and 0.787 on output line 567 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 5.106 on reference line 527 in /build/reproducible-path/mopac-23.0.3/tests and 5.103 on output line 568 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -6.131 on reference line 527 in /build/reproducible-path/mopac-23.0.3/tests and -6.111 on output line 568 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 2.677 on reference line 527 in /build/reproducible-path/mopac-23.0.3/tests and 2.645 on output line 568 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 8.416 on reference line 527 in /build/reproducible-path/mopac-23.0.3/tests and 8.389 on output line 568 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.16563 on reference line 533 in /build/reproducible-path/mopac-23.0.3/tests and 1.16489 on output line 574 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.09826 on reference line 533 in /build/reproducible-path/mopac-23.0.3/tests and 1.10088 on output line 574 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.19064 on reference line 533 in /build/reproducible-path/mopac-23.0.3/tests and 1.18924 on output line 574 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.68583 on reference line 534 in /build/reproducible-path/mopac-23.0.3/tests and 0.68646 on output line 575 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.7836 on reference line 534 in /build/reproducible-path/mopac-23.0.3/tests and 0.78321 on output line 575 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.76166 on reference line 534 in /build/reproducible-path/mopac-23.0.3/tests and 0.76189 on output line 575 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.61161 on reference line 535 in /build/reproducible-path/mopac-23.0.3/tests and 1.61219 on output line 576 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.80564 on reference line 535 in /build/reproducible-path/mopac-23.0.3/tests and 1.80457 on output line 576 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.32106 on reference line 535 in /build/reproducible-path/mopac-23.0.3/tests and 1.32091 on output line 576 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.70983 on reference line 536 in /build/reproducible-path/mopac-23.0.3/tests and 1.71145 on output line 577 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.41841 on reference line 536 in /build/reproducible-path/mopac-23.0.3/tests and 1.41858 on output line 577 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.48323 on reference line 536 in /build/reproducible-path/mopac-23.0.3/tests and 1.48212 on output line 577 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.9148 on reference line 537 in /build/reproducible-path/mopac-23.0.3/tests and 0.9158 on output line 578 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.75545 on reference line 537 in /build/reproducible-path/mopac-23.0.3/tests and 0.75422 on output line 578 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.00391 on reference line 537 in /build/reproducible-path/mopac-23.0.3/tests and 1.00433 on output line 578 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.18437 on reference line 538 in /build/reproducible-path/mopac-23.0.3/tests and 1.18453 on output line 579 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.03671 on reference line 538 in /build/reproducible-path/mopac-23.0.3/tests and 1.03634 on output line 579 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.13301 on reference line 538 in /build/reproducible-path/mopac-23.0.3/tests and 1.1332 on output line 579 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.73331 on reference line 539 in /build/reproducible-path/mopac-23.0.3/tests and 0.7332 on output line 580 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.66911 on reference line 539 in /build/reproducible-path/mopac-23.0.3/tests and 0.66933 on output line 580 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.38411 on reference line 540 in /build/reproducible-path/mopac-23.0.3/tests and 1.38455 on output line 581 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.54063 on reference line 540 in /build/reproducible-path/mopac-23.0.3/tests and 1.54098 on output line 581 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.81829 on reference line 540 in /build/reproducible-path/mopac-23.0.3/tests and 1.81737 on output line 581 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.58 on reference line 541 in /build/reproducible-path/mopac-23.0.3/tests and 1.57555 on output line 582 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.50414 on reference line 541 in /build/reproducible-path/mopac-23.0.3/tests and 1.50804 on output line 582 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.51517 on reference line 541 in /build/reproducible-path/mopac-23.0.3/tests and 1.51573 on output line 582 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.04316 on reference line 542 in /build/reproducible-path/mopac-23.0.3/tests and 1.04343 on output line 583 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.02757 on reference line 542 in /build/reproducible-path/mopac-23.0.3/tests and 1.02514 on output line 583 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.74638 on reference line 542 in /build/reproducible-path/mopac-23.0.3/tests and 1.74712 on output line 583 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.93813 on reference line 542 in /build/reproducible-path/mopac-23.0.3/tests and 0.93896 on output line 583 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.07894 on reference line 543 in /build/reproducible-path/mopac-23.0.3/tests and 1.07908 on output line 584 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.9083 on reference line 544 in /build/reproducible-path/mopac-23.0.3/tests and 0.90756 on output line 585 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.17477 on reference line 544 in /build/reproducible-path/mopac-23.0.3/tests and 1.17534 on output line 585 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.93911 on reference line 545 in /build/reproducible-path/mopac-23.0.3/tests and 0.93864 on output line 586 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.14334 on reference line 545 in /build/reproducible-path/mopac-23.0.3/tests and 1.14357 on output line 586 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.16591 on reference line 546 in /build/reproducible-path/mopac-23.0.3/tests and 1.16637 on output line 587 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.16678 on reference line 546 in /build/reproducible-path/mopac-23.0.3/tests and 1.1676 on output line 587 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.94759 on reference line 546 in /build/reproducible-path/mopac-23.0.3/tests and 0.94636 on output line 587 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.81646 on reference line 547 in /build/reproducible-path/mopac-23.0.3/tests and 0.81739 on output line 588 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.82299 on reference line 548 in /build/reproducible-path/mopac-23.0.3/tests and 0.82244 on output line 589 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.81574 on reference line 549 in /build/reproducible-path/mopac-23.0.3/tests and 0.81475 on output line 590 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.80434 on reference line 556 in /build/reproducible-path/mopac-23.0.3/tests and 0.80445 on output line 597 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.8339 on reference line 557 in /build/reproducible-path/mopac-23.0.3/tests and 0.83369 on output line 598 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.325 on reference line 567 in /build/reproducible-path/mopac-23.0.3/tests and -1.331 on output line 608 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -5.579 on reference line 567 in /build/reproducible-path/mopac-23.0.3/tests and -5.578 on output line 608 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -6.903 on reference line 567 in /build/reproducible-path/mopac-23.0.3/tests and -6.909 on output line 608 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -4054.5015 on reference line 576 in /build/reproducible-path/mopac-23.0.3/tests and -4054.5204 on output line 617 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1748.4397 on reference line 577 in /build/reproducible-path/mopac-23.0.3/tests and 1748.4489 on output line 618 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -2306.0618 on reference line 579 in /build/reproducible-path/mopac-23.0.3/tests and -2306.0715 on output line 620 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -391.1003 on reference line 583 in /build/reproducible-path/mopac-23.0.3/tests and -391.0984 on output line 624 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -162.9682 on reference line 584 in /build/reproducible-path/mopac-23.0.3/tests and -162.9684 on output line 625 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -554.0685 on reference line 586 in /build/reproducible-path/mopac-23.0.3/tests and -554.0669 on output line 627 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 13473.4859 on reference line 588 in /build/reproducible-path/mopac-23.0.3/tests and 13471.3488 on output line 629 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -27163.3213 on reference line 589 in /build/reproducible-path/mopac-23.0.3/tests and -27159.0365 on output line 630 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 13847.8465 on reference line 590 in /build/reproducible-path/mopac-23.0.3/tests and 13845.7065 on output line 631 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 158.0111 on reference line 592 in /build/reproducible-path/mopac-23.0.3/tests and 158.0187 on output line 633 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -396.0574 on reference line 594 in /build/reproducible-path/mopac-23.0.3/tests and -396.0481 on output line 635 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -2702.1191 on reference line 596 in /build/reproducible-path/mopac-23.0.3/tests and -2702.1196 on output line 637 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +120/124 Test #27: erratic-1 ........................ Passed 7.79 sec 114: 114: -114: MOPAC Job: "ROOT.mop" ended normally on Feb 17, 2025, at 02:04. +114: MOPAC Job: "ROOT.mop" ended normally on Mar 23, 2026, at 10:30. 114: 114: WARNING: numerical heat mismatch between -205.75414 on reference line 100 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -205.75541 on output line 100 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 114: WARNING: numerical mismatch between -860.87533 on reference line 100 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -860.88062 on output line 100 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac @@ -3968,10 +4025,10 @@ 114: WARNING: numerical mismatch between 175.30693 on reference line 3300 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 175.30219 on output line 3300 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 114: WARNING: numerical heat mismatch between -102.57995 on reference line 3940 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -102.58117 on output line 3940 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 114: WARNING: numerical mismatch between -429.19453 on reference line 3940 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -429.1996 on output line 3940 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -121/124 Test #114: key-ROOT ......................... Passed 26.38 sec +121/124 Test #114: key-ROOT ......................... Passed 10.81 sec 1: 1: -1: MOPAC Job: "port.mop" ended normally on Feb 17, 2025, at 02:04. +1: MOPAC Job: "port.mop" ended normally on Mar 23, 2026, at 10:30. 1: 1: WARNING: numerical mismatch between 0.00060287 on reference line 52884 in /build/reproducible-path/mopac-23.0.3/tests and 1.9631 on output line 52887 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 1: WARNING: numerical mismatch between 0.000614315 on reference line 52885 in /build/reproducible-path/mopac-23.0.3/tests and 16.9805 on output line 52888 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac @@ -5904,28 +5961,28 @@ 1: WARNING: numerical mismatch between -470.037736 on reference line 103568 in /build/reproducible-path/mopac-23.0.3/tests and -470.03787 on output line 103576 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 1: WARNING: numerical mismatch between 0.005486 on reference line 103569 in /build/reproducible-path/mopac-23.0.3/tests and 0.005765 on output line 103577 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 1: WARNING: numerical mismatch between -470.038009 on reference line 103571 in /build/reproducible-path/mopac-23.0.3/tests and -470.038153 on output line 103579 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -122/124 Test #1: port ............................. Passed 44.21 sec +122/124 Test #1: port ............................. Passed 18.65 sec 3: 3: -3: MOPAC Job: "test_Lewis_for_Proteins.mop" ended normally on Feb 17, 2025, at 02:04. +3: MOPAC Job: "test_Lewis_for_Proteins.mop" ended normally on Mar 23, 2026, at 10:30. 3: -123/124 Test #3: mozyme ........................... Passed 67.19 sec +123/124 Test #3: mozyme ........................... Passed 30.18 sec 2: 2: -2: MOPAC Job: "Crambin_1SCF.mop" ended normally on Feb 17, 2025, at 02:05. +2: MOPAC Job: "Crambin_1SCF.mop" ended normally on Mar 23, 2026, at 10:30. 2: -124/124 Test #2: crambin .......................... Passed 84.03 sec +124/124 Test #2: crambin .......................... Passed 36.98 sec 100% tests passed, 0 tests failed out of 124 -Total Test time (real) = 84.06 sec +Total Test time (real) = 37.00 sec make[1]: Leaving directory '/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu' create-stamp debian/debhelper-build-stamp dh_prep debian/rules override_dh_auto_install make[1]: Entering directory '/build/reproducible-path/mopac-23.0.3' dh_auto_install - cd obj-x86_64-linux-gnu && make -j20 install DESTDIR=/build/reproducible-path/mopac-23.0.3/debian/mopac AM_UPDATE_INFO_DIR=no + cd obj-x86_64-linux-gnu && make -j42 install DESTDIR=/build/reproducible-path/mopac-23.0.3/debian/mopac AM_UPDATE_INFO_DIR=no make[2]: Entering directory '/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu' /usr/bin/cmake -S/build/reproducible-path/mopac-23.0.3 -B/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu --check-build-system CMakeFiles/Makefile.cmake 0 /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/CMakeFiles /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu//CMakeFiles/progress.marks @@ -5959,22 +6016,22 @@ make[4]: Entering directory '/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu' cd /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/mopac-23.0.3 /build/reproducible-path/mopac-23.0.3 /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/CMakeFiles/mopac-api-test.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu' -make -f CMakeFiles/mopac.dir/build.make CMakeFiles/mopac.dir/build -make[4]: Entering directory '/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu' -make[4]: Nothing to be done for 'CMakeFiles/mopac.dir/build'. -make[4]: Leaving directory '/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu' make -f CMakeFiles/mopac-param.dir/build.make CMakeFiles/mopac-param.dir/build make[4]: Leaving directory '/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu' +make[4]: Leaving directory '/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu' 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-23.0.3/obj-x86_64-linux-gnu' make[4]: Nothing to be done for 'CMakeFiles/mopac-param.dir/build'. make[4]: Leaving directory '/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu' make[4]: Entering directory '/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu' make[4]: Nothing to be done for 'CMakeFiles/mopac-api-test.dir/build'. make[4]: Leaving directory '/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu' -[ 98%] Built target mopac +make[4]: Entering directory '/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu' +make[4]: Nothing to be done for 'CMakeFiles/mopac.dir/build'. +make[4]: Leaving directory '/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu' [ 99%] Built target mopac-param +[ 99%] Built target mopac [100%] Built target mopac-api-test make[3]: Leaving directory '/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu' /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/CMakeFiles 0 @@ -6021,12 +6078,14 @@ 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/3993696/tmp/hooks/B01_cleanup starting +I: user script /srv/workspace/pbuilder/3993696/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/2057428 and its subdirectories -I: Current time: Mon Feb 17 02:05:34 -12 2025 -I: pbuilder-time-stamp: 1739801134 +I: removing directory /srv/workspace/pbuilder/3993696 and its subdirectories +I: Current time: Mon Mar 23 10:30:33 +14 2026 +I: pbuilder-time-stamp: 1774211433