Diff of the two buildlogs: -- --- b1/build.log 2023-06-02 05:24:06.713157502 +0000 +++ b2/build.log 2023-06-02 05:28:58.488382160 +0000 @@ -1,8 +1,49 @@ I: pbuilder: network access will be disabled during build -I: Current time: Thu Jun 1 17:15:32 -12 2023 -I: pbuilder-time-stamp: 1685682932 +I: Current time: Fri Jul 5 01:47:09 +14 2024 +I: pbuilder-time-stamp: 1720093629 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/bookworm-reproducible-base.tgz] +tar: ./usr/share/perl5/Debian: time stamp 2025-08-05 10:27:04 is 34245592.830024601 s in the future +tar: ./usr/share/man/pt/man8: time stamp 2025-08-05 10:27:04 is 34245592.786421921 s in the future +tar: ./usr/share/man/pt/man5: time stamp 2025-08-05 10:27:04 is 34245592.784948903 s in the future +tar: ./usr/share/man/nl/man8: time stamp 2025-08-05 10:27:04 is 34245592.782010889 s in the future +tar: ./usr/share/man/nl/man5: time stamp 2025-08-05 10:27:04 is 34245592.780443015 s in the future +tar: ./usr/share/man/man5: time stamp 2025-08-05 10:27:04 is 34245592.769874773 s in the future +tar: ./usr/share/man/fr/man5: time stamp 2025-08-05 10:27:04 is 34245592.763592499 s in the future +tar: ./usr/share/man/de/man5: time stamp 2025-08-05 10:27:04 is 34245592.757182805 s in the future +tar: ./usr/share/locale/zh_CN/LC_MESSAGES: time stamp 2025-08-05 10:27:04 is 34245592.53064749 s in the future +tar: ./usr/share/locale/vi/LC_MESSAGES: time stamp 2025-08-05 10:27:04 is 34245592.511371839 s in the future +tar: ./usr/share/locale/uk/LC_MESSAGES: time stamp 2025-08-05 10:27:04 is 34245592.478302548 s in the future +tar: ./usr/share/locale/sv/LC_MESSAGES: time stamp 2025-08-05 10:27:04 is 34245592.441554753 s in the future +tar: ./usr/share/locale/sk/LC_MESSAGES: time stamp 2025-08-05 10:27:04 is 34245592.43246446 s in the future +tar: ./usr/share/locale/ru/LC_MESSAGES: time stamp 2025-08-05 10:27:04 is 34245592.398050166 s in the future +tar: ./usr/share/locale/pt_BR/LC_MESSAGES: time stamp 2025-08-05 10:27:04 is 34245592.383292788 s in the future +tar: ./usr/share/locale/pt/LC_MESSAGES: time stamp 2025-08-05 10:27:04 is 34245592.362351638 s in the future +tar: ./usr/share/locale/pl/LC_MESSAGES: time stamp 2025-08-05 10:27:04 is 34245592.347157738 s in the future +tar: ./usr/share/locale/nl/LC_MESSAGES: time stamp 2025-08-05 10:27:04 is 34245592.33015943 s in the future +tar: ./usr/share/locale/nb/LC_MESSAGES: time stamp 2025-08-05 10:27:04 is 34245592.319026178 s in the future +tar: ./usr/share/locale/ko/LC_MESSAGES: time stamp 2025-08-05 10:27:04 is 34245592.307747758 s in the future +tar: ./usr/share/locale/ja/LC_MESSAGES: time stamp 2025-08-05 10:27:04 is 34245592.289612356 s in the future +tar: ./usr/share/locale/it/LC_MESSAGES: time stamp 2025-08-05 10:27:04 is 34245592.275684893 s in the future +tar: ./usr/share/locale/hu/LC_MESSAGES: time stamp 2025-08-05 10:27:04 is 34245592.265498781 s in the future +tar: ./usr/share/locale/gl/LC_MESSAGES: time stamp 2025-08-05 10:27:04 is 34245592.259906358 s in the future +tar: ./usr/share/locale/fr/LC_MESSAGES: time stamp 2025-08-05 10:27:04 is 34245592.228133533 s in the future +tar: ./usr/share/locale/eu/LC_MESSAGES: time stamp 2025-08-05 10:27:04 is 34245592.223908689 s in the future +tar: ./usr/share/locale/es/LC_MESSAGES: time stamp 2025-08-05 10:27:04 is 34245592.199127232 s in the future +tar: ./usr/share/locale/de/LC_MESSAGES: time stamp 2025-08-05 10:27:04 is 34245592.181585508 s in the future +tar: ./usr/share/locale/da/LC_MESSAGES: time stamp 2025-08-05 10:27:04 is 34245592.166078532 s in the future +tar: ./usr/share/locale/cs/LC_MESSAGES: time stamp 2025-08-05 10:27:04 is 34245592.150381613 s in the future +tar: ./usr/share/locale/ca/LC_MESSAGES: time stamp 2025-08-05 10:27:04 is 34245592.134725501 s in the future +tar: ./usr/share/doc/adduser/examples/adduser.local.conf.examples/skel.other: time stamp 2025-08-05 10:27:04 is 34245592.002772124 s in the future +tar: ./usr/share/doc/adduser/examples/adduser.local.conf.examples/skel: time stamp 2025-08-05 10:27:04 is 34245592.002543596 s in the future +tar: ./usr/share/doc/adduser/examples/adduser.local.conf.examples: time stamp 2025-08-05 10:27:04 is 34245592.00244383 s in the future +tar: ./usr/share/doc/adduser/examples: time stamp 2025-08-05 10:27:04 is 34245592.002056922 s in the future +tar: ./usr/share/doc/adduser: time stamp 2025-08-05 10:27:04 is 34245592.00182348 s in the future +tar: ./var/lib/dpkg/info/adduser.list: time stamp 2025-08-05 10:27:04 is 34245587.198725778 s in the future +tar: ./usr/share/man/de/man8: time stamp 2025-08-05 10:27:04 is 34245586.614436119 s in the future +tar: ./usr/share/man/fr/man8: time stamp 2025-08-05 10:27:04 is 34245586.614342461 s in the future +tar: ./usr/share/man/man8: time stamp 2025-08-05 10:27:04 is 34245586.614271721 s in the future +tar: ./usr/sbin: time stamp 2025-08-05 10:27:04 is 34245586.613248911 s in the future I: copying local configuration W: --override-config is not set; not updating apt.conf Read the manpage for details. I: mounting /proc filesystem @@ -16,7 +57,7 @@ I: copying [./mopac_22.0.6+dfsg.orig.tar.xz] I: copying [./mopac_22.0.6+dfsg-1.debian.tar.xz] I: Extracting source -gpgv: Signature made Sat Jan 21 23:20:05 2023 -12 +gpgv: Signature made Mon Jan 23 01:20:05 2023 +14 gpgv: using RSA key 9CA877749FAB2E4FA96862ECDC686A27B43481B0 gpgv: Can't check signature: No public key dpkg-source: warning: cannot verify inline signature for ./mopac_22.0.6+dfsg-1.dsc: no acceptable signature found @@ -30,135 +71,167 @@ dpkg-source: info: applying remove_makpol.patch I: using fakeroot in build. I: Installing the build-deps -I: user script /srv/workspace/pbuilder/1570434/tmp/hooks/D02_print_environment starting +I: user script /srv/workspace/pbuilder/3700795/tmp/hooks/D01_modify_environment starting +debug: Running on ionos15-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 Jul 5 01:47 /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/3700795/tmp/hooks/D01_modify_environment finished +I: user script /srv/workspace/pbuilder/3700795/tmp/hooks/D02_print_environment starting I: set - BUILDDIR='/build' - 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=15 ' - DISTRIBUTION='bookworm' - 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]="15" [3]="1" [4]="release" [5]="x86_64-pc-linux-gnu") + BASH_VERSION='5.2.15(1)-release' + BUILDDIR=/build + 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=16 ' + DIRSTACK=() + DISTRIBUTION=bookworm + EUID=0 + FUNCNAME=([0]="Echo" [1]="main") + GROUPS=() + HOME=/root + HOSTNAME=i-capture-the-hostname + HOSTTYPE=x86_64 + HOST_ARCH=amd64 IFS=' ' - INVOCATION_ID='d48098604aa84f87a3609d4d2fe77b64' - 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='1570434' - PS1='# ' - PS2='> ' + INVOCATION_ID=da331a3518484770b51a4af816376412 + 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=3700795 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.W4GLQY7q/pbuilderrc_uU5C --distribution bookworm --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/bookworm-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.W4GLQY7q/b1 --logfile b1/build.log mopac_22.0.6+dfsg-1.dsc' - SUDO_GID='110' - SUDO_UID='105' - SUDO_USER='jenkins' - TERM='unknown' - TZ='/usr/share/zoneinfo/Etc/GMT+12' - USER='root' - _='/usr/bin/systemd-run' - http_proxy='http://78.137.99.97:3128' + 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.W4GLQY7q/pbuilderrc_trvp --distribution bookworm --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/bookworm-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.W4GLQY7q/b2 --logfile b2/build.log --extrapackages usrmerge mopac_22.0.6+dfsg-1.dsc' + SUDO_GID=111 + SUDO_UID=106 + SUDO_USER=jenkins + TERM=unknown + TZ=/usr/share/zoneinfo/Etc/GMT-14 + UID=0 + USER=root + _='I: set' + http_proxy=http://85.184.249.68:3128 I: uname -a - Linux ionos1-amd64 5.10.0-23-amd64 #1 SMP Debian 5.10.179-1 (2023-05-12) x86_64 GNU/Linux + Linux i-capture-the-hostname 6.1.0-0.deb11.7-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.1.20-2~bpo11+1 (2023-04-23) x86_64 GNU/Linux I: ls -l /bin total 5632 - -rwxr-xr-x 1 root root 1265648 Apr 23 09:23 bash - -rwxr-xr-x 3 root root 39224 Sep 18 2022 bunzip2 - -rwxr-xr-x 3 root root 39224 Sep 18 2022 bzcat - lrwxrwxrwx 1 root root 6 Sep 18 2022 bzcmp -> bzdiff - -rwxr-xr-x 1 root root 2225 Sep 18 2022 bzdiff - lrwxrwxrwx 1 root root 6 Sep 18 2022 bzegrep -> bzgrep - -rwxr-xr-x 1 root root 4893 Nov 27 2021 bzexe - lrwxrwxrwx 1 root root 6 Sep 18 2022 bzfgrep -> bzgrep - -rwxr-xr-x 1 root root 3775 Sep 18 2022 bzgrep - -rwxr-xr-x 3 root root 39224 Sep 18 2022 bzip2 - -rwxr-xr-x 1 root root 14568 Sep 18 2022 bzip2recover - lrwxrwxrwx 1 root root 6 Sep 18 2022 bzless -> bzmore - -rwxr-xr-x 1 root root 1297 Sep 18 2022 bzmore - -rwxr-xr-x 1 root root 44016 Sep 20 2022 cat - -rwxr-xr-x 1 root root 68656 Sep 20 2022 chgrp - -rwxr-xr-x 1 root root 64496 Sep 20 2022 chmod - -rwxr-xr-x 1 root root 72752 Sep 20 2022 chown - -rwxr-xr-x 1 root root 151152 Sep 20 2022 cp - -rwxr-xr-x 1 root root 125640 Jan 5 01:20 dash - -rwxr-xr-x 1 root root 121904 Sep 20 2022 date - -rwxr-xr-x 1 root root 89240 Sep 20 2022 dd - -rwxr-xr-x 1 root root 102200 Sep 20 2022 df - -rwxr-xr-x 1 root root 151344 Sep 20 2022 dir - -rwxr-xr-x 1 root root 88656 Mar 22 22:02 dmesg - lrwxrwxrwx 1 root root 8 Dec 19 01:33 dnsdomainname -> hostname - lrwxrwxrwx 1 root root 8 Dec 19 01:33 domainname -> hostname - -rwxr-xr-x 1 root root 43856 Sep 20 2022 echo - -rwxr-xr-x 1 root root 41 Jan 24 02:43 egrep - -rwxr-xr-x 1 root root 35664 Sep 20 2022 false - -rwxr-xr-x 1 root root 41 Jan 24 02:43 fgrep - -rwxr-xr-x 1 root root 85600 Mar 22 22:02 findmnt - -rwsr-xr-x 1 root root 35128 Mar 22 20:35 fusermount - -rwxr-xr-x 1 root root 203152 Jan 24 02:43 grep - -rwxr-xr-x 2 root root 2346 Apr 9 2022 gunzip - -rwxr-xr-x 1 root root 6447 Apr 9 2022 gzexe - -rwxr-xr-x 1 root root 98136 Apr 9 2022 gzip - -rwxr-xr-x 1 root root 22680 Dec 19 01:33 hostname - -rwxr-xr-x 1 root root 72824 Sep 20 2022 ln - -rwxr-xr-x 1 root root 53024 Mar 23 00:40 login - -rwxr-xr-x 1 root root 151344 Sep 20 2022 ls - -rwxr-xr-x 1 root root 207168 Mar 22 22:02 lsblk - -rwxr-xr-x 1 root root 97552 Sep 20 2022 mkdir - -rwxr-xr-x 1 root root 72912 Sep 20 2022 mknod - -rwxr-xr-x 1 root root 43952 Sep 20 2022 mktemp - -rwxr-xr-x 1 root root 59712 Mar 22 22:02 more - -rwsr-xr-x 1 root root 59704 Mar 22 22:02 mount - -rwxr-xr-x 1 root root 18744 Mar 22 22:02 mountpoint - -rwxr-xr-x 1 root root 142968 Sep 20 2022 mv - lrwxrwxrwx 1 root root 8 Dec 19 01:33 nisdomainname -> hostname - lrwxrwxrwx 1 root root 14 Apr 2 18:25 pidof -> /sbin/killall5 - -rwxr-xr-x 1 root root 43952 Sep 20 2022 pwd - lrwxrwxrwx 1 root root 4 Apr 23 09:23 rbash -> bash - -rwxr-xr-x 1 root root 52112 Sep 20 2022 readlink - -rwxr-xr-x 1 root root 72752 Sep 20 2022 rm - -rwxr-xr-x 1 root root 56240 Sep 20 2022 rmdir - -rwxr-xr-x 1 root root 27560 Nov 2 2022 run-parts - -rwxr-xr-x 1 root root 126424 Jan 5 07:55 sed - lrwxrwxrwx 1 root root 4 Jan 5 01:20 sh -> dash - -rwxr-xr-x 1 root root 43888 Sep 20 2022 sleep - -rwxr-xr-x 1 root root 85008 Sep 20 2022 stty - -rwsr-xr-x 1 root root 72000 Mar 22 22:02 su - -rwxr-xr-x 1 root root 39824 Sep 20 2022 sync - -rwxr-xr-x 1 root root 531984 Apr 6 02:25 tar - -rwxr-xr-x 1 root root 14520 Nov 2 2022 tempfile - -rwxr-xr-x 1 root root 109616 Sep 20 2022 touch - -rwxr-xr-x 1 root root 35664 Sep 20 2022 true - -rwxr-xr-x 1 root root 14568 Mar 22 20:35 ulockmgr_server - -rwsr-xr-x 1 root root 35128 Mar 22 22:02 umount - -rwxr-xr-x 1 root root 43888 Sep 20 2022 uname - -rwxr-xr-x 2 root root 2346 Apr 9 2022 uncompress - -rwxr-xr-x 1 root root 151344 Sep 20 2022 vdir - -rwxr-xr-x 1 root root 72024 Mar 22 22:02 wdctl - lrwxrwxrwx 1 root root 8 Dec 19 01:33 ypdomainname -> hostname - -rwxr-xr-x 1 root root 1984 Apr 9 2022 zcat - -rwxr-xr-x 1 root root 1678 Apr 9 2022 zcmp - -rwxr-xr-x 1 root root 6460 Apr 9 2022 zdiff - -rwxr-xr-x 1 root root 29 Apr 9 2022 zegrep - -rwxr-xr-x 1 root root 29 Apr 9 2022 zfgrep - -rwxr-xr-x 1 root root 2081 Apr 9 2022 zforce - -rwxr-xr-x 1 root root 8103 Apr 9 2022 zgrep - -rwxr-xr-x 1 root root 2206 Apr 9 2022 zless - -rwxr-xr-x 1 root root 1842 Apr 9 2022 zmore - -rwxr-xr-x 1 root root 4577 Apr 9 2022 znew -I: user script /srv/workspace/pbuilder/1570434/tmp/hooks/D02_print_environment finished + -rwxr-xr-x 1 root root 1265648 Apr 24 2023 bash + -rwxr-xr-x 3 root root 39224 Sep 19 2022 bunzip2 + -rwxr-xr-x 3 root root 39224 Sep 19 2022 bzcat + lrwxrwxrwx 1 root root 6 Sep 19 2022 bzcmp -> bzdiff + -rwxr-xr-x 1 root root 2225 Sep 19 2022 bzdiff + lrwxrwxrwx 1 root root 6 Sep 19 2022 bzegrep -> bzgrep + -rwxr-xr-x 1 root root 4893 Nov 28 2021 bzexe + lrwxrwxrwx 1 root root 6 Sep 19 2022 bzfgrep -> bzgrep + -rwxr-xr-x 1 root root 3775 Sep 19 2022 bzgrep + -rwxr-xr-x 3 root root 39224 Sep 19 2022 bzip2 + -rwxr-xr-x 1 root root 14568 Sep 19 2022 bzip2recover + lrwxrwxrwx 1 root root 6 Sep 19 2022 bzless -> bzmore + -rwxr-xr-x 1 root root 1297 Sep 19 2022 bzmore + -rwxr-xr-x 1 root root 44016 Sep 21 2022 cat + -rwxr-xr-x 1 root root 68656 Sep 21 2022 chgrp + -rwxr-xr-x 1 root root 64496 Sep 21 2022 chmod + -rwxr-xr-x 1 root root 72752 Sep 21 2022 chown + -rwxr-xr-x 1 root root 151152 Sep 21 2022 cp + -rwxr-xr-x 1 root root 125640 Jan 6 2023 dash + -rwxr-xr-x 1 root root 121904 Sep 21 2022 date + -rwxr-xr-x 1 root root 89240 Sep 21 2022 dd + -rwxr-xr-x 1 root root 102200 Sep 21 2022 df + -rwxr-xr-x 1 root root 151344 Sep 21 2022 dir + -rwxr-xr-x 1 root root 88656 Mar 24 2023 dmesg + lrwxrwxrwx 1 root root 8 Dec 20 2022 dnsdomainname -> hostname + lrwxrwxrwx 1 root root 8 Dec 20 2022 domainname -> hostname + -rwxr-xr-x 1 root root 43856 Sep 21 2022 echo + -rwxr-xr-x 1 root root 41 Jan 25 2023 egrep + -rwxr-xr-x 1 root root 35664 Sep 21 2022 false + -rwxr-xr-x 1 root root 41 Jan 25 2023 fgrep + -rwxr-xr-x 1 root root 85600 Mar 24 2023 findmnt + -rwsr-xr-x 1 root root 35128 Mar 23 2023 fusermount + -rwxr-xr-x 1 root root 203152 Jan 25 2023 grep + -rwxr-xr-x 2 root root 2346 Apr 10 2022 gunzip + -rwxr-xr-x 1 root root 6447 Apr 10 2022 gzexe + -rwxr-xr-x 1 root root 98136 Apr 10 2022 gzip + -rwxr-xr-x 1 root root 22680 Dec 20 2022 hostname + -rwxr-xr-x 1 root root 72824 Sep 21 2022 ln + -rwxr-xr-x 1 root root 53024 Mar 24 2023 login + -rwxr-xr-x 1 root root 151344 Sep 21 2022 ls + -rwxr-xr-x 1 root root 207168 Mar 24 2023 lsblk + -rwxr-xr-x 1 root root 97552 Sep 21 2022 mkdir + -rwxr-xr-x 1 root root 72912 Sep 21 2022 mknod + -rwxr-xr-x 1 root root 43952 Sep 21 2022 mktemp + -rwxr-xr-x 1 root root 59712 Mar 24 2023 more + -rwsr-xr-x 1 root root 59704 Mar 24 2023 mount + -rwxr-xr-x 1 root root 18744 Mar 24 2023 mountpoint + -rwxr-xr-x 1 root root 142968 Sep 21 2022 mv + lrwxrwxrwx 1 root root 8 Dec 20 2022 nisdomainname -> hostname + lrwxrwxrwx 1 root root 14 Apr 3 2023 pidof -> /sbin/killall5 + -rwxr-xr-x 1 root root 43952 Sep 21 2022 pwd + lrwxrwxrwx 1 root root 4 Apr 24 2023 rbash -> bash + -rwxr-xr-x 1 root root 52112 Sep 21 2022 readlink + -rwxr-xr-x 1 root root 72752 Sep 21 2022 rm + -rwxr-xr-x 1 root root 56240 Sep 21 2022 rmdir + -rwxr-xr-x 1 root root 27560 Nov 3 2022 run-parts + -rwxr-xr-x 1 root root 126424 Jan 6 2023 sed + lrwxrwxrwx 1 root root 9 Jul 5 01:47 sh -> /bin/bash + -rwxr-xr-x 1 root root 43888 Sep 21 2022 sleep + -rwxr-xr-x 1 root root 85008 Sep 21 2022 stty + -rwsr-xr-x 1 root root 72000 Mar 24 2023 su + -rwxr-xr-x 1 root root 39824 Sep 21 2022 sync + -rwxr-xr-x 1 root root 531984 Apr 7 2023 tar + -rwxr-xr-x 1 root root 14520 Nov 3 2022 tempfile + -rwxr-xr-x 1 root root 109616 Sep 21 2022 touch + -rwxr-xr-x 1 root root 35664 Sep 21 2022 true + -rwxr-xr-x 1 root root 14568 Mar 23 2023 ulockmgr_server + -rwsr-xr-x 1 root root 35128 Mar 24 2023 umount + -rwxr-xr-x 1 root root 43888 Sep 21 2022 uname + -rwxr-xr-x 2 root root 2346 Apr 10 2022 uncompress + -rwxr-xr-x 1 root root 151344 Sep 21 2022 vdir + -rwxr-xr-x 1 root root 72024 Mar 24 2023 wdctl + lrwxrwxrwx 1 root root 8 Dec 20 2022 ypdomainname -> hostname + -rwxr-xr-x 1 root root 1984 Apr 10 2022 zcat + -rwxr-xr-x 1 root root 1678 Apr 10 2022 zcmp + -rwxr-xr-x 1 root root 6460 Apr 10 2022 zdiff + -rwxr-xr-x 1 root root 29 Apr 10 2022 zegrep + -rwxr-xr-x 1 root root 29 Apr 10 2022 zfgrep + -rwxr-xr-x 1 root root 2081 Apr 10 2022 zforce + -rwxr-xr-x 1 root root 8103 Apr 10 2022 zgrep + -rwxr-xr-x 1 root root 2206 Apr 10 2022 zless + -rwxr-xr-x 1 root root 1842 Apr 10 2022 zmore + -rwxr-xr-x 1 root root 4577 Apr 10 2022 znew +I: user script /srv/workspace/pbuilder/3700795/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy @@ -274,7 +347,7 @@ Get: 66 http://deb.debian.org/debian bookworm/main amd64 liblapack-dev amd64 3.11.0-2 [4631 kB] Get: 67 http://deb.debian.org/debian bookworm/main amd64 python3-pkg-resources all 66.1.1-1 [296 kB] Get: 68 http://deb.debian.org/debian bookworm/main amd64 python3-numpy amd64 1:1.24.2-1 [5209 kB] -Fetched 62.5 MB in 4s (16.8 MB/s) +Fetched 62.5 MB in 1s (93.2 MB/s) debconf: delaying package configuration, since apt-utils is not installed Selecting previously unselected package libpython3.11-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 ... 19591 files and directories currently installed.) @@ -571,10 +644,17 @@ Reading package lists... Building dependency tree... Reading state information... +usrmerge is already the newest version (35). fakeroot is already the newest version (1.31-1.2). 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. I: Building the package -I: Running cd /build/mopac-22.0.6+dfsg/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-genchanges -S > ../mopac_22.0.6+dfsg-1_source.changes +I: user script /srv/workspace/pbuilder/3700795/tmp/hooks/A99_set_merged_usr starting +Re-configuring usrmerge... +removed '/etc/unsupported-skip-usrmerge-conversion' +The system has been successfully converted. +I: user script /srv/workspace/pbuilder/3700795/tmp/hooks/A99_set_merged_usr finished +hostname: Name or service not known +I: Running cd /build/mopac-22.0.6+dfsg/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-genchanges -S > ../mopac_22.0.6+dfsg-1_source.changes dpkg-buildpackage: info: source package mopac dpkg-buildpackage: info: source version 22.0.6+dfsg-1 dpkg-buildpackage: info: source distribution unstable @@ -631,7 +711,7 @@ -- Build files have been written to: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu dh_auto_build - cd obj-x86_64-linux-gnu && make -j15 VERBOSE=1 + cd obj-x86_64-linux-gnu && make -j16 VERBOSE=1 make[1]: Entering directory '/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu' /usr/bin/cmake -S/build/mopac-22.0.6+dfsg -B/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu --check-build-system CMakeFiles/Makefile.cmake 0 /usr/bin/cmake -E cmake_progress_start /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/CMakeFiles /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu//CMakeFiles/progress.marks @@ -646,53 +726,53 @@ make[3]: Leaving directory '/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu' make -f CMakeFiles/mopac-core.dir/build.make CMakeFiles/mopac-core.dir/build make[3]: Entering directory '/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu' -[ 0%] Building Fortran object CMakeFiles/mopac-core.dir/src/Common_arrays_C.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/Common_arrays_C.F90 -o CMakeFiles/mopac-core.dir/src/Common_arrays_C.F90.o [ 0%] Building Fortran object CMakeFiles/mopac-core.dir/src/INDO/reimers_C.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/INDO/reimers_C.F90 -o CMakeFiles/mopac-core.dir/src/INDO/reimers_C.F90.o [ 0%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/MOZYME_C.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/INDO/reimers_C.F90 -o CMakeFiles/mopac-core.dir/src/INDO/reimers_C.F90.o +[ 0%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/Param_global_C.F90.o +[ 0%] Building Fortran object CMakeFiles/mopac-core.dir/src/Common_arrays_C.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/MOZYME/MOZYME_C.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/MOZYME_C.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/Common_arrays_C.F90 -o CMakeFiles/mopac-core.dir/src/Common_arrays_C.F90.o [ 0%] Building Fortran object CMakeFiles/mopac-core.dir/src/SCF/iter_C.F90.o -[ 0%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/Param_global_C.F90.o -[ 1%] Building Fortran object 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/build/mopac-22.0.6+dfsg/src/integrals/mndod_C.F90 -o CMakeFiles/mopac-core.dir/src/integrals/mndod_C.F90.o -[ 1%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/meci_C.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/meci/meci_C.F90 -o CMakeFiles/mopac-core.dir/src/meci/meci_C.F90.o +[ 1%] Building Fortran object CMakeFiles/mopac-core.dir/src/elemts_C.F90.o +[ 1%] Building Fortran object CMakeFiles/mopac-core.dir/src/conref_C.F90.o [ 1%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/parameters_C.F90.o +[ 1%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/meci_C.F90.o [ 2%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/journal_references_C.F90.o -[ 2%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/parameters_for_AM1_C.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/conref_C.F90 -o CMakeFiles/mopac-core.dir/src/conref_C.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/elemts_C.F90 -o CMakeFiles/mopac-core.dir/src/elemts_C.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/models/parameters_C.F90 -o CMakeFiles/mopac-core.dir/src/models/parameters_C.F90.o +[ 2%] Building Fortran object CMakeFiles/mopac-core.dir/src/funcon_C.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c 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-DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/output/to_screen_C.F90 -o CMakeFiles/mopac-core.dir/src/output/to_screen_C.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/potentials/esp_C.F90 -o CMakeFiles/mopac-core.dir/src/potentials/esp_C.F90.o [ 6%] Building Fortran object CMakeFiles/mopac-core.dir/src/overlaps_C.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/overlaps_C.F90 -o CMakeFiles/mopac-core.dir/src/overlaps_C.F90.o +[ 6%] Building Fortran object CMakeFiles/mopac-core.dir/src/potentials/esp_C.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/potentials/esp_C.F90 -o CMakeFiles/mopac-core.dir/src/potentials/esp_C.F90.o [ 6%] Building Fortran object CMakeFiles/mopac-core.dir/src/potentials/rotate_C.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/potentials/rotate_C.F90 -o CMakeFiles/mopac-core.dir/src/potentials/rotate_C.F90.o +[ 6%] Building Fortran object CMakeFiles/mopac-core.dir/src/reactions/ef_C.F90.o [ 6%] Building Fortran object CMakeFiles/mopac-core.dir/src/properties/polar_C.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/properties/polar_C.F90 -o CMakeFiles/mopac-core.dir/src/properties/polar_C.F90.o -[ 6%] Building Fortran object CMakeFiles/mopac-core.dir/src/reactions/ef_C.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/reactions/ef_C.F90 -o CMakeFiles/mopac-core.dir/src/reactions/ef_C.F90.o -[ 6%] Building Fortran object CMakeFiles/mopac-core.dir/src/solvation/cosmo_C.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/solvation/cosmo_C.F90 -o CMakeFiles/mopac-core.dir/src/solvation/cosmo_C.F90.o [ 7%] Building Fortran object CMakeFiles/mopac-core.dir/src/reactions/maps_C.F90.o -[ 7%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/symmetry_C.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/reactions/ef_C.F90 -o CMakeFiles/mopac-core.dir/src/reactions/ef_C.F90.o +[ 7%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/kab_for_MOZYME.F90.o [ 8%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/compct.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/reactions/maps_C.F90 -o CMakeFiles/mopac-core.dir/src/reactions/maps_C.F90.o -[ 8%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/kab_for_MOZYME.F90.o +[ 8%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/symmetry_C.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/symmetry/symmetry_C.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/symmetry_C.F90.o +/usr/bin/f95 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-g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/MOZYME/kab_for_MOZYME.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/kab_for_MOZYME.F90.o -[ 9%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/local2.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/MOZYME/local2.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/local2.F90.o [ 10%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/epseta.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/MOZYME/epseta.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/epseta.F90.o -[ 10%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/fock1_for_MOZYME.F90.o [ 11%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/jab_for_MOZYME.F90.o +[ 11%] Building Fortran object CMakeFiles/mopac-core.dir/src/SCF/fock1.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/MOZYME/epseta.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/epseta.F90.o +[ 11%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/fock1_for_MOZYME.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/MOZYME/fock1_for_MOZYME.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/fock1_for_MOZYME.F90.o +[ 12%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/copyc6.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/MOZYME/jab_for_MOZYME.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/jab_for_MOZYME.F90.o -[ 11%] Building Fortran object CMakeFiles/mopac-core.dir/src/SCF/fock1.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/SCF/fock1.F90 -o CMakeFiles/mopac-core.dir/src/SCF/fock1.F90.o -[ 12%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/copyc6.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/corrections/copyc6.F90 -o CMakeFiles/mopac-core.dir/src/corrections/copyc6.F90.o [ 12%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/xyzcry.F90.o -[ 12%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/deri0.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" 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-O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/integrals/kab.F90 -o CMakeFiles/mopac-core.dir/src/integrals/kab.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/integrals/jab.F90 -o CMakeFiles/mopac-core.dir/src/integrals/jab.F90.o +[ 14%] Building Fortran object CMakeFiles/mopac-core.dir/src/integrals/jab.F90.o [ 14%] Building Fortran object CMakeFiles/mopac-core.dir/src/integrals/helect.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/integrals/helect.F90 -o CMakeFiles/mopac-core.dir/src/integrals/helect.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/integrals/jab.F90 -o CMakeFiles/mopac-core.dir/src/integrals/jab.F90.o [ 14%] Building Fortran object CMakeFiles/mopac-core.dir/src/integrals/coe.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/integrals/coe.F90 -o CMakeFiles/mopac-core.dir/src/integrals/coe.F90.o +[ 14%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/densit.F90.o +[ 14%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/linpack.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/matrix/densit.F90 -o CMakeFiles/mopac-core.dir/src/matrix/densit.F90.o [ 14%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/schmib.F90.o /usr/bin/f95 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CMakeFiles/mopac-core.dir/src/matrix/density_for_GPU.F90.o -[ 15%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/mxmt.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/matrix/mxmt.F90 -o CMakeFiles/mopac-core.dir/src/matrix/mxmt.F90.o -[ 15%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/mtxmc.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/matrix/density_for_GPU.F90 -o CMakeFiles/mopac-core.dir/src/matrix/density_for_GPU.F90.o +[ 15%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/mtxmc.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/matrix/mtxmc.F90 -o CMakeFiles/mopac-core.dir/src/matrix/mtxmc.F90.o -[ 15%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/mxv.F90.o +[ 15%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/mxmt.F90.o [ 15%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/mat33.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/matrix/mxv.F90 -o CMakeFiles/mopac-core.dir/src/matrix/mxv.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/matrix/mxmt.F90 -o CMakeFiles/mopac-core.dir/src/matrix/mxmt.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/matrix/mat33.F90 -o CMakeFiles/mopac-core.dir/src/matrix/mat33.F90.o +[ 15%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/mxv.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/matrix/mxv.F90 -o CMakeFiles/mopac-core.dir/src/matrix/mxv.F90.o [ 15%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/diag_for_GPU.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/matrix/diag_for_GPU.F90 -o CMakeFiles/mopac-core.dir/src/matrix/diag_for_GPU.F90.o +[ 15%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/schmit.F90.o [ 15%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/mult_symm_AB.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/matrix/mult_symm_AB.F90 -o CMakeFiles/mopac-core.dir/src/matrix/mult_symm_AB.F90.o -[ 15%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/mtxm.F90.o [ 15%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/supdot.F90.o +[ 15%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/mtxm.F90.o +[ 15%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/mxm.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/matrix/mtxm.F90 -o CMakeFiles/mopac-core.dir/src/matrix/mtxm.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/matrix/supdot.F90 -o CMakeFiles/mopac-core.dir/src/matrix/supdot.F90.o -[ 15%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/schmit.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/matrix/schmit.F90 -o CMakeFiles/mopac-core.dir/src/matrix/schmit.F90.o [ 16%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/rsp.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/matrix/rsp.F90 -o CMakeFiles/mopac-core.dir/src/matrix/rsp.F90.o -[ 16%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/mxm.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/matrix/schmit.F90 -o CMakeFiles/mopac-core.dir/src/matrix/schmit.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/matrix/mxm.F90 -o CMakeFiles/mopac-core.dir/src/matrix/mxm.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/matrix/rsp.F90 -o CMakeFiles/mopac-core.dir/src/matrix/rsp.F90.o [ 16%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/mult.F90.o [ 16%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/dot.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/matrix/mult.F90 -o 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CMakeFiles/mopac-core.dir/src/matrix/mamult.F90.o -[ 17%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/osinv.F90.o +[ 16%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/osinv.F90.o +[ 17%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/mamult.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/matrix/osinv.F90 -o CMakeFiles/mopac-core.dir/src/matrix/osinv.F90.o [ 18%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/ddiag.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/matrix/mamult.F90 -o CMakeFiles/mopac-core.dir/src/matrix/mamult.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/matrix/ddiag.F90 -o CMakeFiles/mopac-core.dir/src/matrix/ddiag.F90.o -[ 18%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/babbcd.F90.o [ 18%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/aabacd.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/meci/aabacd.F90 -o CMakeFiles/mopac-core.dir/src/meci/aabacd.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/meci/babbcd.F90 -o CMakeFiles/mopac-core.dir/src/meci/babbcd.F90.o [ 18%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/diagi.F90.o +[ 18%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/babbcd.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/meci/babbcd.F90 -o CMakeFiles/mopac-core.dir/src/meci/babbcd.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/meci/diagi.F90 -o CMakeFiles/mopac-core.dir/src/meci/diagi.F90.o [ 18%] Building Fortran object CMakeFiles/mopac-core.dir/src/optimization/exchng.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/optimization/exchng.F90 -o CMakeFiles/mopac-core.dir/src/optimization/exchng.F90.o [ 18%] Building Fortran object CMakeFiles/mopac-core.dir/src/output/xxx.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/optimization/exchng.F90 -o CMakeFiles/mopac-core.dir/src/optimization/exchng.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/output/xxx.F90 -o CMakeFiles/mopac-core.dir/src/output/xxx.F90.o [ 19%] Building Fortran object CMakeFiles/mopac-core.dir/src/potentials/genun.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/potentials/genun.F90 -o CMakeFiles/mopac-core.dir/src/potentials/genun.F90.o [ 19%] Building Fortran object CMakeFiles/mopac-core.dir/src/reactions/quadr.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. 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-ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/utilities/upcase.F90 -o CMakeFiles/mopac-core.dir/src/utilities/upcase.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/utilities/reada.F90 -o CMakeFiles/mopac-core.dir/src/utilities/reada.F90.o +/usr/bin/cmake -E cmake_copy_f90_mod common_arrays_c.mod CMakeFiles/mopac-core.dir/common_arrays_c.mod.stamp GNU +/usr/bin/cmake -E cmake_copy_f90_mod reimers_c.mod CMakeFiles/mopac-core.dir/reimers_c.mod.stamp GNU /usr/bin/cmake -E cmake_copy_f90_mod mozyme_c.mod CMakeFiles/mopac-core.dir/mozyme_c.mod.stamp GNU +[ 20%] Building Fortran object CMakeFiles/mopac-core.dir/src/utilities/reada.F90.o /usr/bin/cmake -E cmake_copy_f90_mod param_global_c.mod CMakeFiles/mopac-core.dir/param_global_c.mod.stamp GNU /usr/bin/cmake -E cmake_copy_f90_mod 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CMakeFiles/mopac-core.dir/parameters_for_pm6_sparkles_c.mod.stamp GNU -[ 21%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/parameters_for_PM6_C.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/models/parameters_for_PM6_C.F90 -o CMakeFiles/mopac-core.dir/src/models/parameters_for_PM6_C.F90.o /usr/bin/cmake -E cmake_copy_f90_mod parameters_for_pm7_sparkles_c.mod CMakeFiles/mopac-core.dir/parameters_for_pm7_sparkles_c.mod.stamp GNU +[ 21%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/parameters_for_PM6_C.F90.o [ 21%] 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=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/models/parameters_for_PM6_C.F90 -o CMakeFiles/mopac-core.dir/src/models/parameters_for_PM6_C.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/models/parameters_for_PM6_ORG_C.F90 -o CMakeFiles/mopac-core.dir/src/models/parameters_for_PM6_ORG_C.F90.o /usr/bin/cmake -E cmake_copy_f90_mod parameters_for_rm1_c.mod CMakeFiles/mopac-core.dir/parameters_for_rm1_c.mod.stamp GNU /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 [ 22%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/parameters_for_PM7_C.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/models/parameters_for_PM6_ORG_C.F90 -o CMakeFiles/mopac-core.dir/src/models/parameters_for_PM6_ORG_C.F90.o +/usr/bin/cmake -E cmake_copy_f90_mod parameters_for_mndo_c.mod CMakeFiles/mopac-core.dir/parameters_for_mndo_c.mod.stamp GNU [ 22%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/parameters_for_PM8_C.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/models/parameters_for_PM7_C.F90 -o CMakeFiles/mopac-core.dir/src/models/parameters_for_PM7_C.F90.o [ 22%] 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=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/models/parameters_for_PM7_C.F90 -o CMakeFiles/mopac-core.dir/src/models/parameters_for_PM7_C.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" 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CMakeFiles/mopac-core.dir/symmetry_c.mod.stamp GNU [ 23%] Building Fortran object CMakeFiles/mopac-core.dir/src/solvation/afmm_C.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/solvation/afmm_C.F90 -o CMakeFiles/mopac-core.dir/src/solvation/afmm_C.F90.o [ 23%] Building Fortran object CMakeFiles/mopac-core.dir/src/mopend.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/mopend.F90 -o CMakeFiles/mopac-core.dir/src/mopend.F90.o +[ 23%] Building Fortran object CMakeFiles/mopac-core.dir/src/INDO/excite.F90.o [ 23%] Building Fortran object CMakeFiles/mopac-core.dir/src/INDO/integral.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/INDO/excite.F90 -o CMakeFiles/mopac-core.dir/src/INDO/excite.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/INDO/integral.F90 -o CMakeFiles/mopac-core.dir/src/INDO/integral.F90.o -[ 23%] Building Fortran object CMakeFiles/mopac-core.dir/src/INDO/input.F90.o [ 24%] Building Fortran object CMakeFiles/mopac-core.dir/src/INDO/rci.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/INDO/rci.F90 -o CMakeFiles/mopac-core.dir/src/INDO/rci.F90.o -[ 25%] Building Fortran object CMakeFiles/mopac-core.dir/src/INDO/ovlp.F90.o +[ 24%] Building Fortran object CMakeFiles/mopac-core.dir/src/INDO/cosci.F90.o +[ 24%] Building Fortran object CMakeFiles/mopac-core.dir/src/INDO/input.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/INDO/cosci.F90 -o CMakeFiles/mopac-core.dir/src/INDO/cosci.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/INDO/input.F90 -o CMakeFiles/mopac-core.dir/src/INDO/input.F90.o +[ 25%] Building Fortran object CMakeFiles/mopac-core.dir/src/INDO/ovlp.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/INDO/ovlp.F90 -o CMakeFiles/mopac-core.dir/src/INDO/ovlp.F90.o [ 25%] Building Fortran object CMakeFiles/mopac-core.dir/src/INDO/scf.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/INDO/scf.F90 -o CMakeFiles/mopac-core.dir/src/INDO/scf.F90.o @@ -916,10 +1000,10 @@ [ 28%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/reorth.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/MOZYME/reorth.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/reorth.F90.o [ 28%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/set_up_MOZYME_arrays.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/MOZYME/set_up_MOZYME_arrays.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/set_up_MOZYME_arrays.F90.o +[ 28%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/vecprt_for_MOZYME.F90.o [ 29%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/eimp.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/MOZYME/eimp.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/eimp.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/MOZYME/set_up_MOZYME_arrays.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/set_up_MOZYME_arrays.F90.o -[ 29%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/vecprt_for_MOZYME.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/MOZYME/vecprt_for_MOZYME.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/vecprt_for_MOZYME.F90.o [ 29%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/outer2.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/MOZYME/outer2.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/outer2.F90.o @@ -952,29 +1036,29 @@ [ 32%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/makvec.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/MOZYME/makvec.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/makvec.F90.o [ 32%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/selmos.F90.o -[ 32%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/diagg2.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/MOZYME/selmos.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/selmos.F90.o +[ 32%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/diagg2.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/MOZYME/diagg2.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/diagg2.F90.o [ 33%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/mlmo.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/MOZYME/mlmo.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/mlmo.F90.o [ 33%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/convert_storage.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/MOZYME/convert_storage.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/convert_storage.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/MOZYME/mlmo.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/mlmo.F90.o [ 33%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/outer1.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/MOZYME/outer1.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/outer1.F90.o [ 33%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/diagg1.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/MOZYME/diagg1.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/diagg1.F90.o [ 34%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/adjvec.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/MOZYME/adjvec.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/adjvec.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/MOZYME/diagg1.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/diagg1.F90.o -[ 34%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/getpar.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/PARAM/getpar.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/getpar.F90.o [ 34%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/MOZYME_eigs.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/MOZYME/MOZYME_eigs.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/MOZYME_eigs.F90.o +[ 34%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/getpar.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/PARAM/getpar.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/getpar.F90.o [ 34%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/partab.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/PARAM/partab.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/partab.F90.o -[ 34%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/pardip.F90.o [ 35%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/extract_parameter.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/PARAM/pardip.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/pardip.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/PARAM/extract_parameter.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/extract_parameter.F90.o +[ 35%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/pardip.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/PARAM/pardip.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/pardip.F90.o [ 35%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/psort.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/PARAM/psort.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/psort.F90.o [ 36%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/rapid0.F90.o @@ -997,10 +1081,10 @@ /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/PARAM/rapid2.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/rapid2.F90.o [ 38%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/parfg.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/PARAM/parfg.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/parfg.F90.o +[ 38%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/optgeo.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/PARAM/optgeo.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/optgeo.F90.o [ 39%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/pparsav.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/PARAM/pparsav.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/pparsav.F90.o -[ 39%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/optgeo.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/PARAM/optgeo.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/optgeo.F90.o [ 39%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/finish.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/PARAM/finish.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/finish.F90.o [ 39%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/depfn.F90.o @@ -1016,27 +1100,27 @@ [ 41%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/filusp.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/PARAM/filusp.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/filusp.F90.o [ 41%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/chkpar.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/PARAM/chkpar.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/chkpar.F90.o [ 41%] Building Fortran object CMakeFiles/mopac-core.dir/src/SCF/cnvg.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/PARAM/chkpar.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/chkpar.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/SCF/cnvg.F90 -o CMakeFiles/mopac-core.dir/src/SCF/cnvg.F90.o [ 41%] Building Fortran object CMakeFiles/mopac-core.dir/src/SCF/resolv.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/SCF/resolv.F90 -o CMakeFiles/mopac-core.dir/src/SCF/resolv.F90.o [ 42%] Building Fortran object CMakeFiles/mopac-core.dir/src/SCF/fock2.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/SCF/fock2.F90 -o CMakeFiles/mopac-core.dir/src/SCF/fock2.F90.o [ 42%] Building Fortran object CMakeFiles/mopac-core.dir/src/SCF/swap.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/SCF/swap.F90 -o CMakeFiles/mopac-core.dir/src/SCF/swap.F90.o [ 43%] Building Fortran object CMakeFiles/mopac-core.dir/src/SCF/local.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/SCF/local.F90 -o CMakeFiles/mopac-core.dir/src/SCF/local.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/SCF/swap.F90 -o CMakeFiles/mopac-core.dir/src/SCF/swap.F90.o [ 43%] Building Fortran object CMakeFiles/mopac-core.dir/src/SCF/capcor.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/SCF/local.F90 -o CMakeFiles/mopac-core.dir/src/SCF/local.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/SCF/capcor.F90 -o CMakeFiles/mopac-core.dir/src/SCF/capcor.F90.o [ 43%] Building Fortran object CMakeFiles/mopac-core.dir/src/SCF/iter.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/SCF/iter.F90 -o CMakeFiles/mopac-core.dir/src/SCF/iter.F90.o [ 44%] Building Fortran object CMakeFiles/mopac-core.dir/src/SCF/pulay.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/SCF/pulay.F90 -o CMakeFiles/mopac-core.dir/src/SCF/pulay.F90.o [ 44%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/atomrs.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/chemistry/atomrs.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/atomrs.F90.o [ 44%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/findn1.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/chemistry/findn1.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/findn1.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/chemistry/atomrs.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/atomrs.F90.o [ 45%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/names.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/chemistry/names.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/names.F90.o [ 45%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/reseq.F90.o @@ -1048,16 +1132,16 @@ [ 46%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/geochk_bits_2.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/chemistry/geochk_bits_2.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/geochk_bits_2.F90.o [ 46%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/greek.F90.o -[ 46%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/txtype.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/chemistry/greek.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/greek.F90.o +[ 46%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/txtype.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/chemistry/txtype.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/txtype.F90.o [ 47%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/add_hydrogen_atoms.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/chemistry/add_hydrogen_atoms.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/add_hydrogen_atoms.F90.o [ 47%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/chklew.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/chemistry/chklew.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/chklew.F90.o [ 47%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/nxtmer.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/chemistry/nxtmer.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/nxtmer.F90.o [ 47%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/geochk_bits_1.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/chemistry/nxtmer.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/nxtmer.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/chemistry/geochk_bits_1.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/geochk_bits_1.F90.o [ 48%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/chkion.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/chemistry/chkion.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/chkion.F90.o @@ -1085,10 +1169,10 @@ /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/corrections/disp_DnX.F90 -o CMakeFiles/mopac-core.dir/src/corrections/disp_DnX.F90.o [ 51%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/post_scf_corrections.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/corrections/post_scf_corrections.F90 -o CMakeFiles/mopac-core.dir/src/corrections/post_scf_corrections.F90.o -[ 51%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/H_bond_correction_PM6_DH_Dispersion.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/corrections/H_bond_correction_PM6_DH_Dispersion.F90 -o CMakeFiles/mopac-core.dir/src/corrections/H_bond_correction_PM6_DH_Dispersion.F90.o [ 51%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/H_bond_correction_PM6_DH_type.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/corrections/H_bond_correction_PM6_DH_type.F90 -o CMakeFiles/mopac-core.dir/src/corrections/H_bond_correction_PM6_DH_type.F90.o +[ 51%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/H_bond_correction_PM6_DH_Dispersion.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/corrections/H_bond_correction_PM6_DH_Dispersion.F90 -o CMakeFiles/mopac-core.dir/src/corrections/H_bond_correction_PM6_DH_Dispersion.F90.o [ 52%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/Hydrogen_bond_corrections.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/corrections/Hydrogen_bond_corrections.F90 -o CMakeFiles/mopac-core.dir/src/corrections/Hydrogen_bond_corrections.F90.o [ 52%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/deriv.F90.o @@ -1163,10 +1247,10 @@ /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/input/datin.F90 -o CMakeFiles/mopac-core.dir/src/input/datin.F90.o [ 61%] Building Fortran object CMakeFiles/mopac-core.dir/src/input/getdat.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/input/getdat.F90 -o CMakeFiles/mopac-core.dir/src/input/getdat.F90.o -[ 61%] Building Fortran object CMakeFiles/mopac-core.dir/src/input/getgeo.F90.o [ 61%] Building Fortran object CMakeFiles/mopac-core.dir/src/input/geo_ref.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/input/getgeo.F90 -o CMakeFiles/mopac-core.dir/src/input/getgeo.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/input/geo_ref.F90 -o CMakeFiles/mopac-core.dir/src/input/geo_ref.F90.o +[ 61%] Building Fortran object CMakeFiles/mopac-core.dir/src/input/getgeo.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/input/getgeo.F90 -o CMakeFiles/mopac-core.dir/src/input/getgeo.F90.o [ 62%] Building Fortran object CMakeFiles/mopac-core.dir/src/input/getgeg.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/input/getgeg.F90 -o CMakeFiles/mopac-core.dir/src/input/getgeg.F90.o [ 62%] Building Fortran object CMakeFiles/mopac-core.dir/src/input/wrtkey.F90.o @@ -1177,10 +1261,10 @@ /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/integrals/set.F90 -o CMakeFiles/mopac-core.dir/src/integrals/set.F90.o [ 64%] Building Fortran object CMakeFiles/mopac-core.dir/src/integrals/h1elec.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/integrals/h1elec.F90 -o CMakeFiles/mopac-core.dir/src/integrals/h1elec.F90.o -[ 64%] Building Fortran object CMakeFiles/mopac-core.dir/src/integrals/diat.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/integrals/diat.F90 -o CMakeFiles/mopac-core.dir/src/integrals/diat.F90.o [ 64%] Building Fortran object CMakeFiles/mopac-core.dir/src/integrals/ccrep.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/integrals/ccrep.F90 -o CMakeFiles/mopac-core.dir/src/integrals/ccrep.F90.o +[ 64%] Building Fortran object CMakeFiles/mopac-core.dir/src/integrals/diat.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/integrals/diat.F90 -o CMakeFiles/mopac-core.dir/src/integrals/diat.F90.o [ 65%] Building Fortran object CMakeFiles/mopac-core.dir/src/integrals/hcore.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/integrals/hcore.F90 -o CMakeFiles/mopac-core.dir/src/integrals/hcore.F90.o [ 65%] Building Fortran object CMakeFiles/mopac-core.dir/src/integrals/rotate.F90.o @@ -1200,24 +1284,24 @@ [ 69%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/interp.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/matrix/interp.F90 -o CMakeFiles/mopac-core.dir/src/matrix/interp.F90.o [ 70%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/eigenvectors_LAPACK.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/matrix/eigenvectors_LAPACK.F90 -o CMakeFiles/mopac-core.dir/src/matrix/eigenvectors_LAPACK.F90.o [ 71%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/molval.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/matrix/molval.F90 -o CMakeFiles/mopac-core.dir/src/matrix/molval.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/matrix/eigenvectors_LAPACK.F90 -o CMakeFiles/mopac-core.dir/src/matrix/eigenvectors_LAPACK.F90.o [ 71%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/diag.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/matrix/diag.F90 -o CMakeFiles/mopac-core.dir/src/matrix/diag.F90.o [ 71%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/mecid.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/meci/mecid.F90 -o CMakeFiles/mopac-core.dir/src/meci/mecid.F90.o [ 71%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/babbbc.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/meci/babbbc.F90 -o CMakeFiles/mopac-core.dir/src/meci/babbbc.F90.o +[ 71%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/mecip.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/meci/mecip.F90 -o CMakeFiles/mopac-core.dir/src/meci/mecip.F90.o [ 72%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/partxy.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/meci/partxy.F90 -o CMakeFiles/mopac-core.dir/src/meci/partxy.F90.o -[ 72%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/mecip.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/meci/mecip.F90 -o CMakeFiles/mopac-core.dir/src/meci/mecip.F90.o [ 72%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/aababc.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/meci/aababc.F90 -o CMakeFiles/mopac-core.dir/src/meci/aababc.F90.o [ 73%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/aabbcd.F90.o -[ 73%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/perm.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/meci/aabbcd.F90 -o CMakeFiles/mopac-core.dir/src/meci/aabbcd.F90.o +[ 73%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/perm.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/meci/perm.F90 -o CMakeFiles/mopac-core.dir/src/meci/perm.F90.o [ 74%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/ijkl.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/meci/ijkl.F90 -o CMakeFiles/mopac-core.dir/src/meci/ijkl.F90.o @@ -1225,12 +1309,12 @@ /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/meci/meci.F90 -o CMakeFiles/mopac-core.dir/src/meci/meci.F90.o [ 74%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/formxy.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/meci/formxy.F90 -o CMakeFiles/mopac-core.dir/src/meci/formxy.F90.o -[ 75%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/mecih.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/meci/mecih.F90 -o CMakeFiles/mopac-core.dir/src/meci/mecih.F90.o -[ 75%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/ciosci.F90.o +[ 74%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/ciosci.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/meci/ciosci.F90 -o CMakeFiles/mopac-core.dir/src/meci/ciosci.F90.o +[ 75%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/mecih.F90.o [ 76%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/alpb_and_xfac_mndod.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/models/alpb_and_xfac_mndod.F90 -o CMakeFiles/mopac-core.dir/src/models/alpb_and_xfac_mndod.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/meci/mecih.F90 -o CMakeFiles/mopac-core.dir/src/meci/mecih.F90.o [ 76%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/refer.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/models/refer.F90 -o CMakeFiles/mopac-core.dir/src/models/refer.F90.o [ 76%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/alpb_and_xfac_mndo.F90.o @@ -1284,12 +1368,12 @@ [ 82%] Building Fortran object CMakeFiles/mopac-core.dir/src/output/denrot.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/output/denrot.F90 -o CMakeFiles/mopac-core.dir/src/output/denrot.F90.o [ 82%] Building Fortran object CMakeFiles/mopac-core.dir/src/output/geoutg.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/output/geoutg.F90 -o CMakeFiles/mopac-core.dir/src/output/geoutg.F90.o [ 83%] Building Fortran object CMakeFiles/mopac-core.dir/src/output/pinout.F90.o -[ 82%] Building Fortran object CMakeFiles/mopac-core.dir/src/output/output_rama.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/output/pinout.F90 -o CMakeFiles/mopac-core.dir/src/output/pinout.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/output/output_rama.F90 -o CMakeFiles/mopac-core.dir/src/output/output_rama.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/output/geoutg.F90 -o CMakeFiles/mopac-core.dir/src/output/geoutg.F90.o +[ 83%] Building Fortran object CMakeFiles/mopac-core.dir/src/output/output_rama.F90.o [ 83%] Building Fortran object CMakeFiles/mopac-core.dir/src/potentials/setupg.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/output/output_rama.F90 -o CMakeFiles/mopac-core.dir/src/output/output_rama.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/potentials/setupg.F90 -o CMakeFiles/mopac-core.dir/src/potentials/setupg.F90.o [ 83%] Building Fortran object CMakeFiles/mopac-core.dir/src/potentials/pmep.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/potentials/pmep.F90 -o CMakeFiles/mopac-core.dir/src/potentials/pmep.F90.o @@ -1317,12 +1401,12 @@ /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/properties/chrge.F90 -o CMakeFiles/mopac-core.dir/src/properties/chrge.F90.o [ 88%] Building Fortran object CMakeFiles/mopac-core.dir/src/reactions/pathk.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/reactions/pathk.F90 -o CMakeFiles/mopac-core.dir/src/reactions/pathk.F90.o -[ 88%] Building Fortran object CMakeFiles/mopac-core.dir/src/reactions/react1.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/reactions/react1.F90 -o CMakeFiles/mopac-core.dir/src/reactions/react1.F90.o [ 88%] Building Fortran object CMakeFiles/mopac-core.dir/src/reactions/paths.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/reactions/paths.F90 -o CMakeFiles/mopac-core.dir/src/reactions/paths.F90.o +[ 88%] Building Fortran object CMakeFiles/mopac-core.dir/src/reactions/react1.F90.o [ 88%] Building Fortran object CMakeFiles/mopac-core.dir/src/reactions/write_trajectory.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/reactions/write_trajectory.F90 -o CMakeFiles/mopac-core.dir/src/reactions/write_trajectory.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/reactions/react1.F90 -o CMakeFiles/mopac-core.dir/src/reactions/react1.F90.o [ 88%] Building Fortran object CMakeFiles/mopac-core.dir/src/reactions/grid.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/reactions/grid.F90 -o CMakeFiles/mopac-core.dir/src/reactions/grid.F90.o [ 88%] Building Fortran object CMakeFiles/mopac-core.dir/src/reactions/set_up_RAPID.F90.o @@ -1342,8 +1426,8 @@ [ 90%] Building Fortran object CMakeFiles/mopac-core.dir/src/solvation/cosmo.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/solvation/cosmo.F90 -o CMakeFiles/mopac-core.dir/src/solvation/cosmo.F90.o [ 91%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/dtrans.F90.o -[ 91%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/symh.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/symmetry/dtrans.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/dtrans.F90.o +[ 91%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/symh.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/symmetry/symh.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/symh.F90.o [ 92%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/symt.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/symmetry/symt.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/symt.F90.o @@ -1364,8 +1448,8 @@ [ 94%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/symr.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/symmetry/symr.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/symr.F90.o [ 95%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/charvi.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/symmetry/charvi.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/charvi.F90.o [ 95%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/maksym.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/symmetry/charvi.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/charvi.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/symmetry/maksym.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/maksym.F90.o [ 95%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/charmo.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/symmetry/charmo.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/charmo.F90.o @@ -1431,18 +1515,14 @@ /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/symmetry/symmetry_C.F90.o.provides.build [ 97%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/charst.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/symmetry/charst.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/charst.F90.o -[ 97%] Building Fortran object CMakeFiles/mopac-core.dir/src/setup_mopac_arrays.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/setup_mopac_arrays.F90 -o CMakeFiles/mopac-core.dir/src/setup_mopac_arrays.F90.o [ 98%] Building Fortran object CMakeFiles/mopac-core.dir/src/run_mopac.F90.o +[ 98%] Building Fortran object CMakeFiles/mopac-core.dir/src/setup_mopac_arrays.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/run_mopac.F90 -o CMakeFiles/mopac-core.dir/src/run_mopac.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/setup_mopac_arrays.F90 -o CMakeFiles/mopac-core.dir/src/setup_mopac_arrays.F90.o [ 99%] Building Fortran object CMakeFiles/mopac-core.dir/src/run_param.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/run_param.F90 -o CMakeFiles/mopac-core.dir/src/run_param.F90.o [ 99%] Building Fortran object CMakeFiles/mopac-core.dir/src/moldat.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/moldat.F90 -o CMakeFiles/mopac-core.dir/src/moldat.F90.o -[ 99%] Building Fortran object CMakeFiles/mopac-core.dir/src/INDO/excite.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/INDO/excite.F90 -o CMakeFiles/mopac-core.dir/src/INDO/excite.F90.o -[ 99%] Building Fortran object CMakeFiles/mopac-core.dir/src/INDO/cosci.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/INDO/cosci.F90 -o CMakeFiles/mopac-core.dir/src/INDO/cosci.F90.o [ 99%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/switch.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/models/switch.F90 -o CMakeFiles/mopac-core.dir/src/models/switch.F90.o /usr/bin/cmake -E cmake_copy_f90_mod radii_c.mod CMakeFiles/mopac-core.dir/radii_c.mod.stamp GNU @@ -1453,31 +1533,31 @@ /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/models/parameters_for_PM8_C.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/properties/CPE_Energy.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/solvation/afmm_C.F90.o.provides.build -/usr/bin/cmake -E cmake_copy_f90_mod orient_water_c.mod CMakeFiles/mopac-core.dir/orient_water_c.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/corrections/H_bonds4.F90.o.provides.build -/usr/bin/cmake -E cmake_copy_f90_mod saxpy_i.mod CMakeFiles/mopac-core.dir/saxpy_i.mod.stamp GNU [ 99%] Building Fortran object CMakeFiles/mopac-core.dir/src/solvation/linear_cosmo.F90.o -/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/chemistry/orient_water.F90.o.provides.build /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/solvation/linear_cosmo.F90 -o CMakeFiles/mopac-core.dir/src/solvation/linear_cosmo.F90.o +/usr/bin/cmake -E cmake_copy_f90_mod saxpy_i.mod CMakeFiles/mopac-core.dir/saxpy_i.mod.stamp GNU +/usr/bin/cmake -E cmake_copy_f90_mod scopy_i.mod CMakeFiles/mopac-core.dir/scopy_i.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/matrix/esp_utilities.F90.o.provides.build +/usr/bin/cmake -E cmake_copy_f90_mod 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 get_det.mod CMakeFiles/mopac-core.dir/get_det.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/symmetry/charst.F90.o.provides.build /usr/bin/cmake -E cmake_copy_f90_mod 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 [ 99%] Building Fortran object CMakeFiles/mopac-core.dir/src/compfg.F90.o -[ 99%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/fock2z.F90.o -[ 99%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/hcore_for_MOZYME.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/compfg.F90 -o CMakeFiles/mopac-core.dir/src/compfg.F90.o -[ 99%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/iter_for_MOZYME.F90.o +[ 99%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/fock2z.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/MOZYME/fock2z.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/fock2z.F90.o +[ 99%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/iter_for_MOZYME.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/MOZYME/iter_for_MOZYME.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/iter_for_MOZYME.F90.o -[ 99%] Building Fortran object CMakeFiles/mopac-core.dir/src/output/prtpka.F90.o -[ 99%] Building Fortran object CMakeFiles/mopac-core.dir/src/output/writmo.F90.o +[ 99%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/hcore_for_MOZYME.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/MOZYME/hcore_for_MOZYME.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/hcore_for_MOZYME.F90.o +[ 99%] Building Fortran object CMakeFiles/mopac-core.dir/src/output/prtpka.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/output/prtpka.F90 -o CMakeFiles/mopac-core.dir/src/output/prtpka.F90.o +[ 99%] Building Fortran object CMakeFiles/mopac-core.dir/src/output/writmo.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.0.6\" -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/output/writmo.F90 -o CMakeFiles/mopac-core.dir/src/output/writmo.F90.o -/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/solvation/linear_cosmo.F90.o.provides.build [ 99%] Linking Fortran static library libmopac.a /usr/bin/cmake -P CMakeFiles/mopac-core.dir/cmake_clean_target.cmake /usr/bin/cmake -E cmake_link_script CMakeFiles/mopac-core.dir/link.txt --verbose=1 @@ -1491,15 +1571,15 @@ make -f CMakeFiles/mopac-param.dir/build.make CMakeFiles/mopac-param.dir/depend make[3]: Entering directory '/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu' cd /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/mopac-22.0.6+dfsg /build/mopac-22.0.6+dfsg /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/CMakeFiles/mopac-param.dir/DependInfo.cmake --color= +Dependee "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/CMakeFiles/mopac-param.dir/DependInfo.cmake" is newer than depender "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/CMakeFiles/mopac-param.dir/depend.internal". +Dependee "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/CMakeFiles/mopac-param.dir/depend.internal". +Scanning dependencies of target mopac-param Dependee "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/CMakeFiles/mopac.dir/DependInfo.cmake" is newer than depender "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/CMakeFiles/mopac.dir/depend.internal". Dependee "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/CMakeFiles/mopac.dir/depend.internal". Scanning dependencies of target mopac make[3]: Leaving directory '/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu' -make -f CMakeFiles/mopac.dir/build.make CMakeFiles/mopac.dir/build -Dependee "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/CMakeFiles/mopac-param.dir/DependInfo.cmake" is newer than depender "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/CMakeFiles/mopac-param.dir/depend.internal". -Dependee "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/CMakeFiles/mopac-param.dir/depend.internal". -Scanning dependencies of target mopac-param make[3]: Leaving directory '/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu' +make -f CMakeFiles/mopac.dir/build.make CMakeFiles/mopac.dir/build make[3]: Entering directory '/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu' make -f CMakeFiles/mopac-param.dir/build.make CMakeFiles/mopac-param.dir/build make[3]: Entering directory '/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu' @@ -1507,24 +1587,24 @@ /usr/bin/f95 -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/mopac.F90 -o CMakeFiles/mopac.dir/src/mopac.F90.o [ 99%] Building Fortran object CMakeFiles/mopac-param.dir/src/param.F90.o /usr/bin/f95 -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong -fopenmp -c /build/mopac-22.0.6+dfsg/src/param.F90 -o CMakeFiles/mopac-param.dir/src/param.F90.o -[ 99%] Linking Fortran executable mopac -/usr/bin/cmake -E cmake_link_script CMakeFiles/mopac.dir/link.txt --verbose=1 -/usr/bin/f95 -Wl,-z,relro -fopenmp -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong 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 [100%] Linking Fortran executable mopac-param /usr/bin/cmake -E cmake_link_script CMakeFiles/mopac-param.dir/link.txt --verbose=1 +[100%] Linking Fortran executable mopac +/usr/bin/cmake -E cmake_link_script CMakeFiles/mopac.dir/link.txt --verbose=1 /usr/bin/f95 -Wl,-z,relro -fopenmp -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong "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/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu' -[100%] Built target mopac +/usr/bin/f95 -Wl,-z,relro -fopenmp -g -O2 -ffile-prefix-map=/build/mopac-22.0.6+dfsg=. -fstack-protector-strong 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/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu' [100%] Built target mopac-param +make[3]: Leaving directory '/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu' +[100%] Built target mopac make[2]: Leaving directory '/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu' /usr/bin/cmake -E cmake_progress_start /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/CMakeFiles 0 make[1]: Leaving directory '/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu' dh_auto_test - cd obj-x86_64-linux-gnu && make -j15 test ARGS\+=--verbose ARGS\+=-j15 + cd obj-x86_64-linux-gnu && make -j16 test ARGS\+=--verbose ARGS\+=-j16 make[1]: Entering directory '/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu' Running tests... -/usr/bin/ctest --force-new-ctest-process --verbose -j15 +/usr/bin/ctest --force-new-ctest-process --verbose -j16 UpdateCTestConfiguration from :/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/DartConfiguration.tcl UpdateCTestConfiguration from :/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/DartConfiguration.tcl Test project /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu @@ -1624,146 +1704,217 @@ 14: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "Au_Add-H.mop" 14: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests 14: Test timeout computed to be: 10000000 -1: Thu Jun 1 17:21:22 2023 Job: 'port' started successfully -4: Thu Jun 1 17:21:22 2023 Job: 'Test_XENO' started successfully -4: -4: -4: MOPAC Job: "Test_XENO.mop" ended normally on Jun 1, 2023, at 17:21. -4: -13: Thu Jun 1 17:21:22 2023 Job: 'ADD-H_Bacteriorhodopsin_1AT9' started successfully -8: Thu Jun 1 17:21:22 2023 Job: 'Check_that_TERs_are_preserved' started successfully -2: Thu Jun 1 17:21:22 2023 Job: 'Crambin_1SCF' started successfully -7: Thu Jun 1 17:21:22 2023 Job: 'convert_an_un-edited_PDB_file' started successfully -8: -8: -8: MOPAC Job: "Check_that_TERs_are_preserved.mop" ended normally on Jun 1, 2023, at 17:21. -8: -7: -7: -7: MOPAC Job: "convert_an_un-edited_PDB_file.mop" ended normally on Jun 1, 2023, at 17:21. -7: -6: Thu Jun 1 17:21:22 2023 Job: 'convert_an_edited_PDB_file' started successfully -23: Thu Jun 1 17:21:22 2023 Job: 'IONIZE' started successfully -10: Thu Jun 1 17:21:22 2023 Job: 'PDB1CBN.ent' started successfully -14: Thu Jun 1 17:21:22 2023 Job: 'Au_Add-H' started successfully -12: Thu Jun 1 17:21:22 2023 Job: 'ADD-H_Bacteriorhodopsin_1AP9' started successfully -9: Thu Jun 1 17:21:22 2023 Job: 'Compare_two_protein_structures' started successfully -5: Thu Jun 1 17:21:22 2023 Job: 'Test_Hetero_group' started successfully -6: -6: -6: MOPAC Job: "convert_an_edited_PDB_file.mop" ended normally on Jun 1, 2023, at 17:21. -6: -9: -9: -9: MOPAC Job: "Compare_two_protein_structures.mop" ended normally on Jun 1, 2023, at 17:21. -9: -9: WARNING: numerical mismatch between 0.5 on reference line 54 in /build/mopac-22.0.6+dfsg/tests and -0.5 on output line 54 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac - 1/118 Test #7: convert_unedited_pdb ............. Passed 0.84 sec test 22 Start 22: locate_ts 22: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "Locate_TS.mop" "Cyclobutadiene_1.arc" "Cyclobutadiene_2.arc" 22: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests 22: Test timeout computed to be: 10000000 -11: Thu Jun 1 17:21:23 2023 Job: 'PDB1EJG.ent' started successfully - 2/118 Test #9: compare_proteins ................. Passed 0.89 sec +9: Fri Jul 5 01:48:40 2024 Job: 'Compare_two_protein_structures' started successfully +9: +9: +9: MOPAC Job: "Compare_two_protein_structures.mop" ended normally on Jul 5, 2024, at 01:48. +9: +9: WARNING: numerical mismatch between 0.5 on reference line 54 in /build/mopac-22.0.6+dfsg/tests and -0.5 on output line 54 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: Fri Jul 5 01:48:40 2024 Job: 'port' started successfully +7: Fri Jul 5 01:48:40 2024 Job: 'convert_an_un-edited_PDB_file' started successfully +2: Fri Jul 5 01:48:40 2024 Job: 'Crambin_1SCF' started successfully +4: Fri Jul 5 01:48:40 2024 Job: 'Test_XENO' started successfully +8: Fri Jul 5 01:48:40 2024 Job: 'Check_that_TERs_are_preserved' started successfully +11: Fri Jul 5 01:48:40 2024 Job: 'PDB1EJG.ent' started successfully +12: Fri Jul 5 01:48:40 2024 Job: 'ADD-H_Bacteriorhodopsin_1AP9' started successfully +7: +7: +7: MOPAC Job: "convert_an_un-edited_PDB_file.mop" ended normally on Jul 5, 2024, at 01:48. +7: +4: +4: +4: MOPAC Job: "Test_XENO.mop" ended normally on Jul 5, 2024, at 01:48. +4: +8: +8: +8: MOPAC Job: "Check_that_TERs_are_preserved.mop" ended normally on Jul 5, 2024, at 01:48. +8: + 1/118 Test #9: compare_proteins ................. Passed 0.78 sec test 25 Start 25: salt2 25: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "SALT_2.mop" 25: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests 25: Test timeout computed to be: 10000000 - 3/118 Test #4: xeno ............................. Passed 0.99 sec +10: Fri Jul 5 01:48:41 2024 Job: 'PDB1CBN.ent' started successfully +13: Fri Jul 5 01:48:41 2024 Job: 'ADD-H_Bacteriorhodopsin_1AT9' started successfully +5: Fri Jul 5 01:48:41 2024 Job: 'Test_Hetero_group' started successfully +11: +11: +11: MOPAC Job: "PDB1EJG.ent" ended normally on Jul 5, 2024, at 01:48. +11: +6: Fri Jul 5 01:48:41 2024 Job: 'convert_an_edited_PDB_file' started successfully +23: Fri Jul 5 01:48:41 2024 Job: 'IONIZE' started successfully +6: +6: +6: MOPAC Job: "convert_an_edited_PDB_file.mop" ended normally on Jul 5, 2024, at 01:48. +6: + 2/118 Test #7: convert_unedited_pdb ............. Passed 1.16 sec test 27 Start 27: erratic-1 27: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "erratic1.mop" 27: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests 27: Test timeout computed to be: 10000000 +10: 5: 5: -5: MOPAC Job: "Test_Hetero_group.mop" ended normally on Jun 1, 2023, at 17:21. +5: MOPAC Job: "Test_Hetero_group.mop" ended normally on Jul 5, 2024, at 01:48. 5: - 4/118 Test #8: ters_preserved ................... Passed 1.01 sec +14: Fri Jul 5 01:48:41 2024 Job: 'Au_Add-H' started successfully +10: +10: MOPAC Job: "PDB1CBN.ent" ended normally on Jul 5, 2024, at 01:48. +10: + 3/118 Test #4: xeno ............................. Passed 1.49 sec test 28 Start 28: erratic-2 28: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "erratic2.mop" 28: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests 28: Test timeout computed to be: 10000000 -10: -10: -10: MOPAC Job: "PDB1CBN.ent" ended normally on Jun 1, 2023, at 17:21. -10: -11: -11: -11: MOPAC Job: "PDB1EJG.ent" ended normally on Jun 1, 2023, at 17:21. -11: -14: -14: -14: MOPAC Job: "Au_Add-H.mop" ended normally on Jun 1, 2023, at 17:21. -14: - 5/118 Test #6: convert_edited_pdb ............... Passed 1.56 sec + 4/118 Test #8: ters_preserved ................... Passed 1.42 sec test 29 Start 29: ag20 29: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/INDO-dev" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "ag20.mop" 29: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/INDO-dev 29: Test timeout computed to be: 10000000 - 6/118 Test #5: hetero_group ..................... Passed 1.61 sec +25: +25: +25: MOPAC Job: "SALT_2.mop" ended normally on Jul 5, 2024, at 01:48. +25: + 5/118 Test #25: salt2 ............................ Passed 0.92 sec test 30 Start 30: ag20_cis_active 30: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/INDO-dev" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "ag20_cis_active.mop" 30: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/INDO-dev 30: Test timeout computed to be: 10000000 -28: Thu Jun 1 17:21:23 2023 Job: 'erratic2' started successfully -25: -25: -25: MOPAC Job: "SALT_2.mop" ended normally on Jun 1, 2023, at 17:21. -25: - 7/118 Test #25: salt2 ............................ Passed 1.02 sec + 6/118 Test #5: hetero_group ..................... Passed 1.93 sec test 31 Start 31: benzene 31: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/INDO-dev" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "benzene.mop" 31: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/INDO-dev 31: Test timeout computed to be: 10000000 + 7/118 Test #6: convert_edited_pdb ............... Passed 1.95 sec +test 32 + Start 32: co_cas + +32: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/INDO-dev" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "co_cas.mop" +32: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/INDO-dev +32: Test timeout computed to be: 10000000 +28: Fri Jul 5 01:48:42 2024 Job: 'erratic2' started successfully +14: +14: +14: MOPAC Job: "Au_Add-H.mop" ended normally on Jul 5, 2024, at 01:48. +14: +3: Fri Jul 5 01:48:42 2024 Job: 'test_Lewis_for_Proteins' started successfully + 8/118 Test #11: pdb1ejg .......................... Passed 2.27 sec +test 33 + Start 33: co_cis + +33: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/INDO-dev" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "co_cis.mop" +33: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/INDO-dev +33: Test timeout computed to be: 10000000 +22: +22: +22: MOPAC Job: "Locate_TS.mop" ended normally on Jul 5, 2024, at 01:48. +22: + 9/118 Test #10: pdb1cbn .......................... Passed 2.85 sec +test 15 + Start 15: compare_add-h + +15: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "Compare_ADD-H_1EJG_and_1CBN.mop" +15: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests +15: Test timeout computed to be: 10000000 23: 23: -23: MOPAC Job: "IONIZE.mop" ended normally on Jun 1, 2023, at 17:21. +23: MOPAC Job: "IONIZE.mop" ended normally on Jul 5, 2024, at 01:48. 23: - 8/118 Test #23: ionize ........................... Passed 2.40 sec +13: +13: +13: MOPAC Job: "ADD-H_Bacteriorhodopsin_1AT9.mop" ended normally on Jul 5, 2024, at 01:48. +13: +33: +33: +33: MOPAC Job: "co_cis.mop" ended normally on Jul 5, 2024, at 01:48. +33: +32: +32: +32: MOPAC Job: "co_cas.mop" ended normally on Jul 5, 2024, at 01:48. +32: +22: WARNING: numerical mismatch between 32.296 on reference line 106 in /build/mopac-22.0.6+dfsg/tests and 32.295 on output line 106 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +22: WARNING: numerical mismatch between 32.296 on reference line 107 in /build/mopac-22.0.6+dfsg/tests and 32.295 on output line 107 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +22: WARNING: numerical mismatch between 49.948 on reference line 165 in /build/mopac-22.0.6+dfsg/tests and 49.947 on output line 165 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +22: WARNING: numerical mismatch between 50.075 on reference line 166 in /build/mopac-22.0.6+dfsg/tests and 50.074 on output line 166 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +22: WARNING: numerical mismatch between 55.867 on reference line 231 in /build/mopac-22.0.6+dfsg/tests and 55.866 on output line 231 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +22: WARNING: numerical mismatch between 55.88 on reference line 232 in /build/mopac-22.0.6+dfsg/tests and 55.879 on output line 232 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +22: WARNING: numerical mismatch between 63.184 on reference line 298 in /build/mopac-22.0.6+dfsg/tests and 63.183 on output line 298 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +22: WARNING: numerical mismatch between 63.01 on reference line 299 in /build/mopac-22.0.6+dfsg/tests and 63.009 on output line 299 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +22: WARNING: numerical mismatch between 61.366 on reference line 369 in /build/mopac-22.0.6+dfsg/tests and 61.365 on output line 369 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +22: WARNING: numerical mismatch between 62.252 on reference line 370 in /build/mopac-22.0.6+dfsg/tests and 62.251 on output line 370 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +22: WARNING: numerical heat mismatch between 71.60897 on reference line 508 in /build/mopac-22.0.6+dfsg/tests and 71.60806 on output line 508 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +22: WARNING: numerical mismatch between 299.61194 on reference line 508 in /build/mopac-22.0.6+dfsg/tests and 299.60814 on output line 508 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac + 10/118 Test #23: ionize ........................... Passed 2.99 sec +test 16 + Start 16: pdb_compare + +16: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "Compare_PDB_1EJG_and_1CBN.mop" +16: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests +16: Test timeout computed to be: 10000000 + 11/118 Test #33: co_cis ........................... Passed 0.80 sec test 24 Start 24: salt 24: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "SALT.mop" 24: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests 24: Test timeout computed to be: 10000000 - 9/118 Test #11: pdb1ejg .......................... Passed 2.52 sec + 12/118 Test #22: locate_ts ........................ Passed 2.85 sec test 26 Start 26: residues 26: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "SITE_Individual_residues.mop" 26: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests 26: Test timeout computed to be: 10000000 - 10/118 Test #10: pdb1cbn .......................... Passed 2.55 sec -test 15 - Start 15: compare_add-h + 13/118 Test #32: co_cas ........................... Passed 1.10 sec +test 34 + Start 34: co_cis_2 -15: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "Compare_ADD-H_1EJG_and_1CBN.mop" -15: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests -15: Test timeout computed to be: 10000000 -13: -13: -13: MOPAC Job: "ADD-H_Bacteriorhodopsin_1AT9.mop" ended normally on Jun 1, 2023, at 17:21. -13: -3: Thu Jun 1 17:21:24 2023 Job: 'test_Lewis_for_Proteins' started successfully -22: -22: -22: MOPAC Job: "Locate_TS.mop" ended normally on Jun 1, 2023, at 17:21. -22: -15: Thu Jun 1 17:21:25 2023 Job: 'Compare_ADD-H_1EJG_and_1CBN' started successfully +34: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/INDO-dev" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "co_cis_2.mop" +34: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/INDO-dev +34: Test timeout computed to be: 10000000 +15: Fri Jul 5 01:48:43 2024 Job: 'Compare_ADD-H_1EJG_and_1CBN' started successfully +31: +31: +31: MOPAC Job: "benzene.mop" ended normally on Jul 5, 2024, at 01:48. +31: +12: +12: +12: MOPAC Job: "ADD-H_Bacteriorhodopsin_1AP9.mop" ended normally on Jul 5, 2024, at 01:48. +12: +29: +29: +29: MOPAC Job: "ag20.mop" ended normally on Jul 5, 2024, at 01:48. +29: +24: Fri Jul 5 01:48:43 2024 Job: 'SALT' started successfully +26: Fri Jul 5 01:48:43 2024 Job: 'SITE_Individual_residues' started successfully +16: Fri Jul 5 01:48:43 2024 Job: 'Compare_PDB_1EJG_and_1CBN' started successfully +29: WARNING: numerical heat mismatch between -265051.48247 on reference line 6347 in /build/mopac-22.0.6+dfsg/tests/INDO-dev and -265051.70002 on output line 6352 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +29: WARNING: numerical mismatch between -1108975.40267 on reference line 6347 in /build/mopac-22.0.6+dfsg/tests/INDO-dev and -1108976.31288 on output line 6352 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac + 14/118 Test #31: benzene .......................... Passed 1.94 sec +test 35 + Start 35: co_cis_PM7 + +35: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/INDO-dev" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "co_cis_PM7.mop" +35: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/INDO-dev +35: Test timeout computed to be: 10000000 14: WARNING: numerical mismatch between -19.37934193 on reference line 2751 in /build/mopac-22.0.6+dfsg/tests and -19.3790855 on output line 2751 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 14: WARNING: numerical mismatch between 3.47725034 on reference line 2751 in /build/mopac-22.0.6+dfsg/tests and 3.47770677 on output line 2751 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 14: WARNING: numerical mismatch between -0.49584639 on reference line 2752 in /build/mopac-22.0.6+dfsg/tests and -0.49570987 on output line 2752 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac @@ -1807,45 +1958,46 @@ 14: WARNING: numerical mismatch between -27.8941584 on reference line 2773 in /build/mopac-22.0.6+dfsg/tests and -27.92363514 on output line 2773 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 14: WARNING: numerical mismatch between -5.87755073 on reference line 2773 in /build/mopac-22.0.6+dfsg/tests and -5.91353847 on output line 2773 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 14: WARNING: numerical mismatch between -11.42524612 on reference line 2773 in /build/mopac-22.0.6+dfsg/tests and -11.42786521 on output line 2773 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -28.52594261 on reference line 2775 in /build/mopac-22.0.6+dfsg/tests and -28.52629705 on output line 2775 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -5.03269552 on reference line 2775 in /build/mopac-22.0.6+dfsg/tests and -5.03194167 on output line 2775 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -4.676862 on reference line 2775 in /build/mopac-22.0.6+dfsg/tests and -4.67696511 on output line 2775 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -29.17725671 on reference line 2776 in /build/mopac-22.0.6+dfsg/tests and -29.16466856 on output line 2776 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -4.34177525 on reference line 2776 in /build/mopac-22.0.6+dfsg/tests and -4.32613286 on output line 2776 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -3.30948779 on reference line 2776 in /build/mopac-22.0.6+dfsg/tests and -3.33045848 on output line 2776 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -28.52594261 on reference line 2775 in /build/mopac-22.0.6+dfsg/tests and -28.52632724 on output line 2775 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -5.03269552 on reference line 2775 in /build/mopac-22.0.6+dfsg/tests and -5.0315878 on output line 2775 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -29.17725671 on reference line 2776 in /build/mopac-22.0.6+dfsg/tests and -29.18234054 on output line 2776 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -4.34177525 on reference line 2776 in /build/mopac-22.0.6+dfsg/tests and -4.32519077 on output line 2776 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -3.30948779 on reference line 2776 in /build/mopac-22.0.6+dfsg/tests and -3.33728454 on output line 2776 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 14: WARNING: numerical mismatch between -15.99002071 on reference line 2778 in /build/mopac-22.0.6+dfsg/tests and -15.99017871 on output line 2778 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 14: WARNING: numerical mismatch between -1.65693934 on reference line 2778 in /build/mopac-22.0.6+dfsg/tests and -1.65748333 on output line 2778 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 14: WARNING: numerical mismatch between -1.05038686 on reference line 2778 in /build/mopac-22.0.6+dfsg/tests and -1.05065339 on output line 2778 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 14: WARNING: numerical mismatch between -16.14160435 on reference line 2779 in /build/mopac-22.0.6+dfsg/tests and -16.14210843 on output line 2779 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 14: WARNING: numerical mismatch between -1.35087064 on reference line 2779 in /build/mopac-22.0.6+dfsg/tests and -1.35290533 on output line 2779 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 14: WARNING: numerical mismatch between 0.50580626 on reference line 2779 in /build/mopac-22.0.6+dfsg/tests and 0.50792332 on output line 2779 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 9.78767223 on reference line 2781 in /build/mopac-22.0.6+dfsg/tests and 9.78959555 on output line 2781 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -4.17844541 on reference line 2781 in /build/mopac-22.0.6+dfsg/tests and -4.17820692 on output line 2781 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 9.78767223 on reference line 2781 in /build/mopac-22.0.6+dfsg/tests and 9.78959553 on output line 2781 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -4.17844541 on reference line 2781 in /build/mopac-22.0.6+dfsg/tests and -4.17820695 on output line 2781 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 14: WARNING: numerical mismatch between -13.84574872 on reference line 2782 in /build/mopac-22.0.6+dfsg/tests and -13.83630278 on output line 2782 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 14: WARNING: numerical mismatch between 10.47451938 on reference line 2782 in /build/mopac-22.0.6+dfsg/tests and 10.49994546 on output line 2782 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -4.76767368 on reference line 2782 in /build/mopac-22.0.6+dfsg/tests and -4.80154361 on output line 2782 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -4.76767368 on reference line 2782 in /build/mopac-22.0.6+dfsg/tests and -4.8015436 on output line 2782 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 14: WARNING: numerical mismatch between -24.43292173 on reference line 2784 in /build/mopac-22.0.6+dfsg/tests and -24.43221833 on output line 2784 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 14: WARNING: numerical mismatch between 0.81982938 on reference line 2784 in /build/mopac-22.0.6+dfsg/tests and 0.81997817 on output line 2784 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 14: WARNING: numerical mismatch between -4.25416643 on reference line 2784 in /build/mopac-22.0.6+dfsg/tests and -4.25475252 on output line 2784 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 14: WARNING: numerical mismatch between -25.89696467 on reference line 2785 in /build/mopac-22.0.6+dfsg/tests and -25.85300382 on output line 2785 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 14: WARNING: numerical mismatch between 0.8842489 on reference line 2785 in /build/mopac-22.0.6+dfsg/tests and 0.92973426 on output line 2785 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 14: WARNING: numerical mismatch between -4.73848162 on reference line 2785 in /build/mopac-22.0.6+dfsg/tests and -4.6639181 on output line 2785 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 10.35659844 on reference line 2787 in /build/mopac-22.0.6+dfsg/tests and 10.356723 on output line 2787 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -13.70568611 on reference line 2788 in /build/mopac-22.0.6+dfsg/tests and -13.70650415 on output line 2788 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 11.37413416 on reference line 2788 in /build/mopac-22.0.6+dfsg/tests and 11.37250757 on output line 2788 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -0.65935086 on reference line 2788 in /build/mopac-22.0.6+dfsg/tests and -0.65818691 on output line 2788 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -12.96924347 on reference line 2787 in /build/mopac-22.0.6+dfsg/tests and -12.96899572 on output line 2787 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 10.35659844 on reference line 2787 in /build/mopac-22.0.6+dfsg/tests and 10.35610665 on output line 2787 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -1.92788332 on reference line 2787 in /build/mopac-22.0.6+dfsg/tests and -1.92703459 on output line 2787 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -13.70568611 on reference line 2788 in /build/mopac-22.0.6+dfsg/tests and -13.70648981 on output line 2788 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 11.37413416 on reference line 2788 in /build/mopac-22.0.6+dfsg/tests and 11.37374017 on output line 2788 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -0.65935086 on reference line 2788 in /build/mopac-22.0.6+dfsg/tests and -0.65907082 on output line 2788 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 14: WARNING: numerical mismatch between -15.89032154 on reference line 2790 in /build/mopac-22.0.6+dfsg/tests and -15.89134072 on output line 2790 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 14: WARNING: numerical mismatch between -5.39383986 on reference line 2790 in /build/mopac-22.0.6+dfsg/tests and -5.39331645 on output line 2790 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 14: WARNING: numerical mismatch between -1.64991563 on reference line 2790 in /build/mopac-22.0.6+dfsg/tests and -1.64915024 on output line 2790 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 14: WARNING: numerical mismatch between -17.26143932 on reference line 2791 in /build/mopac-22.0.6+dfsg/tests and -17.20405553 on output line 2791 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 14: WARNING: numerical mismatch between -6.04411536 on reference line 2791 in /build/mopac-22.0.6+dfsg/tests and -5.91708756 on output line 2791 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 14: WARNING: numerical mismatch between -1.40670984 on reference line 2791 in /build/mopac-22.0.6+dfsg/tests and -1.35537189 on output line 2791 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -16.127421 on reference line 2793 in /build/mopac-22.0.6+dfsg/tests and -15.82546804 on output line 2793 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 9.22180093 on reference line 2793 in /build/mopac-22.0.6+dfsg/tests and 9.04598005 on output line 2793 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -0.42481181 on reference line 2793 in /build/mopac-22.0.6+dfsg/tests and -0.28619058 on output line 2793 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -15.61110471 on reference line 2794 in /build/mopac-22.0.6+dfsg/tests and -15.72305851 on output line 2794 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 9.11075337 on reference line 2794 in /build/mopac-22.0.6+dfsg/tests and 9.09420747 on output line 2794 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 1.1896232 on reference line 2794 in /build/mopac-22.0.6+dfsg/tests and 1.29170796 on output line 2794 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -16.127421 on reference line 2793 in /build/mopac-22.0.6+dfsg/tests and -15.85657448 on output line 2793 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 9.22180093 on reference line 2793 in /build/mopac-22.0.6+dfsg/tests and 9.06774593 on output line 2793 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -0.42481181 on reference line 2793 in /build/mopac-22.0.6+dfsg/tests and -0.30896101 on output line 2793 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -15.61110471 on reference line 2794 in /build/mopac-22.0.6+dfsg/tests and -15.71201874 on output line 2794 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 9.11075337 on reference line 2794 in /build/mopac-22.0.6+dfsg/tests and 9.08260949 on output line 2794 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 1.1896232 on reference line 2794 in /build/mopac-22.0.6+dfsg/tests and 1.28056579 on output line 2794 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 14: WARNING: numerical mismatch between -26.63872155 on reference line 2796 in /build/mopac-22.0.6+dfsg/tests and -26.63771996 on output line 2796 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 14: WARNING: numerical mismatch between 4.94394297 on reference line 2796 in /build/mopac-22.0.6+dfsg/tests and 4.94405047 on output line 2796 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 14: WARNING: numerical mismatch between -10.64025125 on reference line 2796 in /build/mopac-22.0.6+dfsg/tests and -10.63855556 on output line 2796 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac @@ -1934,23 +2086,23 @@ 14: WARNING: numerical mismatch between -23.44863641 on reference line 2845 in /build/mopac-22.0.6+dfsg/tests and -23.38159643 on output line 2845 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 14: WARNING: numerical mismatch between 2.85663179 on reference line 2845 in /build/mopac-22.0.6+dfsg/tests and 2.96249257 on output line 2845 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 14: WARNING: numerical mismatch between -12.11384289 on reference line 2845 in /build/mopac-22.0.6+dfsg/tests and -12.14118773 on output line 2845 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -8.99956777 on reference line 2847 in /build/mopac-22.0.6+dfsg/tests and -8.97805041 on output line 2847 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -0.37535921 on reference line 2847 in /build/mopac-22.0.6+dfsg/tests and -0.37668719 on output line 2847 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -16.50197757 on reference line 2847 in /build/mopac-22.0.6+dfsg/tests and -16.48485522 on output line 2847 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -9.09018315 on reference line 2848 in /build/mopac-22.0.6+dfsg/tests and -9.09274884 on output line 2848 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 1.06846825 on reference line 2848 in /build/mopac-22.0.6+dfsg/tests and 1.06473541 on output line 2848 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -17.18814749 on reference line 2848 in /build/mopac-22.0.6+dfsg/tests and -17.19724947 on output line 2848 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -8.99956777 on reference line 2847 in /build/mopac-22.0.6+dfsg/tests and -8.98628011 on output line 2847 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -0.37535921 on reference line 2847 in /build/mopac-22.0.6+dfsg/tests and -0.37694342 on output line 2847 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -16.50197757 on reference line 2847 in /build/mopac-22.0.6+dfsg/tests and -16.49217402 on output line 2847 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -9.09018315 on reference line 2848 in /build/mopac-22.0.6+dfsg/tests and -9.09488606 on output line 2848 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 1.06846825 on reference line 2848 in /build/mopac-22.0.6+dfsg/tests and 1.06403549 on output line 2848 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -17.18814749 on reference line 2848 in /build/mopac-22.0.6+dfsg/tests and -17.1928977 on output line 2848 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 14: WARNING: numerical mismatch between -8.54637923 on reference line 2850 in /build/mopac-22.0.6+dfsg/tests and -8.54572958 on output line 2850 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 14: WARNING: numerical mismatch between -8.32055774 on reference line 2850 in /build/mopac-22.0.6+dfsg/tests and -8.32040455 on output line 2850 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 14: WARNING: numerical mismatch between -8.17735571 on reference line 2851 in /build/mopac-22.0.6+dfsg/tests and -8.18454524 on output line 2851 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 14: WARNING: numerical mismatch between 3.78252143 on reference line 2851 in /build/mopac-22.0.6+dfsg/tests and 3.77371825 on output line 2851 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 14: WARNING: numerical mismatch between -8.82214044 on reference line 2851 in /build/mopac-22.0.6+dfsg/tests and -8.79467593 on output line 2851 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -14.82954918 on reference line 2853 in /build/mopac-22.0.6+dfsg/tests and -14.89863175 on output line 2853 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 8.19071194 on reference line 2853 in /build/mopac-22.0.6+dfsg/tests and 8.41273068 on output line 2853 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 0.62401503 on reference line 2853 in /build/mopac-22.0.6+dfsg/tests and 0.95305449 on output line 2853 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -14.36049814 on reference line 2854 in /build/mopac-22.0.6+dfsg/tests and -13.94541701 on output line 2854 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 8.06423004 on reference line 2854 in /build/mopac-22.0.6+dfsg/tests and 7.89096662 on output line 2854 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 2.12513299 on reference line 2854 in /build/mopac-22.0.6+dfsg/tests and 2.1662108 on output line 2854 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -14.82954918 on reference line 2853 in /build/mopac-22.0.6+dfsg/tests and -14.89892027 on output line 2853 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 8.19071194 on reference line 2853 in /build/mopac-22.0.6+dfsg/tests and 8.41242497 on output line 2853 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 0.62401503 on reference line 2853 in /build/mopac-22.0.6+dfsg/tests and 0.95344586 on output line 2853 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -14.36049814 on reference line 2854 in /build/mopac-22.0.6+dfsg/tests and -13.97800205 on output line 2854 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 8.06423004 on reference line 2854 in /build/mopac-22.0.6+dfsg/tests and 7.77704175 on output line 2854 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 2.12513299 on reference line 2854 in /build/mopac-22.0.6+dfsg/tests and 2.15698904 on output line 2854 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 14: WARNING: numerical mismatch between -10.4103453 on reference line 2856 in /build/mopac-22.0.6+dfsg/tests and -10.4116109 on output line 2856 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 14: WARNING: numerical mismatch between 5.49499951 on reference line 2856 in /build/mopac-22.0.6+dfsg/tests and 5.49532471 on output line 2856 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 14: WARNING: numerical mismatch between -11.27158012 on reference line 2856 in /build/mopac-22.0.6+dfsg/tests and -11.27261984 on output line 2856 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac @@ -1992,17 +2144,18 @@ 14: WARNING: numerical mismatch between -25.78799589 on reference line 2875 in /build/mopac-22.0.6+dfsg/tests and -25.67124163 on output line 2875 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 14: WARNING: numerical mismatch between -9.45349666 on reference line 2875 in /build/mopac-22.0.6+dfsg/tests and -9.12877374 on output line 2875 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 14: WARNING: numerical mismatch between -8.28018683 on reference line 2875 in /build/mopac-22.0.6+dfsg/tests and -8.37120544 on output line 2875 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -9.87161348 on reference line 2877 in /build/mopac-22.0.6+dfsg/tests and -9.87083433 on output line 2877 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 0.77876854 on reference line 2877 in /build/mopac-22.0.6+dfsg/tests and 0.78095047 on output line 2877 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -11.09560842 on reference line 2878 in /build/mopac-22.0.6+dfsg/tests and -11.29139514 on output line 2878 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 1.84169821 on reference line 2878 in /build/mopac-22.0.6+dfsg/tests and 1.66938084 on output line 2878 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -18.06160752 on reference line 2878 in /build/mopac-22.0.6+dfsg/tests and -18.03025766 on output line 2878 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -12.17546342 on reference line 2880 in /build/mopac-22.0.6+dfsg/tests and -12.17400414 on output line 2880 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 10.38791706 on reference line 2880 in /build/mopac-22.0.6+dfsg/tests and 10.38891712 on output line 2880 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -3.03024251 on reference line 2880 in /build/mopac-22.0.6+dfsg/tests and -3.02986913 on output line 2880 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -11.38869606 on reference line 2881 in /build/mopac-22.0.6+dfsg/tests and -11.40986346 on output line 2881 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 9.76378071 on reference line 2881 in /build/mopac-22.0.6+dfsg/tests and 9.74614022 on output line 2881 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -1.83568243 on reference line 2881 in /build/mopac-22.0.6+dfsg/tests and -1.82556729 on output line 2881 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -9.87161348 on reference line 2877 in /build/mopac-22.0.6+dfsg/tests and -9.87074648 on output line 2877 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 0.77876854 on reference line 2877 in /build/mopac-22.0.6+dfsg/tests and 0.77969786 on output line 2877 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -17.93784724 on reference line 2877 in /build/mopac-22.0.6+dfsg/tests and -17.93863738 on output line 2877 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -11.09560842 on reference line 2878 in /build/mopac-22.0.6+dfsg/tests and -11.31310639 on output line 2878 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 1.84169821 on reference line 2878 in /build/mopac-22.0.6+dfsg/tests and 1.6310441 on output line 2878 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -18.06160752 on reference line 2878 in /build/mopac-22.0.6+dfsg/tests and -18.01124109 on output line 2878 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -12.17546342 on reference line 2880 in /build/mopac-22.0.6+dfsg/tests and -12.1746675 on output line 2880 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 10.38791706 on reference line 2880 in /build/mopac-22.0.6+dfsg/tests and 10.38912579 on output line 2880 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -3.03024251 on reference line 2880 in /build/mopac-22.0.6+dfsg/tests and -3.02812973 on output line 2880 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -11.38869606 on reference line 2881 in /build/mopac-22.0.6+dfsg/tests and -11.44043532 on output line 2881 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 9.76378071 on reference line 2881 in /build/mopac-22.0.6+dfsg/tests and 9.72938651 on output line 2881 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -1.83568243 on reference line 2881 in /build/mopac-22.0.6+dfsg/tests and -1.81391413 on output line 2881 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 14: WARNING: numerical mismatch between -8.8445716 on reference line 2883 in /build/mopac-22.0.6+dfsg/tests and -8.84472726 on output line 2883 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 14: WARNING: numerical mismatch between -16.55980467 on reference line 2883 in /build/mopac-22.0.6+dfsg/tests and -16.55948865 on output line 2883 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 14: WARNING: numerical mismatch between -15.63518295 on reference line 2884 in /build/mopac-22.0.6+dfsg/tests and -15.62669418 on output line 2884 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac @@ -2014,119 +2167,41 @@ 14: WARNING: numerical mismatch between -16.60603968 on reference line 2887 in /build/mopac-22.0.6+dfsg/tests and -16.58717244 on output line 2887 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 14: WARNING: numerical mismatch between 9.18383909 on reference line 2887 in /build/mopac-22.0.6+dfsg/tests and 9.18700967 on output line 2887 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 14: WARNING: numerical mismatch between -10.15173859 on reference line 2887 in /build/mopac-22.0.6+dfsg/tests and -10.14429206 on output line 2887 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -8.83025307 on reference line 2889 in /build/mopac-22.0.6+dfsg/tests and -8.82835436 on output line 2889 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 2.47891338 on reference line 2889 in /build/mopac-22.0.6+dfsg/tests and 2.48942482 on output line 2889 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -2.32833079 on reference line 2889 in /build/mopac-22.0.6+dfsg/tests and -2.31999911 on output line 2889 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -7.61593784 on reference line 2890 in /build/mopac-22.0.6+dfsg/tests and -7.66163531 on output line 2890 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 1.77371324 on reference line 2890 in /build/mopac-22.0.6+dfsg/tests and 1.69500394 on output line 2890 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -3.01736935 on reference line 2890 in /build/mopac-22.0.6+dfsg/tests and -2.98654041 on output line 2890 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -8.83025307 on reference line 2889 in /build/mopac-22.0.6+dfsg/tests and -8.828355 on output line 2889 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 2.47891338 on reference line 2889 in /build/mopac-22.0.6+dfsg/tests and 2.48942368 on output line 2889 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -2.32833079 on reference line 2889 in /build/mopac-22.0.6+dfsg/tests and -2.31999712 on output line 2889 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -7.61593784 on reference line 2890 in /build/mopac-22.0.6+dfsg/tests and -7.66163005 on output line 2890 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 1.77371324 on reference line 2890 in /build/mopac-22.0.6+dfsg/tests and 1.69501364 on output line 2890 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -3.01736935 on reference line 2890 in /build/mopac-22.0.6+dfsg/tests and -2.98654503 on output line 2890 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 14: WARNING: numerical mismatch between -18.41144245 on reference line 2892 in /build/mopac-22.0.6+dfsg/tests and -18.41180881 on output line 2892 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 14: WARNING: numerical mismatch between -9.68404723 on reference line 2892 in /build/mopac-22.0.6+dfsg/tests and -9.68467236 on output line 2892 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 14: WARNING: numerical mismatch between -21.21921898 on reference line 2892 in /build/mopac-22.0.6+dfsg/tests and -21.21967783 on output line 2892 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 14: WARNING: numerical mismatch between -19.39309013 on reference line 2893 in /build/mopac-22.0.6+dfsg/tests and -19.40086533 on output line 2893 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 14: WARNING: numerical mismatch between -8.65465573 on reference line 2893 in /build/mopac-22.0.6+dfsg/tests and -8.65248411 on output line 2893 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 14: WARNING: numerical mismatch between -20.48282827 on reference line 2893 in /build/mopac-22.0.6+dfsg/tests and -20.48574669 on output line 2893 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -24: Thu Jun 1 17:21:25 2023 Job: 'SALT' started successfully -22: WARNING: numerical mismatch between 32.296 on reference line 106 in /build/mopac-22.0.6+dfsg/tests and 32.295 on output line 106 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -22: WARNING: numerical mismatch between 32.296 on reference line 107 in /build/mopac-22.0.6+dfsg/tests and 32.295 on output line 107 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -22: WARNING: numerical mismatch between 49.948 on reference line 165 in /build/mopac-22.0.6+dfsg/tests and 49.947 on output line 165 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -22: WARNING: numerical mismatch between 50.075 on reference line 166 in /build/mopac-22.0.6+dfsg/tests and 50.074 on output line 166 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -22: WARNING: numerical mismatch between 55.867 on reference line 231 in /build/mopac-22.0.6+dfsg/tests and 55.866 on output line 231 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -22: WARNING: numerical mismatch between 55.88 on reference line 232 in /build/mopac-22.0.6+dfsg/tests and 55.879 on output line 232 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -22: WARNING: numerical mismatch between 63.184 on reference line 298 in /build/mopac-22.0.6+dfsg/tests and 63.183 on output line 298 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -22: WARNING: numerical mismatch between 63.01 on reference line 299 in /build/mopac-22.0.6+dfsg/tests and 63.009 on output line 299 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -22: WARNING: numerical mismatch between 61.366 on reference line 369 in /build/mopac-22.0.6+dfsg/tests and 61.365 on output line 369 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -22: WARNING: numerical mismatch between 62.252 on reference line 370 in /build/mopac-22.0.6+dfsg/tests and 62.251 on output line 370 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -22: WARNING: numerical heat mismatch between 71.60897 on reference line 508 in /build/mopac-22.0.6+dfsg/tests and 71.60806 on output line 508 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -22: WARNING: numerical mismatch between 299.61194 on reference line 508 in /build/mopac-22.0.6+dfsg/tests and 299.60814 on output line 508 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac - 11/118 Test #14: add-h3 ........................... Passed 3.40 sec -test 16 - Start 16: pdb_compare - -16: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "Compare_PDB_1EJG_and_1CBN.mop" -16: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests -16: Test timeout computed to be: 10000000 -29: -29: -29: MOPAC Job: "ag20.mop" ended normally on Jun 1, 2023, at 17:21. -29: - 12/118 Test #22: locate_ts ........................ Passed 2.66 sec -test 32 - Start 32: co_cas - -32: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/INDO-dev" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "co_cas.mop" -32: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/INDO-dev -32: Test timeout computed to be: 10000000 -31: -31: -31: MOPAC Job: "benzene.mop" ended normally on Jun 1, 2023, at 17:21. -31: -26: Thu Jun 1 17:21:25 2023 Job: 'SITE_Individual_residues' started successfully -12: -12: -12: MOPAC Job: "ADD-H_Bacteriorhodopsin_1AP9.mop" ended normally on Jun 1, 2023, at 17:21. -12: -29: WARNING: numerical heat mismatch between -265051.48247 on reference line 6347 in /build/mopac-22.0.6+dfsg/tests/INDO-dev and -265051.70002 on output line 6352 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -29: WARNING: numerical mismatch between -1108975.40267 on reference line 6347 in /build/mopac-22.0.6+dfsg/tests/INDO-dev and -1108976.31288 on output line 6352 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -15: -15: -15: MOPAC Job: "Compare_ADD-H_1EJG_and_1CBN.mop" ended normally on Jun 1, 2023, at 17:21. -15: - 13/118 Test #29: ag20 ............................. Passed 2.23 sec -test 33 - Start 33: co_cis - -33: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/INDO-dev" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "co_cis.mop" -33: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/INDO-dev -33: Test timeout computed to be: 10000000 - 14/118 Test #31: benzene .......................... Passed 1.84 sec -test 34 - Start 34: co_cis_2 - -34: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/INDO-dev" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "co_cis_2.mop" -34: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/INDO-dev -34: Test timeout computed to be: 10000000 - 15/118 Test #15: compare_add-h .................... Passed 1.48 sec -test 35 - Start 35: co_cis_PM7 - -35: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/INDO-dev" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "co_cis_PM7.mop" -35: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/INDO-dev -35: Test timeout computed to be: 10000000 -32: -32: -32: MOPAC Job: "co_cas.mop" ended normally on Jun 1, 2023, at 17:21. -32: - 16/118 Test #32: co_cas ........................... Passed 0.46 sec + 15/118 Test #29: ag20 ............................. Passed 2.47 sec test 36 Start 36: co_cis_active 36: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/INDO-dev" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "co_cis_active.mop" 36: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/INDO-dev 36: Test timeout computed to be: 10000000 -35: -35: -35: MOPAC Job: "co_cis_PM7.mop" ended normally on Jun 1, 2023, at 17:21. -35: -33: -33: -33: MOPAC Job: "co_cis.mop" ended normally on Jun 1, 2023, at 17:21. -33: -35: WARNING: numerical heat mismatch between -16.98521 on reference line 70 in /build/mopac-22.0.6+dfsg/tests/INDO-dev and -16.98542 on output line 70 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -35: WARNING: numerical mismatch between -71.06612 on reference line 70 in /build/mopac-22.0.6+dfsg/tests/INDO-dev and -71.06698 on output line 70 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 34: 34: -34: MOPAC Job: "co_cis_2.mop" ended normally on Jun 1, 2023, at 17:21. +34: MOPAC Job: "co_cis_2.mop" ended normally on Jul 5, 2024, at 01:48. 34: - 17/118 Test #35: co_cis_PM7 ....................... Passed 0.49 sec +15: +15: +15: MOPAC Job: "Compare_ADD-H_1EJG_and_1CBN.mop" ended normally on Jul 5, 2024, at 01:48. +15: + 16/118 Test #14: add-h3 ........................... Passed 3.94 sec test 37 Start 37: co_cis_solv 37: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/INDO-dev" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "co_cis_solv.mop" 37: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/INDO-dev 37: Test timeout computed to be: 10000000 -16: Thu Jun 1 17:21:26 2023 Job: 'Compare_PDB_1EJG_and_1CBN' started successfully - 18/118 Test #34: co_cis_2 ......................... Passed 0.65 sec + 17/118 Test #34: co_cis_2 ......................... Passed 1.20 sec test 38 Start 38: co_cis_tdip @@ -2135,426 +2210,432 @@ 38: Test timeout computed to be: 10000000 36: 36: -36: MOPAC Job: "co_cis_active.mop" ended normally on Jun 1, 2023, at 17:21. +36: MOPAC Job: "co_cis_active.mop" ended normally on Jul 5, 2024, at 01:48. 36: - 19/118 Test #33: co_cis ........................... Passed 0.70 sec +16: +16: +16: MOPAC Job: "Compare_PDB_1EJG_and_1CBN.mop" ended normally on Jul 5, 2024, at 01:48. +16: + 18/118 Test #15: compare_add-h .................... Passed 1.71 sec test 39 Start 39: co_cis_trip 39: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/INDO-dev" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "co_cis_trip.mop" 39: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/INDO-dev 39: Test timeout computed to be: 10000000 - 20/118 Test #36: co_cis_active .................... Passed 0.64 sec + 19/118 Test #36: co_cis_active .................... Passed 0.54 sec test 40 Start 40: co_extern 40: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/INDO-dev" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "co_extern.mop" "param.txt" 40: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/INDO-dev 40: Test timeout computed to be: 10000000 -40: -40: -40: MOPAC Job: "co_extern.mop" ended normally on Jun 1, 2023, at 17:21. -40: -16: -16: -16: MOPAC Job: "Compare_PDB_1EJG_and_1CBN.mop" ended normally on Jun 1, 2023, at 17:21. -16: - 21/118 Test #40: co_extern ........................ Passed 0.36 sec +37: +37: +37: MOPAC Job: "co_cis_solv.mop" ended normally on Jul 5, 2024, at 01:48. +37: +35: +35: +35: MOPAC Job: "co_cis_PM7.mop" ended normally on Jul 5, 2024, at 01:48. +35: +35: WARNING: numerical heat mismatch between -16.98521 on reference line 70 in /build/mopac-22.0.6+dfsg/tests/INDO-dev and -16.98542 on output line 70 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +35: WARNING: numerical mismatch between -71.06612 on reference line 70 in /build/mopac-22.0.6+dfsg/tests/INDO-dev and -71.06698 on output line 70 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac + 20/118 Test #16: pdb_compare ...................... Passed 1.77 sec test 41 Start 41: co_fail 41: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/INDO-dev" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "co_fail.mop" 41: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/INDO-dev 41: Test timeout computed to be: 10000000 -24: -24: -24: MOPAC Job: "SALT.mop" ended normally on Jun 1, 2023, at 17:21. -24: -37: -37: -37: MOPAC Job: "co_cis_solv.mop" ended normally on Jun 1, 2023, at 17:21. -37: -39: -39: -39: MOPAC Job: "co_cis_trip.mop" ended normally on Jun 1, 2023, at 17:21. -39: -38: -38: -38: MOPAC Job: "co_cis_tdip.mop" ended normally on Jun 1, 2023, at 17:21. -38: - 22/118 Test #37: co_cis_solv ...................... Passed 0.77 sec + 21/118 Test #37: co_cis_solv ...................... Passed 0.66 sec test 42 Start 42: co_field 42: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/INDO-dev" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "co_field.mop" 42: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/INDO-dev 42: Test timeout computed to be: 10000000 - 23/118 Test #16: pdb_compare ...................... Passed 1.77 sec + 22/118 Test #35: co_cis_PM7 ....................... Passed 0.94 sec test 43 Start 43: co_mrci 43: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/INDO-dev" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "co_mrci.mop" 43: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/INDO-dev 43: Test timeout computed to be: 10000000 - 24/118 Test #39: co_cis_trip ...................... Passed 0.77 sec +40: +40: +40: MOPAC Job: "co_extern.mop" ended normally on Jul 5, 2024, at 01:48. +40: + 23/118 Test #40: co_extern ........................ Passed 0.60 sec test 44 Start 44: co_mrci_maxci 44: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/INDO-dev" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "co_mrci_maxci.mop" 44: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/INDO-dev 44: Test timeout computed to be: 10000000 - 25/118 Test #24: salt ............................. Passed 2.94 sec +38: +38: +38: MOPAC Job: "co_cis_tdip.mop" ended normally on Jul 5, 2024, at 01:48. +38: +39: +39: +39: MOPAC Job: "co_cis_trip.mop" ended normally on Jul 5, 2024, at 01:48. +39: +41: FORCE is incompatible with INDO +41: +41: +41: MOPAC Job: "co_fail.mop" ended normally on Jul 5, 2024, at 01:48. +41: +42: +42: +42: MOPAC Job: "co_field.mop" ended normally on Jul 5, 2024, at 01:48. +42: +24: +24: +24: MOPAC Job: "SALT.mop" ended normally on Jul 5, 2024, at 01:48. +24: + 24/118 Test #13: add-h2 ........................... Passed 5.62 sec test 45 Start 45: co_mrci_solv 45: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/INDO-dev" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "co_mrci_solv.mop" 45: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/INDO-dev 45: Test timeout computed to be: 10000000 - 26/118 Test #38: co_cis_tdip ...................... Passed 0.86 sec + 25/118 Test #38: co_cis_tdip ...................... Passed 1.26 sec test 46 Start 46: co_pm7 46: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/INDO-dev" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "co_pm7.mop" 46: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/INDO-dev 46: Test timeout computed to be: 10000000 - 27/118 Test #13: add-h2 ........................... Passed 5.43 sec +43: +43: +43: MOPAC Job: "co_mrci.mop" ended normally on Jul 5, 2024, at 01:48. +43: +44: +44: +44: MOPAC Job: "co_mrci_maxci.mop" ended normally on Jul 5, 2024, at 01:48. +44: + 26/118 Test #39: co_cis_trip ...................... Passed 1.22 sec test 47 Start 47: co_pm7_solv 47: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/INDO-dev" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "co_pm7_solv.mop" 47: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/INDO-dev 47: Test timeout computed to be: 10000000 -26: -26: -26: MOPAC Job: "SITE_Individual_residues.mop" ended normally on Jun 1, 2023, at 17:21. -26: -41: FORCE is incompatible with INDO -41: -41: -41: MOPAC Job: "co_fail.mop" ended normally on Jun 1, 2023, at 17:21. -41: - 28/118 Test #41: co_fail .......................... Passed 0.67 sec + 27/118 Test #42: co_field ......................... Passed 0.94 sec test 48 Start 48: co_print 48: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/INDO-dev" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "co_print.mop" 48: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/INDO-dev 48: Test timeout computed to be: 10000000 - 29/118 Test #26: residues ......................... Passed 3.27 sec + 28/118 Test #41: co_fail .......................... Passed 1.00 sec test 49 Start 49: no_cis_quar 49: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/INDO-dev" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "no_cis_quar.mop" 49: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/INDO-dev 49: Test timeout computed to be: 10000000 -44: -44: -44: MOPAC Job: "co_mrci_maxci.mop" ended normally on Jun 1, 2023, at 17:21. -44: -47: -47: -47: MOPAC Job: "co_pm7_solv.mop" ended normally on Jun 1, 2023, at 17:21. -47: -43: -43: -43: MOPAC Job: "co_mrci.mop" ended normally on Jun 1, 2023, at 17:21. -43: - 30/118 Test #44: co_mrci_maxci .................... Passed 0.68 sec + 29/118 Test #44: co_mrci_maxci .................... Passed 0.71 sec test 50 Start 50: no_mrci 50: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/INDO-dev" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "no_mrci.mop" 50: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/INDO-dev 50: Test timeout computed to be: 10000000 -47: WARNING: numerical heat mismatch between -19.6414 on reference line 69 in /build/mopac-22.0.6+dfsg/tests/INDO-dev and -19.64161 on output line 69 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -47: WARNING: numerical mismatch between -82.17963 on reference line 69 in /build/mopac-22.0.6+dfsg/tests/INDO-dev and -82.1805 on output line 69 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -42: -42: -42: MOPAC Job: "co_field.mop" ended normally on Jun 1, 2023, at 17:21. -42: - 31/118 Test #43: co_mrci .......................... Passed 0.81 sec + 30/118 Test #24: salt ............................. Passed 2.89 sec test 51 Start 51: noparam 51: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/INDO-dev" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "noparam.mop" 51: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/INDO-dev 51: Test timeout computed to be: 10000000 - 32/118 Test #47: co_pm7_solv ...................... Passed 0.71 sec + 31/118 Test #43: co_mrci .......................... Passed 1.03 sec test 52 Start 52: poly_c8 52: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/INDO-dev" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "poly_c8.mop" 52: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/INDO-dev 52: Test timeout computed to be: 10000000 -46: -46: -46: MOPAC Job: "co_pm7.mop" ended normally on Jun 1, 2023, at 17:21. -46: -46: WARNING: numerical heat mismatch between -16.98521 on reference line 68 in /build/mopac-22.0.6+dfsg/tests/INDO-dev and -16.98542 on output line 68 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -46: WARNING: numerical mismatch between -71.06612 on reference line 68 in /build/mopac-22.0.6+dfsg/tests/INDO-dev and -71.06698 on output line 68 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac - 33/118 Test #42: co_field ......................... Passed 1.00 sec -test 53 - Start 53: poly_c8_mr - -53: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/INDO-dev" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "poly_c8_mr.mop" -53: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/INDO-dev -53: Test timeout computed to be: 10000000 -45: -45: -45: MOPAC Job: "co_mrci_solv.mop" ended normally on Jun 1, 2023, at 17:21. -45: - 34/118 Test #46: co_pm7 ........................... Passed 0.98 sec -test 54 - Start 54: key-ampersand - -54: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/keywords" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "ampersand.mop" -54: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/keywords -54: Test timeout computed to be: 10000000 -49: -49: -49: MOPAC Job: "no_cis_quar.mop" ended normally on Jun 1, 2023, at 17:21. -49: - 35/118 Test #12: add-h ............................ Passed 6.51 sec + 32/118 Test #12: add-h ............................ Passed 6.01 sec test 17 Start 17: pdb_compare2 17: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "Compare_PDB_Bacteriorhodopsin_1AP9_and_2AT9.mop" "Bacteriorhodopsin_2AT9.ent" 17: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests 17: Test timeout computed to be: 10000000 -48: WARNING: Specified print options may not behave as expected with INDO - 36/118 Test #45: co_mrci_solv ..................... Passed 1.17 sec +46: +46: +46: MOPAC Job: "co_pm7.mop" ended normally on Jul 5, 2024, at 01:48. +46: +46: WARNING: numerical heat mismatch between -16.98521 on reference line 68 in /build/mopac-22.0.6+dfsg/tests/INDO-dev and -16.98542 on output line 68 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +46: WARNING: numerical mismatch between -71.06612 on reference line 68 in /build/mopac-22.0.6+dfsg/tests/INDO-dev and -71.06698 on output line 68 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac + 33/118 Test #46: co_pm7 ........................... Passed 0.79 sec test 18 Start 18: pdb_compare3 18: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "Compare_PDB_Bacteriorhodopsin_1AP9_and_1C3W.mop" "Bacteriorhodopsin_1C3W.ent" 18: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests 18: Test timeout computed to be: 10000000 +17: Fri Jul 5 01:48:46 2024 Job: 'Compare_PDB_Bacteriorhodopsin_1AP9_and_2AT9' started successfully +48: WARNING: Specified print options may not behave as expected with INDO +47: +47: +47: MOPAC Job: "co_pm7_solv.mop" ended normally on Jul 5, 2024, at 01:48. +47: 48: 48: -48: MOPAC Job: "co_print.mop" ended normally on Jun 1, 2023, at 17:21. +48: MOPAC Job: "co_print.mop" ended normally on Jul 5, 2024, at 01:48. 48: +49: +49: +49: MOPAC Job: "no_cis_quar.mop" ended normally on Jul 5, 2024, at 01:48. +49: +47: WARNING: numerical heat mismatch between -19.6414 on reference line 69 in /build/mopac-22.0.6+dfsg/tests/INDO-dev and -19.64161 on output line 69 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +47: WARNING: numerical mismatch between -82.17963 on reference line 69 in /build/mopac-22.0.6+dfsg/tests/INDO-dev and -82.1805 on output line 69 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 51: 51: -51: MOPAC Job: "noparam.mop" ended normally on Jun 1, 2023, at 17:21. +51: MOPAC Job: "noparam.mop" ended normally on Jul 5, 2024, at 01:48. 51: - 37/118 Test #49: no_cis_quar ...................... Passed 0.92 sec +50: +50: +50: MOPAC Job: "no_mrci.mop" ended normally on Jul 5, 2024, at 01:48. +50: + 34/118 Test #48: co_print ......................... Passed 0.96 sec test 19 Start 19: pdb_compare4 19: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRX.mop" "Bacteriorhodopsin_1BRX.ent" 19: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests 19: Test timeout computed to be: 10000000 - 38/118 Test #48: co_print ......................... Passed 0.96 sec + 35/118 Test #47: co_pm7_solv ...................... Passed 1.01 sec test 20 Start 20: pdb_compare5 20: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRR.mop" "Bacteriorhodopsin_1BRR.ent" 20: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests 20: Test timeout computed to be: 10000000 - 39/118 Test #51: noparam .......................... Passed 0.64 sec +45: +45: +45: MOPAC Job: "co_mrci_solv.mop" ended normally on Jul 5, 2024, at 01:48. +45: + 36/118 Test #49: no_cis_quar ...................... Passed 0.98 sec test 21 Start 21: pdb_compare6 21: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "Compare_PDB_Bacteriorhodopsin_1AP9_and_1AT9.mop" 21: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests 21: Test timeout computed to be: 10000000 -50: -50: -50: MOPAC Job: "no_mrci.mop" ended normally on Jun 1, 2023, at 17:21. -50: -54: -54: -54: MOPAC Job: "ampersand.mop" ended normally on Jun 1, 2023, at 17:21. -54: - 40/118 Test #50: no_mrci .......................... Passed 1.15 sec + 37/118 Test #50: no_mrci .......................... Passed 0.91 sec +test 53 + Start 53: poly_c8_mr + +53: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/INDO-dev" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "poly_c8_mr.mop" +53: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/INDO-dev +53: Test timeout computed to be: 10000000 + 38/118 Test #51: noparam .......................... Passed 0.92 sec +test 54 + Start 54: key-ampersand + +54: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/keywords" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "ampersand.mop" +54: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/keywords +54: Test timeout computed to be: 10000000 +26: +26: +26: MOPAC Job: "SITE_Individual_residues.mop" ended normally on Jul 5, 2024, at 01:48. +26: + 39/118 Test #26: residues ......................... Passed 3.97 sec test 55 Start 55: key-plus 55: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/keywords" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "plus.mop" 55: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/keywords 55: Test timeout computed to be: 10000000 -54: WARNING: numerical heat mismatch between -77.16706 on reference line 70 in /build/mopac-22.0.6+dfsg/tests/keywords and -77.16737 on output line 70 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -54: WARNING: numerical mismatch between -322.86699 on reference line 70 in /build/mopac-22.0.6+dfsg/tests/keywords and -322.86826 on output line 70 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -54: WARNING: numerical heat mismatch between -77.16706 on reference line 211 in /build/mopac-22.0.6+dfsg/tests/keywords and -77.16737 on output line 211 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -54: WARNING: numerical mismatch between -322.86699 on reference line 211 in /build/mopac-22.0.6+dfsg/tests/keywords and -322.86826 on output line 211 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -54: WARNING: numerical heat mismatch between -77.16706 on reference line 352 in /build/mopac-22.0.6+dfsg/tests/keywords and -77.16737 on output line 352 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -54: WARNING: numerical mismatch between -322.86699 on reference line 352 in /build/mopac-22.0.6+dfsg/tests/keywords and -322.86826 on output line 352 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac - 41/118 Test #54: key-ampersand .................... Passed 1.01 sec + 40/118 Test #45: co_mrci_solv ..................... Passed 1.51 sec test 56 Start 56: key-plusplus 56: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/keywords" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "plusplus.mop" 56: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/keywords 56: Test timeout computed to be: 10000000 -19: Thu Jun 1 17:21:29 2023 Job: 'Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRX' started successfully -17: Thu Jun 1 17:21:29 2023 Job: 'Compare_PDB_Bacteriorhodopsin_1AP9_and_2AT9' started successfully -18: Thu Jun 1 17:21:29 2023 Job: 'Compare_PDB_Bacteriorhodopsin_1AP9_and_1C3W' started successfully -20: Thu Jun 1 17:21:29 2023 Job: 'Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRR' started successfully -21: Thu Jun 1 17:21:29 2023 Job: 'Compare_PDB_Bacteriorhodopsin_1AP9_and_1AT9' started successfully -56: -56: -56: MOPAC Job: "plusplus.mop" ended normally on Jun 1, 2023, at 17:21. -56: -56: WARNING: numerical heat mismatch between -77.16706 on reference line 70 in /build/mopac-22.0.6+dfsg/tests/keywords and -77.16737 on output line 70 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -56: WARNING: numerical mismatch between -322.86699 on reference line 70 in /build/mopac-22.0.6+dfsg/tests/keywords and -322.86826 on output line 70 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -56: WARNING: numerical heat mismatch between -77.16706 on reference line 210 in /build/mopac-22.0.6+dfsg/tests/keywords and -77.16737 on output line 210 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -56: WARNING: numerical mismatch between -322.86699 on reference line 210 in /build/mopac-22.0.6+dfsg/tests/keywords and -322.86826 on output line 210 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -56: WARNING: numerical heat mismatch between -77.16706 on reference line 350 in /build/mopac-22.0.6+dfsg/tests/keywords and -77.16737 on output line 350 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -56: WARNING: numerical mismatch between -322.86699 on reference line 350 in /build/mopac-22.0.6+dfsg/tests/keywords and -322.86826 on output line 350 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -55: -55: -55: MOPAC Job: "plus.mop" ended normally on Jun 1, 2023, at 17:21. -55: - 42/118 Test #56: key-plusplus ..................... Passed 0.55 sec +18: Fri Jul 5 01:48:47 2024 Job: 'Compare_PDB_Bacteriorhodopsin_1AP9_and_1C3W' started successfully +54: +54: +54: MOPAC Job: "ampersand.mop" ended normally on Jul 5, 2024, at 01:48. +54: +54: WARNING: numerical heat mismatch between -77.16706 on reference line 70 in /build/mopac-22.0.6+dfsg/tests/keywords and -77.16737 on output line 70 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +54: WARNING: numerical mismatch between -322.86699 on reference line 70 in /build/mopac-22.0.6+dfsg/tests/keywords and -322.86826 on output line 70 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +54: WARNING: numerical heat mismatch between -77.16706 on reference line 211 in /build/mopac-22.0.6+dfsg/tests/keywords and -77.16737 on output line 211 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +54: WARNING: numerical mismatch between -322.86699 on reference line 211 in /build/mopac-22.0.6+dfsg/tests/keywords and -322.86826 on output line 211 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +54: WARNING: numerical heat mismatch between -77.16706 on reference line 352 in /build/mopac-22.0.6+dfsg/tests/keywords and -77.16737 on output line 352 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +54: WARNING: numerical mismatch between -322.86699 on reference line 352 in /build/mopac-22.0.6+dfsg/tests/keywords and -322.86826 on output line 352 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +19: Fri Jul 5 01:48:47 2024 Job: 'Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRX' started successfully +20: Fri Jul 5 01:48:47 2024 Job: 'Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRR' started successfully + 41/118 Test #54: key-ampersand .................... Passed 0.85 sec test 57 Start 57: key-0SCF 57: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/keywords" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "0SCF.mop" 57: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/keywords 57: Test timeout computed to be: 10000000 +21: Fri Jul 5 01:48:47 2024 Job: 'Compare_PDB_Bacteriorhodopsin_1AP9_and_1AT9' started successfully +55: +55: +55: MOPAC Job: "plus.mop" ended normally on Jul 5, 2024, at 01:48. +55: 55: WARNING: numerical heat mismatch between -77.16706 on reference line 70 in /build/mopac-22.0.6+dfsg/tests/keywords and -77.16737 on output line 70 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 55: WARNING: numerical mismatch between -322.86699 on reference line 70 in /build/mopac-22.0.6+dfsg/tests/keywords and -322.86826 on output line 70 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 55: WARNING: numerical heat mismatch between -77.16706 on reference line 211 in /build/mopac-22.0.6+dfsg/tests/keywords and -77.16737 on output line 211 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 55: WARNING: numerical mismatch between -322.86699 on reference line 211 in /build/mopac-22.0.6+dfsg/tests/keywords and -322.86826 on output line 211 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 55: WARNING: numerical heat mismatch between -77.16706 on reference line 353 in /build/mopac-22.0.6+dfsg/tests/keywords and -77.16737 on output line 353 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 55: WARNING: numerical mismatch between -322.86699 on reference line 353 in /build/mopac-22.0.6+dfsg/tests/keywords and -322.86826 on output line 353 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac - 43/118 Test #55: key-plus ......................... Passed 0.97 sec +56: +56: +56: MOPAC Job: "plusplus.mop" ended normally on Jul 5, 2024, at 01:48. +56: +56: WARNING: numerical heat mismatch between -77.16706 on reference line 70 in /build/mopac-22.0.6+dfsg/tests/keywords and -77.16737 on output line 70 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +56: WARNING: numerical mismatch between -322.86699 on reference line 70 in /build/mopac-22.0.6+dfsg/tests/keywords and -322.86826 on output line 70 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +56: WARNING: numerical heat mismatch between -77.16706 on reference line 210 in /build/mopac-22.0.6+dfsg/tests/keywords and -77.16737 on output line 210 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +56: WARNING: numerical mismatch between -322.86699 on reference line 210 in /build/mopac-22.0.6+dfsg/tests/keywords and -322.86826 on output line 210 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +56: WARNING: numerical heat mismatch between -77.16706 on reference line 350 in /build/mopac-22.0.6+dfsg/tests/keywords and -77.16737 on output line 350 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +56: WARNING: numerical mismatch between -322.86699 on reference line 350 in /build/mopac-22.0.6+dfsg/tests/keywords and -322.86826 on output line 350 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac + 42/118 Test #55: key-plus ......................... Passed 1.17 sec test 58 Start 58: key-1ELECTRON 58: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/keywords" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "1ELECTRON.mop" 58: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/keywords 58: Test timeout computed to be: 10000000 + 43/118 Test #56: key-plusplus ..................... Passed 1.28 sec +test 59 + Start 59: key-1SCF + +59: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/keywords" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "1SCF.mop" +59: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/keywords +59: Test timeout computed to be: 10000000 57: 57: -57: MOPAC Job: "0SCF.mop" ended normally on Jun 1, 2023, at 17:21. +57: MOPAC Job: "0SCF.mop" ended normally on Jul 5, 2024, at 01:48. 57: +17: +17: +17: MOPAC Job: "Compare_PDB_Bacteriorhodopsin_1AP9_and_2AT9.mop" ended normally on Jul 5, 2024, at 01:48. +17: 57: WARNING: numerical heat mismatch between -77.16706 on reference line 69 in /build/mopac-22.0.6+dfsg/tests/keywords and -77.16737 on output line 69 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 57: WARNING: numerical mismatch between -322.86699 on reference line 69 in /build/mopac-22.0.6+dfsg/tests/keywords and -322.86826 on output line 69 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 57: WARNING: numerical heat mismatch between -77.16706 on reference line 264 in /build/mopac-22.0.6+dfsg/tests/keywords and -77.16737 on output line 264 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 57: WARNING: numerical mismatch between -322.86699 on reference line 264 in /build/mopac-22.0.6+dfsg/tests/keywords and -322.86826 on output line 264 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac - 44/118 Test #57: key-0SCF ......................... Passed 0.63 sec -test 59 - Start 59: key-1SCF + 44/118 Test #57: key-0SCF ......................... Passed 1.24 sec +test 60 + Start 60: key-A0 -59: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/keywords" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "1SCF.mop" -59: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/keywords -59: Test timeout computed to be: 10000000 +60: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/keywords" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "A0.mop" +60: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/keywords +60: Test timeout computed to be: 10000000 58: 58: -58: MOPAC Job: "1ELECTRON.mop" ended normally on Jun 1, 2023, at 17:21. +58: MOPAC Job: "1ELECTRON.mop" ended normally on Jul 5, 2024, at 01:48. 58: 58: WARNING: numerical heat mismatch between -84.51541 on reference line 81 in /build/mopac-22.0.6+dfsg/tests/keywords and -84.51572 on output line 81 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 58: WARNING: numerical mismatch between -353.61248 on reference line 81 in /build/mopac-22.0.6+dfsg/tests/keywords and -353.61376 on output line 81 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 58: WARNING: numerical heat mismatch between -84.51541 on reference line 234 in /build/mopac-22.0.6+dfsg/tests/keywords and -84.51572 on output line 234 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 58: WARNING: numerical mismatch between -353.61248 on reference line 234 in /build/mopac-22.0.6+dfsg/tests/keywords and -353.61376 on output line 234 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac - 45/118 Test #58: key-1ELECTRON .................... Passed 0.63 sec -test 60 - Start 60: key-A0 - -60: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/keywords" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "A0.mop" -60: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/keywords -60: Test timeout computed to be: 10000000 -18: -18: -18: MOPAC Job: "Compare_PDB_Bacteriorhodopsin_1AP9_and_1C3W.mop" ended normally on Jun 1, 2023, at 17:21. -18: -60: -60: -60: MOPAC Job: "A0.mop" ended normally on Jun 1, 2023, at 17:21. -60: -60: WARNING: numerical heat mismatch between -84.51541 on reference line 82 in /build/mopac-22.0.6+dfsg/tests/keywords and -84.51571 on output line 82 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -60: WARNING: numerical mismatch between -353.61246 on reference line 82 in /build/mopac-22.0.6+dfsg/tests/keywords and -353.61374 on output line 82 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac - 46/118 Test #60: key-A0 ........................... Passed 0.83 sec + 45/118 Test #17: pdb_compare2 ..................... Passed 3.12 sec test 61 Start 61: key-AIGIN 61: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/keywords" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "AIGIN.mop" 61: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/keywords 61: Test timeout computed to be: 10000000 -18: WARNING: numerical mismatch between 0.06 on reference line 534 in /build/mopac-22.0.6+dfsg/tests and -0.06 on output line 534 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -18: WARNING: numerical mismatch between 0.058 on reference line 535 in /build/mopac-22.0.6+dfsg/tests and -0.058 on output line 535 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -18: WARNING: numerical mismatch between 0.051 on reference line 536 in /build/mopac-22.0.6+dfsg/tests and -0.051 on output line 536 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -18: WARNING: numerical mismatch between 0.049 on reference line 538 in /build/mopac-22.0.6+dfsg/tests and -0.049 on output line 538 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -18: WARNING: numerical mismatch between 0.047 on reference line 540 in /build/mopac-22.0.6+dfsg/tests and -0.047 on output line 540 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -18: WARNING: numerical mismatch between 0.046 on reference line 542 in /build/mopac-22.0.6+dfsg/tests and -0.046 on output line 542 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -18: WARNING: numerical mismatch between 0.046 on reference line 543 in /build/mopac-22.0.6+dfsg/tests and -0.046 on output line 543 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -18: WARNING: numerical mismatch between 0.041 on reference line 550 in /build/mopac-22.0.6+dfsg/tests and -0.041 on output line 550 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -18: WARNING: numerical mismatch between 0.04 on reference line 555 in /build/mopac-22.0.6+dfsg/tests and -0.04 on output line 555 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac - 47/118 Test #18: pdb_compare3 ..................... Passed 3.13 sec + 46/118 Test #58: key-1ELECTRON .................... Passed 0.98 sec test 62 Start 62: key-AIGOUT 62: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/keywords" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "AIGOUT.mop" 62: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/keywords 62: Test timeout computed to be: 10000000 -17: -17: -17: MOPAC Job: "Compare_PDB_Bacteriorhodopsin_1AP9_and_2AT9.mop" ended normally on Jun 1, 2023, at 17:21. -17: -61: -61: -61: MOPAC Job: "AIGIN.mop" ended normally on Jun 1, 2023, at 17:21. -61: +59: +59: +59: MOPAC Job: "1SCF.mop" ended normally on Jul 5, 2024, at 01:48. +59: +59: WARNING: numerical heat mismatch between -84.34612 on reference line 70 in /build/mopac-22.0.6+dfsg/tests/keywords and -84.34643 on output line 70 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +59: WARNING: numerical mismatch between -352.90418 on reference line 70 in /build/mopac-22.0.6+dfsg/tests/keywords and -352.90546 on output line 70 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 62: 62: -62: MOPAC Job: "AIGOUT.mop" ended normally on Jun 1, 2023, at 17:21. +62: MOPAC Job: "AIGOUT.mop" ended normally on Jul 5, 2024, at 01:48. 62: -61: WARNING: numerical heat mismatch between -18.19788 on reference line 106 in /build/mopac-22.0.6+dfsg/tests/keywords and -18.19844 on output line 106 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -61: WARNING: numerical mismatch between -76.13994 on reference line 106 in /build/mopac-22.0.6+dfsg/tests/keywords and -76.14227 on output line 106 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +18: +18: +18: MOPAC Job: "Compare_PDB_Bacteriorhodopsin_1AP9_and_1C3W.mop" ended normally on Jul 5, 2024, at 01:48. +18: 62: WARNING: numerical heat mismatch between -18.19788 on reference line 86 in /build/mopac-22.0.6+dfsg/tests/keywords and -18.19844 on output line 86 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 62: WARNING: numerical mismatch between -76.13994 on reference line 86 in /build/mopac-22.0.6+dfsg/tests/keywords and -76.14227 on output line 86 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -19: -19: -19: MOPAC Job: "Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRX.mop" ended normally on Jun 1, 2023, at 17:21. -19: - 48/118 Test #62: key-AIGOUT ....................... Passed 0.71 sec + 47/118 Test #62: key-AIGOUT ....................... Passed 0.40 sec test 63 Start 63: key-ALLBONDS 63: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/keywords" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "ALLBONDS.mop" 63: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/keywords 63: Test timeout computed to be: 10000000 -19: WARNING: numerical mismatch between 0.069 on reference line 289 in /build/mopac-22.0.6+dfsg/tests and -0.069 on output line 289 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -19: WARNING: numerical mismatch between 0.063 on reference line 291 in /build/mopac-22.0.6+dfsg/tests and -0.063 on output line 291 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -19: WARNING: numerical mismatch between 0.062 on reference line 292 in /build/mopac-22.0.6+dfsg/tests and -0.062 on output line 292 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -19: WARNING: numerical mismatch between 0.052 on reference line 297 in /build/mopac-22.0.6+dfsg/tests and -0.052 on output line 297 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -19: WARNING: numerical mismatch between 0.051 on reference line 298 in /build/mopac-22.0.6+dfsg/tests and -0.051 on output line 298 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -19: WARNING: numerical mismatch between 0.05 on reference line 299 in /build/mopac-22.0.6+dfsg/tests and -0.05 on output line 299 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -19: WARNING: numerical mismatch between 0.049 on reference line 301 in /build/mopac-22.0.6+dfsg/tests and -0.049 on output line 301 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -19: WARNING: numerical mismatch between 0.047 on reference line 303 in /build/mopac-22.0.6+dfsg/tests and -0.047 on output line 303 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -19: WARNING: numerical mismatch between 0.046 on reference line 306 in /build/mopac-22.0.6+dfsg/tests and -0.046 on output line 306 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -19: WARNING: numerical mismatch between 0.045 on reference line 308 in /build/mopac-22.0.6+dfsg/tests and -0.045 on output line 308 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -19: WARNING: numerical mismatch between 0.044 on reference line 311 in /build/mopac-22.0.6+dfsg/tests and -0.044 on output line 311 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -19: WARNING: numerical mismatch between 0.044 on reference line 312 in /build/mopac-22.0.6+dfsg/tests and -0.044 on output line 312 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac - 49/118 Test #61: key-AIGIN ........................ Passed 0.85 sec + 48/118 Test #59: key-1SCF ......................... Passed 1.21 sec test 64 Start 64: key-ALLVEC 64: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/keywords" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "ALLVEC.mop" 64: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/keywords 64: Test timeout computed to be: 10000000 - 50/118 Test #19: pdb_compare4 ..................... Passed 3.80 sec +60: +60: +60: MOPAC Job: "A0.mop" ended normally on Jul 5, 2024, at 01:48. +60: +60: WARNING: numerical heat mismatch between -84.51541 on reference line 82 in /build/mopac-22.0.6+dfsg/tests/keywords and -84.51571 on output line 82 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +60: WARNING: numerical mismatch between -353.61246 on reference line 82 in /build/mopac-22.0.6+dfsg/tests/keywords and -353.61374 on output line 82 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +18: WARNING: numerical mismatch between 0.06 on reference line 534 in /build/mopac-22.0.6+dfsg/tests and -0.06 on output line 534 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +18: WARNING: numerical mismatch between 0.058 on reference line 535 in /build/mopac-22.0.6+dfsg/tests and -0.058 on output line 535 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +18: WARNING: numerical mismatch between 0.051 on reference line 536 in /build/mopac-22.0.6+dfsg/tests and -0.051 on output line 536 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +18: WARNING: numerical mismatch between 0.049 on reference line 538 in /build/mopac-22.0.6+dfsg/tests and -0.049 on output line 538 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +18: WARNING: numerical mismatch between 0.047 on reference line 540 in /build/mopac-22.0.6+dfsg/tests and -0.047 on output line 540 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +18: WARNING: numerical mismatch between 0.046 on reference line 542 in /build/mopac-22.0.6+dfsg/tests and -0.046 on output line 542 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +18: WARNING: numerical mismatch between 0.046 on reference line 543 in /build/mopac-22.0.6+dfsg/tests and -0.046 on output line 543 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +18: WARNING: numerical mismatch between 0.041 on reference line 550 in /build/mopac-22.0.6+dfsg/tests and -0.041 on output line 550 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +18: WARNING: numerical mismatch between 0.04 on reference line 555 in /build/mopac-22.0.6+dfsg/tests and -0.04 on output line 555 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +19: +19: +19: MOPAC Job: "Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRX.mop" ended normally on Jul 5, 2024, at 01:48. +19: +61: +61: +61: MOPAC Job: "AIGIN.mop" ended normally on Jul 5, 2024, at 01:48. +61: + 49/118 Test #60: key-A0 ........................... Passed 0.94 sec test 65 Start 65: key-AM1 65: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/keywords" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "AM1.mop" 65: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/keywords 65: Test timeout computed to be: 10000000 -59: - 51/118 Test #17: pdb_compare2 ..................... Passed 4.05 sec +61: WARNING: numerical heat mismatch between -18.19788 on reference line 106 in /build/mopac-22.0.6+dfsg/tests/keywords and -18.19844 on output line 106 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +61: WARNING: numerical mismatch between -76.13994 on reference line 106 in /build/mopac-22.0.6+dfsg/tests/keywords and -76.14227 on output line 106 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +19: WARNING: numerical mismatch between 0.069 on reference line 289 in /build/mopac-22.0.6+dfsg/tests and -0.069 on output line 289 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +19: WARNING: numerical mismatch between 0.063 on reference line 291 in /build/mopac-22.0.6+dfsg/tests and -0.063 on output line 291 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +19: WARNING: numerical mismatch between 0.062 on reference line 292 in /build/mopac-22.0.6+dfsg/tests and -0.062 on output line 292 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +19: WARNING: numerical mismatch between 0.052 on reference line 297 in /build/mopac-22.0.6+dfsg/tests and -0.052 on output line 297 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +19: WARNING: numerical mismatch between 0.051 on reference line 298 in /build/mopac-22.0.6+dfsg/tests and -0.051 on output line 298 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +19: WARNING: numerical mismatch between 0.05 on reference line 299 in /build/mopac-22.0.6+dfsg/tests and -0.05 on output line 299 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +19: WARNING: numerical mismatch between 0.049 on reference line 301 in /build/mopac-22.0.6+dfsg/tests and -0.049 on output line 301 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +19: WARNING: numerical mismatch between 0.047 on reference line 303 in /build/mopac-22.0.6+dfsg/tests and -0.047 on output line 303 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +19: WARNING: numerical mismatch between 0.046 on reference line 306 in /build/mopac-22.0.6+dfsg/tests and -0.046 on output line 306 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +19: WARNING: numerical mismatch between 0.045 on reference line 308 in /build/mopac-22.0.6+dfsg/tests and -0.045 on output line 308 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +19: WARNING: numerical mismatch between 0.044 on reference line 311 in /build/mopac-22.0.6+dfsg/tests and -0.044 on output line 311 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +19: WARNING: numerical mismatch between 0.044 on reference line 312 in /build/mopac-22.0.6+dfsg/tests and -0.044 on output line 312 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac + 50/118 Test #18: pdb_compare3 ..................... Passed 3.60 sec test 66 Start 66: key-ANGSTROMS 66: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/keywords" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "ANGSTROMS.mop" 66: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/keywords 66: Test timeout computed to be: 10000000 -59: -59: MOPAC Job: "1SCF.mop" ended normally on Jun 1, 2023, at 17:21. -59: -59: WARNING: numerical heat mismatch between -84.34612 on reference line 70 in /build/mopac-22.0.6+dfsg/tests/keywords and -84.34643 on output line 70 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -59: WARNING: numerical mismatch between -352.90418 on reference line 70 in /build/mopac-22.0.6+dfsg/tests/keywords and -352.90546 on output line 70 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac - 52/118 Test #59: key-1SCF ......................... Passed 2.22 sec + 51/118 Test #61: key-AIGIN ........................ Passed 0.95 sec test 67 Start 67: key-AUTOSYM @@ -2563,59 +2644,59 @@ 67: Test timeout computed to be: 10000000 63: 63: -63: MOPAC Job: "ALLBONDS.mop" ended normally on Jun 1, 2023, at 17:21. +63: MOPAC Job: "ALLBONDS.mop" ended normally on Jul 5, 2024, at 01:48. 63: -65: -65: -65: MOPAC Job: "AM1.mop" ended normally on Jun 1, 2023, at 17:21. -65: -20: -20: -20: MOPAC Job: "Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRR.mop" ended normally on Jun 1, 2023, at 17:21. -20: -65: WARNING: numerical heat mismatch between -79.8614 on reference line 81 in /build/mopac-22.0.6+dfsg/tests/keywords and -79.86171 on output line 81 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -65: WARNING: numerical mismatch between -334.1401 on reference line 81 in /build/mopac-22.0.6+dfsg/tests/keywords and -334.14139 on output line 81 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -66: -66: -66: MOPAC Job: "ANGSTROMS.mop" ended normally on Jun 1, 2023, at 17:21. -66: -64: -64: -64: MOPAC Job: "ALLVEC.mop" ended normally on Jun 1, 2023, at 17:21. -64: -66: WARNING: numerical heat mismatch between -84.51541 on reference line 82 in /build/mopac-22.0.6+dfsg/tests/keywords and -84.51572 on output line 82 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -66: WARNING: numerical mismatch between -353.61248 on reference line 82 in /build/mopac-22.0.6+dfsg/tests/keywords and -353.61376 on output line 82 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -63: WARNING: numerical heat mismatch between -18.19689 on reference line 86 in /build/mopac-22.0.6+dfsg/tests/keywords and -18.19745 on output line 86 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -63: WARNING: numerical mismatch between -76.13581 on reference line 86 in /build/mopac-22.0.6+dfsg/tests/keywords and -76.13814 on output line 86 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -63: WARNING: numerical heat mismatch between -18.19689 on reference line 252 in /build/mopac-22.0.6+dfsg/tests/keywords and -18.19745 on output line 252 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -63: WARNING: numerical mismatch between -76.13581 on reference line 252 in /build/mopac-22.0.6+dfsg/tests/keywords and -76.13814 on output line 252 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -63: WARNING: numerical heat mismatch between -18.19689 on reference line 426 in /build/mopac-22.0.6+dfsg/tests/keywords and -18.19745 on output line 426 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -63: WARNING: numerical mismatch between -76.13581 on reference line 426 in /build/mopac-22.0.6+dfsg/tests/keywords and -76.13814 on output line 426 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac - 53/118 Test #65: key-AM1 .......................... Passed 0.74 sec + 52/118 Test #19: pdb_compare4 ..................... Passed 3.46 sec test 68 Start 68: key-BIRADICAL 68: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/keywords" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "BIRADICAL.mop" 68: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/keywords 68: Test timeout computed to be: 10000000 -64: WARNING: numerical heat mismatch between -18.19788 on reference line 85 in /build/mopac-22.0.6+dfsg/tests/keywords and -18.19844 on output line 85 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -64: WARNING: numerical mismatch between -76.13994 on reference line 85 in /build/mopac-22.0.6+dfsg/tests/keywords and -76.14227 on output line 85 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -64: WARNING: numerical heat mismatch between -18.19788 on reference line 262 in /build/mopac-22.0.6+dfsg/tests/keywords and -18.19844 on output line 262 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -64: WARNING: numerical mismatch between -76.13994 on reference line 262 in /build/mopac-22.0.6+dfsg/tests/keywords and -76.14227 on output line 262 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac - 54/118 Test #63: key-ALLBONDS ..................... Passed 0.92 sec +63: WARNING: numerical heat mismatch between -18.19689 on reference line 86 in /build/mopac-22.0.6+dfsg/tests/keywords and -18.19745 on output line 86 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +63: WARNING: numerical mismatch between -76.13581 on reference line 86 in /build/mopac-22.0.6+dfsg/tests/keywords and -76.13814 on output line 86 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +63: WARNING: numerical heat mismatch between -18.19689 on reference line 252 in /build/mopac-22.0.6+dfsg/tests/keywords and -18.19745 on output line 252 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +63: WARNING: numerical mismatch between -76.13581 on reference line 252 in /build/mopac-22.0.6+dfsg/tests/keywords and -76.13814 on output line 252 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +63: WARNING: numerical heat mismatch between -18.19689 on reference line 426 in /build/mopac-22.0.6+dfsg/tests/keywords and -18.19745 on output line 426 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +63: WARNING: numerical mismatch between -76.13581 on reference line 426 in /build/mopac-22.0.6+dfsg/tests/keywords and -76.13814 on output line 426 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +64: +64: +64: MOPAC Job: "ALLVEC.mop" ended normally on Jul 5, 2024, at 01:48. +64: +20: +20: +20: MOPAC Job: "Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRR.mop" ended normally on Jul 5, 2024, at 01:48. +20: + 53/118 Test #63: key-ALLBONDS ..................... Passed 0.81 sec test 69 Start 69: key-CdotAdotSdot 69: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/keywords" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "CdotAdotSdot.mop" 69: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/keywords 69: Test timeout computed to be: 10000000 - 55/118 Test #66: key-ANGSTROMS .................... Passed 0.76 sec +64: WARNING: numerical heat mismatch between -18.19788 on reference line 85 in /build/mopac-22.0.6+dfsg/tests/keywords and -18.19844 on output line 85 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +64: WARNING: numerical mismatch between -76.13994 on reference line 85 in /build/mopac-22.0.6+dfsg/tests/keywords and -76.14227 on output line 85 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +64: WARNING: numerical heat mismatch between -18.19788 on reference line 262 in /build/mopac-22.0.6+dfsg/tests/keywords and -18.19844 on output line 262 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +64: WARNING: numerical mismatch between -76.13994 on reference line 262 in /build/mopac-22.0.6+dfsg/tests/keywords and -76.14227 on output line 262 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +67: +67: +67: MOPAC Job: "AUTOSYM.mop" ended normally on Jul 5, 2024, at 01:48. +67: +67: WARNING: numerical heat mismatch between 22.9565 on reference line 102 in /build/mopac-22.0.6+dfsg/tests/keywords and 22.95541 on output line 102 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +67: WARNING: numerical mismatch between 96.05001 on reference line 102 in /build/mopac-22.0.6+dfsg/tests/keywords and 96.04545 on output line 102 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +66: +66: +66: MOPAC Job: "ANGSTROMS.mop" ended normally on Jul 5, 2024, at 01:48. +66: + 54/118 Test #64: key-ALLVEC ....................... Passed 0.97 sec test 70 Start 70: key-CdotIdot 70: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/keywords" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "CdotIdot.mop" 70: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/keywords 70: Test timeout computed to be: 10000000 +66: WARNING: numerical heat mismatch between -84.51541 on reference line 82 in /build/mopac-22.0.6+dfsg/tests/keywords and -84.51572 on output line 82 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +66: WARNING: numerical mismatch between -353.61248 on reference line 82 in /build/mopac-22.0.6+dfsg/tests/keywords and -353.61376 on output line 82 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 20: WARNING: numerical mismatch between 0.058 on reference line 458 in /build/mopac-22.0.6+dfsg/tests and -0.058 on output line 458 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 20: WARNING: numerical mismatch between 0.046 on reference line 460 in /build/mopac-22.0.6+dfsg/tests and -0.046 on output line 460 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 20: WARNING: numerical mismatch between 0.045 on reference line 461 in /build/mopac-22.0.6+dfsg/tests and -0.045 on output line 461 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac @@ -2629,120 +2710,125 @@ 20: WARNING: numerical mismatch between 0.031 on reference line 476 in /build/mopac-22.0.6+dfsg/tests and -0.031 on output line 476 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 20: WARNING: numerical mismatch between 0.03 on reference line 479 in /build/mopac-22.0.6+dfsg/tests and -0.03 on output line 479 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 20: WARNING: numerical mismatch between 0.029 on reference line 481 in /build/mopac-22.0.6+dfsg/tests and -0.029 on output line 481 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac - 56/118 Test #64: key-ALLVEC ....................... Passed 0.95 sec +65: +65: +65: MOPAC Job: "AM1.mop" ended normally on Jul 5, 2024, at 01:48. +65: +65: WARNING: numerical heat mismatch between -79.8614 on reference line 81 in /build/mopac-22.0.6+dfsg/tests/keywords and -79.86171 on output line 81 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +65: WARNING: numerical mismatch between -334.1401 on reference line 81 in /build/mopac-22.0.6+dfsg/tests/keywords and -334.14139 on output line 81 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac + 55/118 Test #66: key-ANGSTROMS .................... Passed 0.67 sec test 71 Start 71: key-CdotIdotDdot 71: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/keywords" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "CdotIdotDdot.mop" 71: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/keywords 71: Test timeout computed to be: 10000000 - 57/118 Test #20: pdb_compare5 ..................... Passed 4.77 sec + 56/118 Test #65: key-AM1 .......................... Passed 1.06 sec test 72 Start 72: key-CHARGE 72: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/keywords" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "CHARGE.mop" 72: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/keywords 72: Test timeout computed to be: 10000000 -67: -67: -67: MOPAC Job: "AUTOSYM.mop" ended normally on Jun 1, 2023, at 17:21. -67: -67: WARNING: numerical heat mismatch between 22.9565 on reference line 102 in /build/mopac-22.0.6+dfsg/tests/keywords and 22.95541 on output line 102 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -67: WARNING: numerical mismatch between 96.05001 on reference line 102 in /build/mopac-22.0.6+dfsg/tests/keywords and 96.04545 on output line 102 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac - 58/118 Test #67: key-AUTOSYM ...................... Passed 1.02 sec + 57/118 Test #20: pdb_compare5 ..................... Passed 4.22 sec test 73 Start 73: key-CIS 73: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/keywords" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "CIS.mop" 73: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/keywords 73: Test timeout computed to be: 10000000 -70: -70: -70: MOPAC Job: "CdotIdot.mop" ended normally on Jun 1, 2023, at 17:21. -70: -72: -72: -72: MOPAC Job: "CHARGE.mop" ended normally on Jun 1, 2023, at 17:21. -72: -72: WARNING: numerical mismatch between 869.38904 on reference line 78 in /build/mopac-22.0.6+dfsg/tests/keywords and 869.38917 on output line 78 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -72: WARNING: numerical heat mismatch between 360.4549 on reference line 210 in /build/mopac-22.0.6+dfsg/tests/keywords and 360.45506 on output line 210 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -72: WARNING: numerical mismatch between 1508.14332 on reference line 210 in /build/mopac-22.0.6+dfsg/tests/keywords and 1508.14397 on output line 210 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -72: WARNING: numerical mismatch between 981.81163 on reference line 359 in /build/mopac-22.0.6+dfsg/tests/keywords and 981.81185 on output line 359 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -71: -71: -71: MOPAC Job: "CdotIdotDdot.mop" ended normally on Jun 1, 2023, at 17:21. -71: -70: WARNING: numerical heat mismatch between 14.6638 on reference line 76 in /build/mopac-22.0.6+dfsg/tests/keywords and 14.66335 on output line 76 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -70: WARNING: numerical mismatch between 61.35332 on reference line 76 in /build/mopac-22.0.6+dfsg/tests/keywords and 61.35146 on output line 76 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -70: WARNING: numerical heat mismatch between 8.74306 on reference line 235 in /build/mopac-22.0.6+dfsg/tests/keywords and 8.74262 on output line 235 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -70: WARNING: numerical mismatch between 36.58098 on reference line 235 in /build/mopac-22.0.6+dfsg/tests/keywords and 36.57911 on output line 235 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -70: WARNING: numerical heat mismatch between 8.74306 on reference line 394 in /build/mopac-22.0.6+dfsg/tests/keywords and 8.74262 on output line 394 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -70: WARNING: numerical mismatch between 36.58098 on reference line 394 in /build/mopac-22.0.6+dfsg/tests/keywords and 36.57911 on output line 394 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac - 59/118 Test #72: key-CHARGE ....................... Passed 0.83 sec + 58/118 Test #67: key-AUTOSYM ...................... Passed 0.92 sec test 74 Start 74: key-CISD 74: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/keywords" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "CISD.mop" 74: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/keywords 74: Test timeout computed to be: 10000000 -73: -73: -73: MOPAC Job: "CIS.mop" ended normally on Jun 1, 2023, at 17:21. -73: - 60/118 Test #70: key-CdotIdot ..................... Passed 1.13 sec +71: +71: +71: MOPAC Job: "CdotIdotDdot.mop" ended normally on Jul 5, 2024, at 01:48. +71: +70: +70: +70: MOPAC Job: "CdotIdot.mop" ended normally on Jul 5, 2024, at 01:48. +70: + 59/118 Test #71: key-CdotIdotDdot ................. Passed 0.64 sec test 75 Start 75: key-CISDT 75: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/keywords" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "CISDT.mop" 75: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/keywords 75: Test timeout computed to be: 10000000 - 61/118 Test #71: key-CdotIdotDdot ................. Passed 1.05 sec +70: WARNING: numerical heat mismatch between 14.6638 on reference line 76 in /build/mopac-22.0.6+dfsg/tests/keywords and 14.66335 on output line 76 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +70: WARNING: numerical mismatch between 61.35332 on reference line 76 in /build/mopac-22.0.6+dfsg/tests/keywords and 61.35146 on output line 76 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +70: WARNING: numerical heat mismatch between 8.74306 on reference line 235 in /build/mopac-22.0.6+dfsg/tests/keywords and 8.74262 on output line 235 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +70: WARNING: numerical mismatch between 36.58098 on reference line 235 in /build/mopac-22.0.6+dfsg/tests/keywords and 36.57911 on output line 235 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +70: WARNING: numerical heat mismatch between 8.74306 on reference line 394 in /build/mopac-22.0.6+dfsg/tests/keywords and 8.74262 on output line 394 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +70: WARNING: numerical mismatch between 36.58098 on reference line 394 in /build/mopac-22.0.6+dfsg/tests/keywords and 36.57911 on output line 394 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac + 60/118 Test #70: key-CdotIdot ..................... Passed 1.16 sec test 76 Start 76: key-DISP 76: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/keywords" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "DISP.mop" 76: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/keywords 76: Test timeout computed to be: 10000000 +73: +73: +73: MOPAC Job: "CIS.mop" ended normally on Jul 5, 2024, at 01:48. +73: +72: +72: +72: MOPAC Job: "CHARGE.mop" ended normally on Jul 5, 2024, at 01:48. +72: +72: WARNING: numerical mismatch between 869.38904 on reference line 78 in /build/mopac-22.0.6+dfsg/tests/keywords and 869.38917 on output line 78 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +72: WARNING: numerical heat mismatch between 360.4549 on reference line 210 in /build/mopac-22.0.6+dfsg/tests/keywords and 360.45506 on output line 210 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +72: WARNING: numerical mismatch between 1508.14332 on reference line 210 in /build/mopac-22.0.6+dfsg/tests/keywords and 1508.14397 on output line 210 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +72: WARNING: numerical mismatch between 981.81163 on reference line 359 in /build/mopac-22.0.6+dfsg/tests/keywords and 981.81185 on output line 359 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 73: WARNING: numerical heat mismatch between 8.74306 on reference line 78 in /build/mopac-22.0.6+dfsg/tests/keywords and 8.74262 on output line 78 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 73: WARNING: numerical mismatch between 36.58098 on reference line 78 in /build/mopac-22.0.6+dfsg/tests/keywords and 36.57911 on output line 78 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 73: WARNING: numerical heat mismatch between 14.6638 on reference line 273 in /build/mopac-22.0.6+dfsg/tests/keywords and 14.66335 on output line 273 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 73: WARNING: numerical mismatch between 61.35332 on reference line 273 in /build/mopac-22.0.6+dfsg/tests/keywords and 61.35146 on output line 273 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac - 62/118 Test #73: key-CIS .......................... Passed 0.78 sec -test 77 - Start 77: key-DOUBLET - -77: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/keywords" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "DOUBLET.mop" -77: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/keywords -77: Test timeout computed to be: 10000000 74: 74: -74: MOPAC Job: "CISD.mop" ended normally on Jun 1, 2023, at 17:21. +74: MOPAC Job: "CISD.mop" ended normally on Jul 5, 2024, at 01:48. 74: -77: -77: -77: MOPAC Job: "DOUBLET.mop" ended normally on Jun 1, 2023, at 17:21. -77: 74: WARNING: numerical heat mismatch between 7.84782 on reference line 78 in /build/mopac-22.0.6+dfsg/tests/keywords and 7.84737 on output line 78 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 74: WARNING: numerical mismatch between 32.83528 on reference line 78 in /build/mopac-22.0.6+dfsg/tests/keywords and 32.8334 on output line 78 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 74: WARNING: numerical heat mismatch between 7.85711 on reference line 401 in /build/mopac-22.0.6+dfsg/tests/keywords and 7.85666 on output line 401 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 74: WARNING: numerical mismatch between 32.87415 on reference line 401 in /build/mopac-22.0.6+dfsg/tests/keywords and 32.87228 on output line 401 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -76: -76: -76: MOPAC Job: "DISP.mop" ended normally on Jun 1, 2023, at 17:21. -76: -77: WARNING: numerical mismatch between 463.20296 on reference line 73 in /build/mopac-22.0.6+dfsg/tests/keywords and 463.20323 on output line 73 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -77: WARNING: numerical mismatch between 463.20296 on reference line 222 in /build/mopac-22.0.6+dfsg/tests/keywords and 463.20323 on output line 222 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -77: WARNING: numerical mismatch between 580.44941 on reference line 371 in /build/mopac-22.0.6+dfsg/tests/keywords and 580.44979 on output line 371 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -77: WARNING: numerical mismatch between 580.44941 on reference line 503 in /build/mopac-22.0.6+dfsg/tests/keywords and 580.44979 on output line 503 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -77: WARNING: numerical mismatch between 580.44941 on reference line 638 in /build/mopac-22.0.6+dfsg/tests/keywords and 580.44979 on output line 638 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -77: WARNING: numerical mismatch between 580.44941 on reference line 801 in /build/mopac-22.0.6+dfsg/tests/keywords and 580.44979 on output line 801 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac - 63/118 Test #74: key-CISD ......................... Passed 1.05 sec + 61/118 Test #72: key-CHARGE ....................... Passed 1.21 sec +test 77 + Start 77: key-DOUBLET + +77: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/keywords" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "DOUBLET.mop" +77: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/keywords +77: Test timeout computed to be: 10000000 + 62/118 Test #73: key-CIS .......................... Passed 1.21 sec test 78 Start 78: key-EXCITED 78: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/keywords" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "EXCITED.mop" 78: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/keywords 78: Test timeout computed to be: 10000000 + 63/118 Test #74: key-CISD ......................... Passed 1.40 sec +test 79 + Start 79: key-EXTERNAL + +79: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/keywords" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "EXTERNAL.mop" "EXTERNAL.dat" +79: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/keywords +79: Test timeout computed to be: 10000000 +68: +68: +68: MOPAC Job: "BIRADICAL.mop" ended normally on Jul 5, 2024, at 01:48. +68: +76: +76: +76: MOPAC Job: "DISP.mop" ended normally on Jul 5, 2024, at 01:48. +76: +68: WARNING: numerical heat mismatch between 86.55356 on reference line 118 in /build/mopac-22.0.6+dfsg/tests/keywords and 86.55281 on output line 118 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +68: WARNING: numerical mismatch between 362.14011 on reference line 118 in /build/mopac-22.0.6+dfsg/tests/keywords and 362.13696 on output line 118 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +68: WARNING: numerical heat mismatch between 86.55356 on reference line 334 in /build/mopac-22.0.6+dfsg/tests/keywords and 86.55281 on output line 334 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +68: WARNING: numerical mismatch between 362.14011 on reference line 334 in /build/mopac-22.0.6+dfsg/tests/keywords and 362.13696 on output line 334 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 76: WARNING: numerical heat mismatch between -192.3822 on reference line 86 in /build/mopac-22.0.6+dfsg/tests/keywords and -192.38299 on output line 86 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 76: WARNING: numerical mismatch between -804.92711 on reference line 86 in /build/mopac-22.0.6+dfsg/tests/keywords and -804.93045 on output line 86 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 76: WARNING: numerical mismatch between -33809.56058 on reference line 88 in /build/mopac-22.0.6+dfsg/tests/keywords and -33809.58819 on output line 88 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac @@ -2759,14 +2845,11 @@ 76: WARNING: numerical mismatch between -192.3822 on reference line 293 in /build/mopac-22.0.6+dfsg/tests/keywords and -192.38299 on output line 293 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 76: WARNING: numerical mismatch between -4519.7709 on reference line 304 in /build/mopac-22.0.6+dfsg/tests/keywords and -4519.77115 on output line 304 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 76: WARNING: numerical mismatch between 3053.64839 on reference line 305 in /build/mopac-22.0.6+dfsg/tests/keywords and 3053.64864 on output line 305 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac - 64/118 Test #77: key-DOUBLET ...................... Passed 0.80 sec -test 79 - Start 79: key-EXTERNAL - -79: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/keywords" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "EXTERNAL.mop" "EXTERNAL.dat" -79: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/keywords -79: Test timeout computed to be: 10000000 - 65/118 Test #76: key-DISP ......................... Passed 1.07 sec +77: +77: +77: MOPAC Job: "DOUBLET.mop" ended normally on Jul 5, 2024, at 01:48. +77: + 64/118 Test #68: key-BIRADICAL .................... Passed 2.97 sec test 80 Start 80: key-EXTERNAL-2 @@ -2775,85 +2858,77 @@ 80: Test timeout computed to be: 10000000 79: 79: -79: MOPAC Job: "EXTERNAL.mop" ended normally on Jun 1, 2023, at 17:21. +79: MOPAC Job: "EXTERNAL.mop" ended normally on Jul 5, 2024, at 01:48. 79: - 66/118 Test #79: key-EXTERNAL ..................... Passed 0.72 sec + 65/118 Test #76: key-DISP ......................... Passed 1.51 sec test 81 Start 81: key-INDO 81: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/keywords" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "INDO.mop" 81: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/keywords 81: Test timeout computed to be: 10000000 -68: -68: -68: MOPAC Job: "BIRADICAL.mop" ended normally on Jun 1, 2023, at 17:21. -68: -68: WARNING: numerical heat mismatch between 86.55356 on reference line 118 in /build/mopac-22.0.6+dfsg/tests/keywords and 86.55281 on output line 118 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -68: WARNING: numerical mismatch between 362.14011 on reference line 118 in /build/mopac-22.0.6+dfsg/tests/keywords and 362.13696 on output line 118 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -68: WARNING: numerical heat mismatch between 86.55356 on reference line 334 in /build/mopac-22.0.6+dfsg/tests/keywords and 86.55281 on output line 334 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -68: WARNING: numerical mismatch between 362.14011 on reference line 334 in /build/mopac-22.0.6+dfsg/tests/keywords and 362.13696 on output line 334 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -80: -80: -80: MOPAC Job: "EXTERNAL_2.mop" ended normally on Jun 1, 2023, at 17:21. -80: - 67/118 Test #68: key-BIRADICAL .................... Passed 3.24 sec +77: WARNING: numerical mismatch between 463.20296 on reference line 73 in /build/mopac-22.0.6+dfsg/tests/keywords and 463.20323 on output line 73 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +77: WARNING: numerical mismatch between 463.20296 on reference line 222 in /build/mopac-22.0.6+dfsg/tests/keywords and 463.20323 on output line 222 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +77: WARNING: numerical mismatch between 580.44941 on reference line 371 in /build/mopac-22.0.6+dfsg/tests/keywords and 580.44979 on output line 371 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +77: WARNING: numerical mismatch between 580.44941 on reference line 503 in /build/mopac-22.0.6+dfsg/tests/keywords and 580.44979 on output line 503 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +77: WARNING: numerical mismatch between 580.44941 on reference line 638 in /build/mopac-22.0.6+dfsg/tests/keywords and 580.44979 on output line 638 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +77: WARNING: numerical mismatch between 580.44941 on reference line 801 in /build/mopac-22.0.6+dfsg/tests/keywords and 580.44979 on output line 801 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac + 66/118 Test #77: key-DOUBLET ...................... Passed 1.41 sec test 82 Start 82: key-MAXCI 82: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/keywords" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "MAXCI.mop" 82: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/keywords 82: Test timeout computed to be: 10000000 - 68/118 Test #80: key-EXTERNAL-2 ................... Passed 1.04 sec + 67/118 Test #79: key-EXTERNAL ..................... Passed 1.20 sec test 83 Start 83: key-MECI 83: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/keywords" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "MECI.mop" 83: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/keywords 83: Test timeout computed to be: 10000000 +80: +80: +80: MOPAC Job: "EXTERNAL_2.mop" ended normally on Jul 5, 2024, at 01:48. +80: 81: 81: -81: MOPAC Job: "INDO.mop" ended normally on Jun 1, 2023, at 17:21. +81: MOPAC Job: "INDO.mop" ended normally on Jul 5, 2024, at 01:48. 81: 81: WARNING: numerical heat mismatch between 14.6638 on reference line 76 in /build/mopac-22.0.6+dfsg/tests/keywords and 14.66335 on output line 76 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 81: WARNING: numerical mismatch between 61.35332 on reference line 76 in /build/mopac-22.0.6+dfsg/tests/keywords and 61.35146 on output line 76 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac - 69/118 Test #81: key-INDO ......................... Passed 0.69 sec +83: +83: +83: MOPAC Job: "MECI.mop" ended normally on Jul 5, 2024, at 01:48. +83: +83: WARNING: numerical heat mismatch between 8.74306 on reference line 78 in /build/mopac-22.0.6+dfsg/tests/keywords and 8.74262 on output line 78 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +83: WARNING: numerical mismatch between 36.58098 on reference line 78 in /build/mopac-22.0.6+dfsg/tests/keywords and 36.57911 on output line 78 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac + 68/118 Test #81: key-INDO ......................... Passed 0.92 sec test 84 Start 84: key-MNDO 84: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/keywords" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "MNDO.mop" 84: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/keywords 84: Test timeout computed to be: 10000000 -82: -82: -82: MOPAC Job: "MAXCI.mop" ended normally on Jun 1, 2023, at 17:21. -82: -83: -83: -83: MOPAC Job: "MECI.mop" ended normally on Jun 1, 2023, at 17:21. -83: - 70/118 Test #82: key-MAXCI ........................ Passed 0.82 sec + 69/118 Test #80: key-EXTERNAL-2 ................... Passed 1.14 sec test 85 Start 85: key-MNDOD 85: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/keywords" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "MNDOD.mop" 85: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/keywords 85: Test timeout computed to be: 10000000 -83: WARNING: numerical heat mismatch between 8.74306 on reference line 78 in /build/mopac-22.0.6+dfsg/tests/keywords and 8.74262 on output line 78 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -83: WARNING: numerical mismatch between 36.58098 on reference line 78 in /build/mopac-22.0.6+dfsg/tests/keywords and 36.57911 on output line 78 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -84: -84: -84: MOPAC Job: "MNDO.mop" ended normally on Jun 1, 2023, at 17:21. -84: -84: WARNING: numerical heat mismatch between -75.10973 on reference line 81 in /build/mopac-22.0.6+dfsg/tests/keywords and -75.11002 on output line 81 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -84: WARNING: numerical mismatch between -314.25912 on reference line 81 in /build/mopac-22.0.6+dfsg/tests/keywords and -314.26034 on output line 81 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac - 71/118 Test #83: key-MECI ......................... Passed 0.89 sec + 70/118 Test #83: key-MECI ......................... Passed 0.70 sec test 86 Start 86: key-MRCI 86: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/keywords" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "MRCI.mop" 86: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/keywords 86: Test timeout computed to be: 10000000 - 72/118 Test #84: key-MNDO ......................... Passed 0.67 sec +82: +82: +82: MOPAC Job: "MAXCI.mop" ended normally on Jul 5, 2024, at 01:48. +82: + 71/118 Test #82: key-MAXCI ........................ Passed 0.96 sec test 87 Start 87: key-MS @@ -2862,31 +2937,40 @@ 87: Test timeout computed to be: 10000000 85: 85: -85: MOPAC Job: "MNDOD.mop" ended normally on Jun 1, 2023, at 17:21. +85: MOPAC Job: "MNDOD.mop" ended normally on Jul 5, 2024, at 01:48. 85: - 73/118 Test #85: key-MNDOD ........................ Passed 0.94 sec +84: +84: +84: MOPAC Job: "MNDO.mop" ended normally on Jul 5, 2024, at 01:48. +84: + 72/118 Test #85: key-MNDOD ........................ Passed 0.71 sec test 88 Start 88: key-NOANCI 88: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/keywords" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "NOANCI.mop" 88: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/keywords 88: Test timeout computed to be: 10000000 -52: -52: -52: MOPAC Job: "poly_c8.mop" ended normally on Jun 1, 2023, at 17:21. -52: -78: -78: -78: MOPAC Job: "EXCITED.mop" ended normally on Jun 1, 2023, at 17:21. -78: -86: -86: -86: MOPAC Job: "MRCI.mop" ended normally on Jun 1, 2023, at 17:21. -86: +84: WARNING: numerical heat mismatch between -75.10973 on reference line 81 in /build/mopac-22.0.6+dfsg/tests/keywords and -75.11002 on output line 81 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +84: WARNING: numerical mismatch between -314.25912 on reference line 81 in /build/mopac-22.0.6+dfsg/tests/keywords and -314.26034 on output line 81 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac + 73/118 Test #84: key-MNDO ......................... Passed 1.04 sec +test 89 + Start 89: key-NONET + +89: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/keywords" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "NONET.mop" +89: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/keywords +89: Test timeout computed to be: 10000000 87: 87: -87: MOPAC Job: "MS.mop" ended normally on Jun 1, 2023, at 17:21. +87: MOPAC Job: "MS.mop" ended normally on Jul 5, 2024, at 01:48. 87: +86: +86: +86: MOPAC Job: "MRCI.mop" ended normally on Jul 5, 2024, at 01:48. +86: +78: +78: +78: MOPAC Job: "EXCITED.mop" ended normally on Jul 5, 2024, at 01:48. +78: 78: WARNING: numerical heat mismatch between 99.38335 on reference line 124 in /build/mopac-22.0.6+dfsg/tests/keywords and 99.3826 on output line 120 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 78: WARNING: numerical mismatch between 415.81994 on reference line 124 in /build/mopac-22.0.6+dfsg/tests/keywords and 415.81679 on output line 120 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 78: WARNING: numerical mismatch between 165.767543 on reference line 154 in /build/mopac-22.0.6+dfsg/tests/keywords and 165.778127 on output line 150 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac @@ -2923,52 +3007,53 @@ 78: WARNING: numerical mismatch between -72.170109 on reference line 431 in /build/mopac-22.0.6+dfsg/tests/keywords and -72.178671 on output line 423 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 78: WARNING: numerical mismatch between 11.794108 on reference line 434 in /build/mopac-22.0.6+dfsg/tests/keywords and 11.794216 on output line 426 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 78: WARNING: numerical mismatch between 10.601154 on reference line 436 in /build/mopac-22.0.6+dfsg/tests/keywords and 10.601289 on output line 428 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac - 74/118 Test #86: key-MRCI ......................... Passed 1.35 sec -test 89 - Start 89: key-NONET - -89: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/keywords" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "NONET.mop" -89: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/keywords -89: Test timeout computed to be: 10000000 -69: -69: -69: MOPAC Job: "CdotAdotSdot.mop" ended normally on Jun 1, 2023, at 17:21. -69: - 75/118 Test #52: poly_c8 .......................... Passed 10.72 sec + 74/118 Test #86: key-MRCI ......................... Passed 1.21 sec test 90 Start 90: key-NOSYM 90: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/keywords" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "NOSYM.mop" 90: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/keywords 90: Test timeout computed to be: 10000000 -88: -88: -88: MOPAC Job: "NOANCI.mop" ended normally on Jun 1, 2023, at 17:21. -88: - 76/118 Test #78: key-EXCITED ...................... Passed 3.53 sec + 75/118 Test #87: key-MS ........................... Passed 1.02 sec test 91 Start 91: key-OCTET 91: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/keywords" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "OCTET.mop" 91: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/keywords 91: Test timeout computed to be: 10000000 -88: WARNING: numerical mismatch between 32.92723 on reference line 84 in /build/mopac-22.0.6+dfsg/tests/keywords and 32.92687 on output line 84 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -88: WARNING: numerical mismatch between 32.92723 on reference line 236 in /build/mopac-22.0.6+dfsg/tests/keywords and 32.92688 on output line 236 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac - 77/118 Test #87: key-MS ........................... Passed 1.46 sec + 76/118 Test #78: key-EXCITED ...................... Passed 3.46 sec test 92 Start 92: key-OPEN 92: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/keywords" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "OPEN.mop" 92: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/keywords 92: Test timeout computed to be: 10000000 - 78/118 Test #88: key-NOANCI ....................... Passed 0.80 sec +88: +88: +88: MOPAC Job: "NOANCI.mop" ended normally on Jul 5, 2024, at 01:48. +88: +88: WARNING: numerical mismatch between 32.92723 on reference line 84 in /build/mopac-22.0.6+dfsg/tests/keywords and 32.92687 on output line 84 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +88: WARNING: numerical mismatch between 32.92723 on reference line 236 in /build/mopac-22.0.6+dfsg/tests/keywords and 32.92688 on output line 236 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +89: +89: +89: MOPAC Job: "NONET.mop" ended normally on Jul 5, 2024, at 01:48. +89: + 77/118 Test #88: key-NOANCI ....................... Passed 0.95 sec test 93 Start 93: key-PECI 93: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/keywords" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "PECI.mop" 93: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/keywords 93: Test timeout computed to be: 10000000 - 79/118 Test #69: key-CdotAdotSdot ................. Passed 5.88 sec +89: WARNING: numerical heat mismatch between 1889.18768 on reference line 73 in /build/mopac-22.0.6+dfsg/tests/keywords and 1889.18921 on output line 73 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +89: WARNING: numerical mismatch between 7904.36124 on reference line 73 in /build/mopac-22.0.6+dfsg/tests/keywords and 7904.36764 on output line 73 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +89: WARNING: numerical heat mismatch between 1889.18768 on reference line 222 in /build/mopac-22.0.6+dfsg/tests/keywords and 1889.18921 on output line 222 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +89: WARNING: numerical mismatch between 7904.36124 on reference line 222 in /build/mopac-22.0.6+dfsg/tests/keywords and 7904.36764 on output line 222 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +89: WARNING: numerical heat mismatch between 1889.18768 on reference line 374 in /build/mopac-22.0.6+dfsg/tests/keywords and 1889.18921 on output line 374 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +89: WARNING: numerical mismatch between 7904.36124 on reference line 374 in /build/mopac-22.0.6+dfsg/tests/keywords and 7904.36764 on output line 374 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +89: WARNING: numerical heat mismatch between 1889.18768 on reference line 536 in /build/mopac-22.0.6+dfsg/tests/keywords and 1889.18921 on output line 536 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +89: WARNING: numerical mismatch between 7904.36124 on reference line 536 in /build/mopac-22.0.6+dfsg/tests/keywords and 7904.36764 on output line 536 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac + 78/118 Test #89: key-NONET ........................ Passed 0.93 sec test 94 Start 94: key-PM3 @@ -2977,12 +3062,16 @@ 94: Test timeout computed to be: 10000000 91: 91: -91: MOPAC Job: "OCTET.mop" ended normally on Jun 1, 2023, at 17:21. +91: MOPAC Job: "OCTET.mop" ended normally on Jul 5, 2024, at 01:48. 91: -89: -89: -89: MOPAC Job: "NONET.mop" ended normally on Jun 1, 2023, at 17:21. -89: +90: +90: +90: MOPAC Job: "NOSYM.mop" ended normally on Jul 5, 2024, at 01:48. +90: +69: +69: +69: MOPAC Job: "CdotAdotSdot.mop" ended normally on Jul 5, 2024, at 01:48. +69: 91: WARNING: numerical heat mismatch between 2654.15927 on reference line 73 in /build/mopac-22.0.6+dfsg/tests/keywords and 2654.16139 on output line 73 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 91: WARNING: numerical mismatch between 11105.0024 on reference line 73 in /build/mopac-22.0.6+dfsg/tests/keywords and 11105.01124 on output line 73 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 91: WARNING: numerical heat mismatch between 2654.15927 on reference line 222 in /build/mopac-22.0.6+dfsg/tests/keywords and 2654.16139 on output line 222 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac @@ -2991,234 +3080,235 @@ 91: WARNING: numerical mismatch between 11105.0024 on reference line 374 in /build/mopac-22.0.6+dfsg/tests/keywords and 11105.01124 on output line 374 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 91: WARNING: numerical heat mismatch between 2654.15927 on reference line 535 in /build/mopac-22.0.6+dfsg/tests/keywords and 2654.16139 on output line 535 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 91: WARNING: numerical mismatch between 11105.0024 on reference line 535 in /build/mopac-22.0.6+dfsg/tests/keywords and 11105.01124 on output line 535 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +90: WARNING: numerical heat mismatch between -14.38448 on reference line 77 in /build/mopac-22.0.6+dfsg/tests/keywords and -14.38481 on output line 77 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +90: WARNING: numerical mismatch between -60.18468 on reference line 77 in /build/mopac-22.0.6+dfsg/tests/keywords and -60.18604 on output line 77 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +90: WARNING: numerical heat mismatch between -14.38448 on reference line 320 in /build/mopac-22.0.6+dfsg/tests/keywords and -14.38481 on output line 320 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +90: WARNING: numerical mismatch between -60.18468 on reference line 320 in /build/mopac-22.0.6+dfsg/tests/keywords and -60.18604 on output line 320 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 92: 92: -92: MOPAC Job: "OPEN.mop" ended normally on Jun 1, 2023, at 17:21. +92: MOPAC Job: "OPEN.mop" ended normally on Jul 5, 2024, at 01:48. 92: -21: -21: -21: MOPAC Job: "Compare_PDB_Bacteriorhodopsin_1AP9_and_1AT9.mop" ended normally on Jun 1, 2023, at 17:21. -21: -93: -93: -93: MOPAC Job: "PECI.mop" ended normally on Jun 1, 2023, at 17:21. -93: - 80/118 Test #91: key-OCTET ........................ Passed 0.81 sec + 79/118 Test #90: key-NOSYM ........................ Passed 1.08 sec test 95 Start 95: key-PM6 95: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/keywords" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "PM6.mop" 95: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/keywords 95: Test timeout computed to be: 10000000 -89: WARNING: numerical heat mismatch between 1889.18768 on reference line 73 in /build/mopac-22.0.6+dfsg/tests/keywords and 1889.18921 on output line 73 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -89: WARNING: numerical mismatch between 7904.36124 on reference line 73 in /build/mopac-22.0.6+dfsg/tests/keywords and 7904.36764 on output line 73 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -89: WARNING: numerical heat mismatch between 1889.18768 on reference line 222 in /build/mopac-22.0.6+dfsg/tests/keywords and 1889.18921 on output line 222 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -89: WARNING: numerical mismatch between 7904.36124 on reference line 222 in /build/mopac-22.0.6+dfsg/tests/keywords and 7904.36764 on output line 222 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -89: WARNING: numerical heat mismatch between 1889.18768 on reference line 374 in /build/mopac-22.0.6+dfsg/tests/keywords and 1889.18921 on output line 374 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -89: WARNING: numerical mismatch between 7904.36124 on reference line 374 in /build/mopac-22.0.6+dfsg/tests/keywords and 7904.36764 on output line 374 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -89: WARNING: numerical heat mismatch between 1889.18768 on reference line 536 in /build/mopac-22.0.6+dfsg/tests/keywords and 1889.18921 on output line 536 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -89: WARNING: numerical mismatch between 7904.36124 on reference line 536 in /build/mopac-22.0.6+dfsg/tests/keywords and 7904.36764 on output line 536 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -93: WARNING: numerical heat mismatch between 7.84782 on reference line 78 in /build/mopac-22.0.6+dfsg/tests/keywords and 7.84737 on output line 78 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -93: WARNING: numerical mismatch between 32.83528 on reference line 78 in /build/mopac-22.0.6+dfsg/tests/keywords and 32.8334 on output line 78 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -93: WARNING: numerical heat mismatch between 8.61328 on reference line 401 in /build/mopac-22.0.6+dfsg/tests/keywords and 8.61283 on output line 401 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -93: WARNING: numerical mismatch between 36.03795 on reference line 401 in /build/mopac-22.0.6+dfsg/tests/keywords and 36.03607 on output line 401 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -90: -90: -90: MOPAC Job: "NOSYM.mop" ended normally on Jun 1, 2023, at 17:21. -90: -92: WARNING: numerical mismatch between 1250.10713 on reference line 88 in /build/mopac-22.0.6+dfsg/tests/keywords and 1250.10688 on output line 88 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -92: WARNING: numerical mismatch between 1245.97296 on reference line 284 in /build/mopac-22.0.6+dfsg/tests/keywords and 1245.97271 on output line 284 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -92: WARNING: numerical mismatch between 1250.10713 on reference line 670 in /build/mopac-22.0.6+dfsg/tests/keywords and 1250.10688 on output line 670 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -92: WARNING: numerical mismatch between 1247.47435 on reference line 1042 in /build/mopac-22.0.6+dfsg/tests/keywords and 1247.4741 on output line 1042 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac - 81/118 Test #89: key-NONET ........................ Passed 1.06 sec + 80/118 Test #91: key-OCTET ........................ Passed 1.04 sec test 96 Start 96: key-PM6-D3 96: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/keywords" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "PM6-D3.mop" 96: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/keywords 96: Test timeout computed to be: 10000000 - 82/118 Test #92: key-OPEN ......................... Passed 0.98 sec +93: +93: +93: MOPAC Job: "PECI.mop" ended normally on Jul 5, 2024, at 01:48. +93: + 81/118 Test #69: key-CdotAdotSdot ................. Passed 6.20 sec test 97 Start 97: key-PM6-D3H4 97: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/keywords" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "PM6-D3H4.mop" 97: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/keywords 97: Test timeout computed to be: 10000000 - 83/118 Test #93: key-PECI ......................... Passed 0.91 sec +93: WARNING: numerical heat mismatch between 7.84782 on reference line 78 in /build/mopac-22.0.6+dfsg/tests/keywords and 7.84737 on output line 78 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +93: WARNING: numerical mismatch between 32.83528 on reference line 78 in /build/mopac-22.0.6+dfsg/tests/keywords and 32.8334 on output line 78 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +93: WARNING: numerical heat mismatch between 8.61328 on reference line 401 in /build/mopac-22.0.6+dfsg/tests/keywords and 8.61283 on output line 401 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +93: WARNING: numerical mismatch between 36.03795 on reference line 401 in /build/mopac-22.0.6+dfsg/tests/keywords and 36.03607 on output line 401 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +94: +94: +94: MOPAC Job: "PM3.mop" ended normally on Jul 5, 2024, at 01:48. +94: + 82/118 Test #93: key-PECI ......................... Passed 0.92 sec test 98 Start 98: key-PM6-D3H4X 98: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/keywords" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "PM6-D3H4X.mop" 98: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/keywords 98: Test timeout computed to be: 10000000 -94: -94: -94: MOPAC Job: "PM3.mop" ended normally on Jun 1, 2023, at 17:21. -94: -90: WARNING: numerical heat mismatch between -14.38448 on reference line 77 in /build/mopac-22.0.6+dfsg/tests/keywords and -14.38481 on output line 77 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -90: WARNING: numerical mismatch between -60.18468 on reference line 77 in /build/mopac-22.0.6+dfsg/tests/keywords and -60.18604 on output line 77 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -90: WARNING: numerical heat mismatch between -14.38448 on reference line 320 in /build/mopac-22.0.6+dfsg/tests/keywords and -14.38481 on output line 320 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -90: WARNING: numerical mismatch between -60.18468 on reference line 320 in /build/mopac-22.0.6+dfsg/tests/keywords and -60.18604 on output line 320 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +92: WARNING: numerical mismatch between 1250.10713 on reference line 88 in /build/mopac-22.0.6+dfsg/tests/keywords and 1250.10688 on output line 88 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +92: WARNING: numerical mismatch between 1245.97296 on reference line 284 in /build/mopac-22.0.6+dfsg/tests/keywords and 1245.97271 on output line 284 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +92: WARNING: numerical mismatch between 1250.10713 on reference line 670 in /build/mopac-22.0.6+dfsg/tests/keywords and 1250.10688 on output line 670 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +92: WARNING: numerical mismatch between 1247.47435 on reference line 1042 in /build/mopac-22.0.6+dfsg/tests/keywords and 1247.4741 on output line 1042 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 94: WARNING: numerical heat mismatch between -85.0678 on reference line 81 in /build/mopac-22.0.6+dfsg/tests/keywords and -85.06811 on output line 81 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 94: WARNING: numerical mismatch between -355.92369 on reference line 81 in /build/mopac-22.0.6+dfsg/tests/keywords and -355.92497 on output line 81 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac - 84/118 Test #21: pdb_compare6 ..................... Passed 11.33 sec + 83/118 Test #92: key-OPEN ......................... Passed 1.36 sec test 99 Start 99: key-PM6-DHplus 99: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/keywords" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "PM6-DHplus.mop" 99: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/keywords 99: Test timeout computed to be: 10000000 - 85/118 Test #90: key-NOSYM ........................ Passed 1.29 sec + 84/118 Test #94: key-PM3 .......................... Passed 0.89 sec test 100 Start 100: key-PM6-DH2 100: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/keywords" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "PM6-DH2.mop" 100: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/keywords 100: Test timeout computed to be: 10000000 - 86/118 Test #94: key-PM3 .......................... Passed 1.01 sec -test 101 - Start 101: key-PM6-DH2X - -101: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/keywords" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "PM6-DH2X.mop" -101: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/keywords -101: Test timeout computed to be: 10000000 +95: +95: +95: MOPAC Job: "PM6.mop" ended normally on Jul 5, 2024, at 01:48. +95: +95: WARNING: numerical heat mismatch between -84.81192 on reference line 82 in /build/mopac-22.0.6+dfsg/tests/keywords and -84.81223 on output line 82 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +95: WARNING: numerical mismatch between -354.85309 on reference line 82 in /build/mopac-22.0.6+dfsg/tests/keywords and -354.85436 on output line 82 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 96: 96: -96: MOPAC Job: "PM6-D3.mop" ended normally on Jun 1, 2023, at 17:21. +96: MOPAC Job: "PM6-D3.mop" ended normally on Jul 5, 2024, at 01:48. 96: +96: WARNING: numerical heat mismatch between -84.88111 on reference line 82 in /build/mopac-22.0.6+dfsg/tests/keywords and -84.88142 on output line 82 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +96: WARNING: numerical mismatch between -355.14258 on reference line 82 in /build/mopac-22.0.6+dfsg/tests/keywords and -355.14385 on output line 82 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 97: 97: -97: MOPAC Job: "PM6-D3H4.mop" ended normally on Jun 1, 2023, at 17:21. +97: MOPAC Job: "PM6-D3H4.mop" ended normally on Jul 5, 2024, at 01:48. 97: -95: -95: -95: MOPAC Job: "PM6.mop" ended normally on Jun 1, 2023, at 17:21. -95: -96: WARNING: numerical heat mismatch between -84.88111 on reference line 82 in /build/mopac-22.0.6+dfsg/tests/keywords and -84.88142 on output line 82 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -96: WARNING: numerical mismatch between -355.14258 on reference line 82 in /build/mopac-22.0.6+dfsg/tests/keywords and -355.14385 on output line 82 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 97: WARNING: numerical heat mismatch between -84.81306 on reference line 82 in /build/mopac-22.0.6+dfsg/tests/keywords and -84.81336 on output line 82 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 97: WARNING: numerical mismatch between -354.85784 on reference line 82 in /build/mopac-22.0.6+dfsg/tests/keywords and -354.85911 on output line 82 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -95: WARNING: numerical heat mismatch between -84.81192 on reference line 82 in /build/mopac-22.0.6+dfsg/tests/keywords and -84.81223 on output line 82 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -95: WARNING: numerical mismatch between -354.85309 on reference line 82 in /build/mopac-22.0.6+dfsg/tests/keywords and -354.85436 on output line 82 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac + 85/118 Test #95: key-PM6 .......................... Passed 0.91 sec +test 101 + Start 101: key-PM6-DH2X + +101: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/keywords" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "PM6-DH2X.mop" +101: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/keywords +101: Test timeout computed to be: 10000000 98: 98: -98: MOPAC Job: "PM6-D3H4X.mop" ended normally on Jun 1, 2023, at 17:21. +98: MOPAC Job: "PM6-D3H4X.mop" ended normally on Jul 5, 2024, at 01:48. 98: -98: WARNING: numerical heat mismatch between -84.81306 on reference line 82 in /build/mopac-22.0.6+dfsg/tests/keywords and -84.81336 on output line 82 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -98: WARNING: numerical mismatch between -354.85784 on reference line 82 in /build/mopac-22.0.6+dfsg/tests/keywords and -354.85911 on output line 82 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac - 87/118 Test #97: key-PM6-D3H4 ..................... Passed 0.69 sec + 86/118 Test #97: key-PM6-D3H4 ..................... Passed 0.97 sec test 102 Start 102: key-PM7 102: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/keywords" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "PM7.mop" 102: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/keywords 102: Test timeout computed to be: 10000000 - 88/118 Test #96: key-PM6-D3 ....................... Passed 0.76 sec + 87/118 Test #96: key-PM6-D3 ....................... Passed 1.01 sec test 103 Start 103: key-PM7-TS 103: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/keywords" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "PM7-TS.mop" 103: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/keywords 103: Test timeout computed to be: 10000000 - 89/118 Test #95: key-PM6 .......................... Passed 1.00 sec +98: WARNING: numerical heat mismatch between -84.81306 on reference line 82 in /build/mopac-22.0.6+dfsg/tests/keywords and -84.81336 on output line 82 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +98: WARNING: numerical mismatch between -354.85784 on reference line 82 in /build/mopac-22.0.6+dfsg/tests/keywords and -354.85911 on output line 82 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +99: +99: +99: MOPAC Job: "PM6-DHplus.mop" ended normally on Jul 5, 2024, at 01:48. +99: +99: WARNING: numerical heat mismatch between -84.81729 on reference line 87 in /build/mopac-22.0.6+dfsg/tests/keywords and -84.8176 on output line 87 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +99: WARNING: numerical mismatch between -354.87556 on reference line 87 in /build/mopac-22.0.6+dfsg/tests/keywords and -354.87683 on output line 87 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +100: +100: +100: MOPAC Job: "PM6-DH2.mop" ended normally on Jul 5, 2024, at 01:48. +100: +100: WARNING: numerical heat mismatch between -84.81729 on reference line 82 in /build/mopac-22.0.6+dfsg/tests/keywords and -84.8176 on output line 82 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +100: WARNING: numerical mismatch between -354.87556 on reference line 82 in /build/mopac-22.0.6+dfsg/tests/keywords and -354.87683 on output line 82 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +52: +52: +52: MOPAC Job: "poly_c8.mop" ended normally on Jul 5, 2024, at 01:48. +52: + 88/118 Test #98: key-PM6-D3H4X .................... Passed 0.96 sec test 104 Start 104: key-QUARTET 104: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/keywords" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "QUARTET.mop" 104: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/keywords 104: Test timeout computed to be: 10000000 -101: -101: -101: MOPAC Job: "PM6-DH2X.mop" ended normally on Jun 1, 2023, at 17:21. -101: - 90/118 Test #98: key-PM6-D3H4X .................... Passed 0.77 sec + 89/118 Test #99: key-PM6-DHplus ................... Passed 0.91 sec test 105 Start 105: key-QUINTET 105: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/keywords" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "QUINTET.mop" 105: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/keywords 105: Test timeout computed to be: 10000000 -101: WARNING: numerical heat mismatch between -84.81729 on reference line 82 in /build/mopac-22.0.6+dfsg/tests/keywords and -84.8176 on output line 82 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -101: WARNING: numerical mismatch between -354.87556 on reference line 82 in /build/mopac-22.0.6+dfsg/tests/keywords and -354.87683 on output line 82 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -99: -99: -99: MOPAC Job: "PM6-DHplus.mop" ended normally on Jun 1, 2023, at 17:21. -99: -99: WARNING: numerical heat mismatch between -84.81729 on reference line 87 in /build/mopac-22.0.6+dfsg/tests/keywords and -84.8176 on output line 87 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -99: WARNING: numerical mismatch between -354.87556 on reference line 87 in /build/mopac-22.0.6+dfsg/tests/keywords and -354.87683 on output line 87 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac - 91/118 Test #101: key-PM6-DH2X ..................... Passed 0.67 sec + 90/118 Test #100: key-PM6-DH2 ...................... Passed 0.99 sec test 106 Start 106: key-RHF 106: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/keywords" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "RHF.mop" 106: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/keywords 106: Test timeout computed to be: 10000000 - 92/118 Test #99: key-PM6-DHplus ................... Passed 0.90 sec +101: +101: +101: MOPAC Job: "PM6-DH2X.mop" ended normally on Jul 5, 2024, at 01:48. +101: + 91/118 Test #52: poly_c8 .......................... Passed 12.20 sec test 107 Start 107: key-RM1 107: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/keywords" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "RM1.mop" 107: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/keywords 107: Test timeout computed to be: 10000000 -100: -100: -100: MOPAC Job: "PM6-DH2.mop" ended normally on Jun 1, 2023, at 17:21. -100: -100: WARNING: numerical heat mismatch between -84.81729 on reference line 82 in /build/mopac-22.0.6+dfsg/tests/keywords and -84.8176 on output line 82 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -100: WARNING: numerical mismatch between -354.87556 on reference line 82 in /build/mopac-22.0.6+dfsg/tests/keywords and -354.87683 on output line 82 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -102: -102: -102: MOPAC Job: "PM7.mop" ended normally on Jun 1, 2023, at 17:21. -102: -30: -30: -30: MOPAC Job: "ag20_cis_active.mop" ended normally on Jun 1, 2023, at 17:21. -30: -102: WARNING: numerical heat mismatch between -84.51541 on reference line 82 in /build/mopac-22.0.6+dfsg/tests/keywords and -84.51572 on output line 82 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -102: WARNING: numerical mismatch between -353.61248 on reference line 82 in /build/mopac-22.0.6+dfsg/tests/keywords and -353.61376 on output line 82 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 103: 103: -103: MOPAC Job: "PM7-TS.mop" ended normally on Jun 1, 2023, at 17:21. +103: MOPAC Job: "PM7-TS.mop" ended normally on Jul 5, 2024, at 01:48. 103: +101: WARNING: numerical heat mismatch between -84.81729 on reference line 82 in /build/mopac-22.0.6+dfsg/tests/keywords and -84.8176 on output line 82 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +101: WARNING: numerical mismatch between -354.87556 on reference line 82 in /build/mopac-22.0.6+dfsg/tests/keywords and -354.87683 on output line 82 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 103: WARNING: numerical heat mismatch between -40.84667 on reference line 70 in /build/mopac-22.0.6+dfsg/tests/keywords and -40.84694 on output line 70 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 103: WARNING: numerical mismatch between -170.90245 on reference line 70 in /build/mopac-22.0.6+dfsg/tests/keywords and -170.90361 on output line 70 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac - 93/118 Test #100: key-PM6-DH2 ...................... Passed 1.16 sec + 92/118 Test #103: key-PM7-TS ....................... Passed 0.71 sec test 108 Start 108: key-ROOT 108: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/keywords" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "ROOT.mop" 108: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/keywords 108: Test timeout computed to be: 10000000 - 94/118 Test #102: key-PM7 .......................... Passed 0.72 sec + 93/118 Test #101: key-PM6-DH2X ..................... Passed 0.90 sec test 109 Start 109: key-SEPTET 109: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/keywords" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "SEPTET.mop" 109: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/keywords 109: Test timeout computed to be: 10000000 - 95/118 Test #103: key-PM7-TS ....................... Passed 0.81 sec +102: +102: +102: MOPAC Job: "PM7.mop" ended normally on Jul 5, 2024, at 01:48. +102: +102: WARNING: numerical heat mismatch between -84.51541 on reference line 82 in /build/mopac-22.0.6+dfsg/tests/keywords and -84.51572 on output line 82 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +102: WARNING: numerical mismatch between -353.61248 on reference line 82 in /build/mopac-22.0.6+dfsg/tests/keywords and -353.61376 on output line 82 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +104: +104: +104: MOPAC Job: "QUARTET.mop" ended normally on Jul 5, 2024, at 01:48. +104: + 94/118 Test #102: key-PM7 .......................... Passed 0.99 sec test 110 Start 110: key-SEXTET 110: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/keywords" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "SEXTET.mop" 110: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/keywords 110: Test timeout computed to be: 10000000 +104: WARNING: numerical heat mismatch between 126.90707 on reference line 73 in /build/mopac-22.0.6+dfsg/tests/keywords and 126.90725 on output line 73 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +104: WARNING: numerical mismatch between 530.97919 on reference line 73 in /build/mopac-22.0.6+dfsg/tests/keywords and 530.97994 on output line 73 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +104: WARNING: numerical heat mismatch between 126.90707 on reference line 222 in /build/mopac-22.0.6+dfsg/tests/keywords and 126.90725 on output line 222 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +104: WARNING: numerical mismatch between 530.97919 on reference line 222 in /build/mopac-22.0.6+dfsg/tests/keywords and 530.97994 on output line 222 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +104: WARNING: numerical heat mismatch between 125.20262 on reference line 374 in /build/mopac-22.0.6+dfsg/tests/keywords and 125.20272 on output line 374 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +104: WARNING: numerical mismatch between 523.84776 on reference line 374 in /build/mopac-22.0.6+dfsg/tests/keywords and 523.84819 on output line 374 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +104: WARNING: numerical heat mismatch between 125.20262 on reference line 535 in /build/mopac-22.0.6+dfsg/tests/keywords and 125.20272 on output line 535 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +104: WARNING: numerical mismatch between 523.84776 on reference line 535 in /build/mopac-22.0.6+dfsg/tests/keywords and 523.84819 on output line 535 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 105: 105: -105: MOPAC Job: "QUINTET.mop" ended normally on Jun 1, 2023, at 17:21. +105: MOPAC Job: "QUINTET.mop" ended normally on Jul 5, 2024, at 01:48. 105: 107: 107: -107: MOPAC Job: "RM1.mop" ended normally on Jun 1, 2023, at 17:21. +107: MOPAC Job: "RM1.mop" ended normally on Jul 5, 2024, at 01:48. 107: -104: -104: -104: MOPAC Job: "QUARTET.mop" ended normally on Jun 1, 2023, at 17:21. -104: +107: WARNING: numerical heat mismatch between -81.55398 on reference line 80 in /build/mopac-22.0.6+dfsg/tests/keywords and -81.55429 on output line 80 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +107: WARNING: numerical mismatch between -341.22185 on reference line 80 in /build/mopac-22.0.6+dfsg/tests/keywords and -341.22315 on output line 80 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 106: 106: -106: MOPAC Job: "RHF.mop" ended normally on Jun 1, 2023, at 17:21. +106: MOPAC Job: "RHF.mop" ended normally on Jul 5, 2024, at 01:48. 106: + 95/118 Test #104: key-QUARTET ...................... Passed 1.01 sec +test 111 + Start 111: key-SINGLET + +111: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/keywords" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "SINGLET.mop" +111: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/keywords +111: Test timeout computed to be: 10000000 105: WARNING: numerical heat mismatch between 704.89987 on reference line 73 in /build/mopac-22.0.6+dfsg/tests/keywords and 704.90046 on output line 73 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 105: WARNING: numerical mismatch between 2949.30106 on reference line 73 in /build/mopac-22.0.6+dfsg/tests/keywords and 2949.30352 on output line 73 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 105: WARNING: numerical heat mismatch between 704.89987 on reference line 222 in /build/mopac-22.0.6+dfsg/tests/keywords and 704.90046 on output line 222 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac @@ -3227,85 +3317,42 @@ 105: WARNING: numerical mismatch between 2963.76706 on reference line 374 in /build/mopac-22.0.6+dfsg/tests/keywords and 2963.76957 on output line 374 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 105: WARNING: numerical heat mismatch between 708.35733 on reference line 535 in /build/mopac-22.0.6+dfsg/tests/keywords and 708.35793 on output line 535 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 105: WARNING: numerical mismatch between 2963.76706 on reference line 535 in /build/mopac-22.0.6+dfsg/tests/keywords and 2963.76957 on output line 535 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -107: WARNING: numerical heat mismatch between -81.55398 on reference line 80 in /build/mopac-22.0.6+dfsg/tests/keywords and -81.55429 on output line 80 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -107: WARNING: numerical mismatch between -341.22185 on reference line 80 in /build/mopac-22.0.6+dfsg/tests/keywords and -341.22315 on output line 80 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac - 96/118 Test #30: ag20_cis_active .................. Passed 17.86 sec -test 111 - Start 111: key-SINGLET - -111: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/keywords" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "SINGLET.mop" -111: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/keywords -111: Test timeout computed to be: 10000000 - 97/118 Test #105: key-QUINTET ...................... Passed 0.89 sec +106: WARNING: numerical heat mismatch between -61.93555 on reference line 80 in /build/mopac-22.0.6+dfsg/tests/keywords and -61.93566 on output line 80 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +106: WARNING: numerical mismatch between -259.13834 on reference line 80 in /build/mopac-22.0.6+dfsg/tests/keywords and -259.1388 on output line 80 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +106: WARNING: numerical mismatch between 32.92723 on reference line 230 in /build/mopac-22.0.6+dfsg/tests/keywords and 32.92687 on output line 230 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac + 96/118 Test #107: key-RM1 .......................... Passed 0.84 sec test 112 Start 112: key-SNAP 112: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/keywords" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "SNAP.mop" 112: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/keywords 112: Test timeout computed to be: 10000000 -106: WARNING: numerical heat mismatch between -61.93555 on reference line 80 in /build/mopac-22.0.6+dfsg/tests/keywords and -61.93566 on output line 80 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -106: WARNING: numerical mismatch between -259.13834 on reference line 80 in /build/mopac-22.0.6+dfsg/tests/keywords and -259.1388 on output line 80 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -106: WARNING: numerical mismatch between 32.92723 on reference line 230 in /build/mopac-22.0.6+dfsg/tests/keywords and 32.92687 on output line 230 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac - 98/118 Test #107: key-RM1 .......................... Passed 0.68 sec + 97/118 Test #106: key-RHF .......................... Passed 1.04 sec test 113 Start 113: key-SYMMETRY 113: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/keywords" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "SYMMETRY.mop" 113: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/keywords 113: Test timeout computed to be: 10000000 -104: WARNING: numerical heat mismatch between 126.90707 on reference line 73 in /build/mopac-22.0.6+dfsg/tests/keywords and 126.90725 on output line 73 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -104: WARNING: numerical mismatch between 530.97919 on reference line 73 in /build/mopac-22.0.6+dfsg/tests/keywords and 530.97994 on output line 73 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -104: WARNING: numerical heat mismatch between 126.90707 on reference line 222 in /build/mopac-22.0.6+dfsg/tests/keywords and 126.90725 on output line 222 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -104: WARNING: numerical mismatch between 530.97919 on reference line 222 in /build/mopac-22.0.6+dfsg/tests/keywords and 530.97994 on output line 222 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -104: WARNING: numerical heat mismatch between 125.20262 on reference line 374 in /build/mopac-22.0.6+dfsg/tests/keywords and 125.20272 on output line 374 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -104: WARNING: numerical mismatch between 523.84776 on reference line 374 in /build/mopac-22.0.6+dfsg/tests/keywords and 523.84819 on output line 374 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -104: WARNING: numerical heat mismatch between 125.20262 on reference line 535 in /build/mopac-22.0.6+dfsg/tests/keywords and 125.20272 on output line 535 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -104: WARNING: numerical mismatch between 523.84776 on reference line 535 in /build/mopac-22.0.6+dfsg/tests/keywords and 523.84819 on output line 535 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac - 99/118 Test #106: key-RHF .......................... Passed 0.92 sec + 98/118 Test #105: key-QUINTET ...................... Passed 1.24 sec test 114 Start 114: key-TDIP 114: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/keywords" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "TDIP.mop" 114: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/keywords 114: Test timeout computed to be: 10000000 -100/118 Test #104: key-QUARTET ...................... Passed 1.15 sec -test 115 - Start 115: key-TRIPLET - -115: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/keywords" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "TRIPLET.mop" -115: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/keywords -115: Test timeout computed to be: 10000000 -112: -112: -112: MOPAC Job: "SNAP.mop" ended normally on Jun 1, 2023, at 17:21. -112: +109: +109: +109: MOPAC Job: "SEPTET.mop" ended normally on Jul 5, 2024, at 01:48. +109: 111: 111: -111: MOPAC Job: "SINGLET.mop" ended normally on Jun 1, 2023, at 17:21. +111: MOPAC Job: "SINGLET.mop" ended normally on Jul 5, 2024, at 01:48. 111: 110: 110: -110: MOPAC Job: "SEXTET.mop" ended normally on Jun 1, 2023, at 17:21. +110: MOPAC Job: "SEXTET.mop" ended normally on Jul 5, 2024, at 01:48. 110: -112: WARNING: numerical heat mismatch between -14.37282 on reference line 75 in /build/mopac-22.0.6+dfsg/tests/keywords and -14.37315 on output line 75 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -112: WARNING: numerical mismatch between -60.13588 on reference line 75 in /build/mopac-22.0.6+dfsg/tests/keywords and -60.13724 on output line 75 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -112: WARNING: numerical heat mismatch between -14.37287 on reference line 227 in /build/mopac-22.0.6+dfsg/tests/keywords and -14.3732 on output line 227 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -112: WARNING: numerical mismatch between -60.13611 on reference line 227 in /build/mopac-22.0.6+dfsg/tests/keywords and -60.13747 on output line 227 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -112: WARNING: numerical heat mismatch between -14.37287 on reference line 378 in /build/mopac-22.0.6+dfsg/tests/keywords and -14.3732 on output line 378 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -112: WARNING: numerical mismatch between -60.13611 on reference line 378 in /build/mopac-22.0.6+dfsg/tests/keywords and -60.13747 on output line 378 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -109: -109: -109: MOPAC Job: "SEPTET.mop" ended normally on Jun 1, 2023, at 17:21. -109: -111: WARNING: numerical mismatch between -35.54835 on reference line 85 in /build/mopac-22.0.6+dfsg/tests/keywords and -35.54877 on output line 85 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -111: WARNING: numerical mismatch between 59.76507 on reference line 273 in /build/mopac-22.0.6+dfsg/tests/keywords and 59.76473 on output line 273 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -101/118 Test #112: key-SNAP ......................... Passed 0.74 sec -test 116 - Start 116: key-UHF - -116: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/keywords" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "UHF.mop" -116: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/keywords -116: Test timeout computed to be: 10000000 109: WARNING: numerical heat mismatch between 1293.36484 on reference line 73 in /build/mopac-22.0.6+dfsg/tests/keywords and 1293.3659 on output line 73 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 109: WARNING: numerical mismatch between 5411.43848 on reference line 73 in /build/mopac-22.0.6+dfsg/tests/keywords and 5411.44291 on output line 73 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 109: WARNING: numerical heat mismatch between 1293.36484 on reference line 222 in /build/mopac-22.0.6+dfsg/tests/keywords and 1293.3659 on output line 222 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac @@ -3314,6 +3361,12 @@ 109: WARNING: numerical mismatch between 5431.4379 on reference line 374 in /build/mopac-22.0.6+dfsg/tests/keywords and 5431.44236 on output line 374 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 109: WARNING: numerical heat mismatch between 1298.14481 on reference line 535 in /build/mopac-22.0.6+dfsg/tests/keywords and 1298.14588 on output line 535 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 109: WARNING: numerical mismatch between 5431.4379 on reference line 535 in /build/mopac-22.0.6+dfsg/tests/keywords and 5431.44236 on output line 535 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +111: WARNING: numerical mismatch between -35.54835 on reference line 85 in /build/mopac-22.0.6+dfsg/tests/keywords and -35.54877 on output line 85 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +111: WARNING: numerical mismatch between 59.76507 on reference line 273 in /build/mopac-22.0.6+dfsg/tests/keywords and 59.76473 on output line 273 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +112: +112: +112: MOPAC Job: "SNAP.mop" ended normally on Jul 5, 2024, at 01:48. +112: 110: WARNING: numerical heat mismatch between 1352.10281 on reference line 73 in /build/mopac-22.0.6+dfsg/tests/keywords and 1352.10392 on output line 73 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 110: WARNING: numerical mismatch between 5657.19815 on reference line 73 in /build/mopac-22.0.6+dfsg/tests/keywords and 5657.2028 on output line 73 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 110: WARNING: numerical heat mismatch between 1352.10281 on reference line 222 in /build/mopac-22.0.6+dfsg/tests/keywords and 1352.10392 on output line 222 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac @@ -3322,34 +3375,34 @@ 110: WARNING: numerical mismatch between 5657.55001 on reference line 374 in /build/mopac-22.0.6+dfsg/tests/keywords and 5657.55466 on output line 374 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 110: WARNING: numerical heat mismatch between 1352.1869 on reference line 535 in /build/mopac-22.0.6+dfsg/tests/keywords and 1352.18802 on output line 535 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 110: WARNING: numerical mismatch between 5657.55001 on reference line 535 in /build/mopac-22.0.6+dfsg/tests/keywords and 5657.55466 on output line 535 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -114: -114: -114: MOPAC Job: "TDIP.mop" ended normally on Jun 1, 2023, at 17:21. -114: -102/118 Test #111: key-SINGLET ...................... Passed 0.94 sec -test 117 - Start 117: key-WRTCI + 99/118 Test #111: key-SINGLET ...................... Passed 0.85 sec +test 115 + Start 115: key-TRIPLET -117: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/keywords" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "WRTCI.mop" -117: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/keywords -117: Test timeout computed to be: 10000000 -103/118 Test #109: key-SEPTET ....................... Passed 1.17 sec -test 118 - Start 118: key-WRTCONF +115: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/keywords" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "TRIPLET.mop" +115: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/keywords +115: Test timeout computed to be: 10000000 +100/118 Test #109: key-SEPTET ....................... Passed 1.32 sec +test 116 + Start 116: key-UHF -118: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/keywords" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "WRTCONF.mop" -118: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/keywords -118: Test timeout computed to be: 10000000 -104/118 Test #114: key-TDIP ......................... Passed 0.77 sec -105/118 Test #110: key-SEXTET ....................... Passed 1.13 sec +116: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/keywords" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "UHF.mop" +116: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/keywords +116: Test timeout computed to be: 10000000 113: 113: -113: MOPAC Job: "SYMMETRY.mop" ended normally on Jun 1, 2023, at 17:21. +113: MOPAC Job: "SYMMETRY.mop" ended normally on Jul 5, 2024, at 01:48. 113: -115: -115: -115: MOPAC Job: "TRIPLET.mop" ended normally on Jun 1, 2023, at 17:21. -115: +112: WARNING: numerical heat mismatch between -14.37282 on reference line 75 in /build/mopac-22.0.6+dfsg/tests/keywords and -14.37315 on output line 75 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +112: WARNING: numerical mismatch between -60.13588 on reference line 75 in /build/mopac-22.0.6+dfsg/tests/keywords and -60.13724 on output line 75 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +112: WARNING: numerical heat mismatch between -14.37287 on reference line 227 in /build/mopac-22.0.6+dfsg/tests/keywords and -14.3732 on output line 227 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +112: WARNING: numerical mismatch between -60.13611 on reference line 227 in /build/mopac-22.0.6+dfsg/tests/keywords and -60.13747 on output line 227 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +112: WARNING: numerical heat mismatch between -14.37287 on reference line 378 in /build/mopac-22.0.6+dfsg/tests/keywords and -14.3732 on output line 378 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +112: WARNING: numerical mismatch between -60.13611 on reference line 378 in /build/mopac-22.0.6+dfsg/tests/keywords and -60.13747 on output line 378 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +114: +114: +114: MOPAC Job: "TDIP.mop" ended normally on Jul 5, 2024, at 01:48. +114: 113: WARNING: numerical heat mismatch between 16.84931 on reference line 98 in /build/mopac-22.0.6+dfsg/tests/keywords and 16.84886 on output line 98 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 113: WARNING: numerical mismatch between 70.49749 on reference line 98 in /build/mopac-22.0.6+dfsg/tests/keywords and 70.49565 on output line 98 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 113: WARNING: numerical heat mismatch between 13.85544 on reference line 293 in /build/mopac-22.0.6+dfsg/tests/keywords and 13.855 on output line 293 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac @@ -3360,10 +3413,34 @@ 113: WARNING: numerical mismatch between 280.41882 on reference line 637 in /build/mopac-22.0.6+dfsg/tests/keywords and 280.41805 on output line 637 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 113: WARNING: numerical heat mismatch between 66.85441 on reference line 805 in /build/mopac-22.0.6+dfsg/tests/keywords and 66.85422 on output line 805 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 113: WARNING: numerical mismatch between 279.71884 on reference line 805 in /build/mopac-22.0.6+dfsg/tests/keywords and 279.71807 on output line 805 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +101/118 Test #110: key-SEXTET ....................... Passed 1.34 sec +test 117 + Start 117: key-WRTCI + +117: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/keywords" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "WRTCI.mop" +117: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/keywords +117: Test timeout computed to be: 10000000 +102/118 Test #112: key-SNAP ......................... Passed 0.92 sec +test 118 + Start 118: key-WRTCONF + +118: Test command: /usr/bin/python3 "/build/mopac-22.0.6+dfsg/tests/run_test.py" "/build/mopac-22.0.6+dfsg/tests/keywords" "/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac" "WRTCONF.mop" +118: Working Directory: /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/tests/keywords +118: Test timeout computed to be: 10000000 +103/118 Test #114: key-TDIP ......................... Passed 0.84 sec +104/118 Test #113: key-SYMMETRY ..................... Passed 0.96 sec 116: 116: -116: MOPAC Job: "UHF.mop" ended normally on Jun 1, 2023, at 17:21. +116: MOPAC Job: "UHF.mop" ended normally on Jul 5, 2024, at 01:49. 116: +116: WARNING: numerical heat mismatch between -61.93555 on reference line 80 in /build/mopac-22.0.6+dfsg/tests/keywords and -61.93566 on output line 80 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +116: WARNING: numerical mismatch between -259.13836 on reference line 80 in /build/mopac-22.0.6+dfsg/tests/keywords and -259.13882 on output line 80 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +116: WARNING: numerical mismatch between 30.36323 on reference line 244 in /build/mopac-22.0.6+dfsg/tests/keywords and 30.36287 on output line 244 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +115: +115: +115: MOPAC Job: "TRIPLET.mop" ended normally on Jul 5, 2024, at 01:49. +115: +105/118 Test #116: key-UHF .......................... Passed 0.73 sec 115: WARNING: numerical heat mismatch between 93.14412 on reference line 73 in /build/mopac-22.0.6+dfsg/tests/keywords and 93.14423 on output line 73 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 115: WARNING: numerical mismatch between 389.71498 on reference line 73 in /build/mopac-22.0.6+dfsg/tests/keywords and 389.71545 on output line 73 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 115: WARNING: numerical heat mismatch between 93.14412 on reference line 222 in /build/mopac-22.0.6+dfsg/tests/keywords and 93.14423 on output line 222 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac @@ -3372,429 +3449,261 @@ 115: WARNING: numerical mismatch between 393.55788 on reference line 374 in /build/mopac-22.0.6+dfsg/tests/keywords and 393.55834 on output line 374 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 115: WARNING: numerical heat mismatch between 94.06259 on reference line 535 in /build/mopac-22.0.6+dfsg/tests/keywords and 94.0627 on output line 535 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 115: WARNING: numerical mismatch between 393.55788 on reference line 535 in /build/mopac-22.0.6+dfsg/tests/keywords and 393.55834 on output line 535 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -116: WARNING: numerical heat mismatch between -61.93555 on reference line 80 in /build/mopac-22.0.6+dfsg/tests/keywords and -61.93566 on output line 80 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -116: WARNING: numerical mismatch between -259.13836 on reference line 80 in /build/mopac-22.0.6+dfsg/tests/keywords and -259.13882 on output line 80 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -116: WARNING: numerical mismatch between 30.36323 on reference line 244 in /build/mopac-22.0.6+dfsg/tests/keywords and 30.36287 on output line 244 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -106/118 Test #113: key-SYMMETRY ..................... Passed 1.23 sec -107/118 Test #116: key-UHF .......................... Passed 0.57 sec -108/118 Test #115: key-TRIPLET ...................... Passed 1.12 sec -117: -117: -117: MOPAC Job: "WRTCI.mop" ended normally on Jun 1, 2023, at 17:21. -117: 118: 118: -118: MOPAC Job: "WRTCONF.mop" ended normally on Jun 1, 2023, at 17:21. +118: MOPAC Job: "WRTCONF.mop" ended normally on Jul 5, 2024, at 01:49. 118: -109/118 Test #118: key-WRTCONF ...................... Passed 0.83 sec -110/118 Test #117: key-WRTCI ........................ Passed 0.86 sec -28: -28: -28: MOPAC Job: "erratic2.mop" ended normally on Jun 1, 2023, at 17:21. -28: -111/118 Test #28: erratic-2 ........................ Passed 23.72 sec +117: +117: +117: MOPAC Job: "WRTCI.mop" ended normally on Jul 5, 2024, at 01:49. +117: +21: +21: +21: MOPAC Job: "Compare_PDB_Bacteriorhodopsin_1AP9_and_1AT9.mop" ended normally on Jul 5, 2024, at 01:49. +21: +106/118 Test #115: key-TRIPLET ...................... Passed 0.97 sec +107/118 Test #118: key-WRTCONF ...................... Passed 0.80 sec +108/118 Test #117: key-WRTCI ........................ Passed 0.84 sec +30: +30: +30: MOPAC Job: "ag20_cis_active.mop" ended normally on Jul 5, 2024, at 01:49. +30: +109/118 Test #21: pdb_compare6 ..................... Passed 14.24 sec +110/118 Test #30: ag20_cis_active .................. Passed 19.38 sec 75: 75: -75: MOPAC Job: "CISDT.mop" ended normally on Jun 1, 2023, at 17:21. +75: MOPAC Job: "CISDT.mop" ended normally on Jul 5, 2024, at 01:49. 75: -27: -27: -27: MOPAC Job: "erratic1.mop" ended normally on Jun 1, 2023, at 17:21. -27: -27: WARNING: numerical heat mismatch between -167.67849 on reference line 394 in /build/mopac-22.0.6+dfsg/tests and -167.66387 on output line 349 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -701.56682 on reference line 394 in /build/mopac-22.0.6+dfsg/tests and -701.50565 on output line 349 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -62312.35849 on reference line 396 in /build/mopac-22.0.6+dfsg/tests and -62312.34871 on output line 351 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -160.7693 on reference line 398 in /build/mopac-22.0.6+dfsg/tests and -160.75952 on output line 353 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -5.57843 on reference line 399 in /build/mopac-22.0.6+dfsg/tests and -5.57884 on output line 354 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.33076 on reference line 400 in /build/mopac-22.0.6+dfsg/tests and -1.32551 on output line 355 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -167.67849 on reference line 401 in /build/mopac-22.0.6+dfsg/tests and -167.66387 on output line 356 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -2702.11961 on reference line 406 in /build/mopac-22.0.6+dfsg/tests and -2702.11919 on output line 361 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -16548.01905 on reference line 407 in /build/mopac-22.0.6+dfsg/tests and -16550.04373 on output line 362 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 13845.89944 on reference line 408 in /build/mopac-22.0.6+dfsg/tests and 13847.92454 on output line 363 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 230.29 on reference line 409 in /build/mopac-22.0.6+dfsg/tests and 230.07 on output line 364 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 254.73 on reference line 410 in /build/mopac-22.0.6+dfsg/tests and 254.45 on output line 365 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 8.208764 on reference line 413 in /build/mopac-22.0.6+dfsg/tests and 8.208091 on output line 368 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -8.209 on reference line 414 in /build/mopac-22.0.6+dfsg/tests and -8.208 on output line 369 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.876 on reference line 414 in /build/mopac-22.0.6+dfsg/tests and 0.877 on output line 369 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -2.60376657 on reference line 437 in /build/mopac-22.0.6+dfsg/tests and -2.59896162 on output line 392 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -2.77277753 on reference line 437 in /build/mopac-22.0.6+dfsg/tests and -2.77598991 on output line 392 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.41133099 on reference line 437 in /build/mopac-22.0.6+dfsg/tests and -0.41356823 on output line 392 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.87297197 on reference line 438 in /build/mopac-22.0.6+dfsg/tests and -1.87640394 on output line 393 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.57879337 on reference line 438 in /build/mopac-22.0.6+dfsg/tests and -1.57723077 on output line 393 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.11520018 on reference line 438 in /build/mopac-22.0.6+dfsg/tests and 0.11370751 on output line 393 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.57074046 on reference line 439 in /build/mopac-22.0.6+dfsg/tests and -1.57024762 on output line 394 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.40249731 on reference line 439 in /build/mopac-22.0.6+dfsg/tests and -1.40365891 on output line 394 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.27808517 on reference line 439 in /build/mopac-22.0.6+dfsg/tests and 1.27603136 on output line 394 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.59229687 on reference line 440 in /build/mopac-22.0.6+dfsg/tests and -1.60374116 on output line 395 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.71978955 on reference line 440 in /build/mopac-22.0.6+dfsg/tests and -0.71392224 on output line 395 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.85819468 on reference line 440 in /build/mopac-22.0.6+dfsg/tests and -0.85793582 on output line 395 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.89284881 on reference line 441 in /build/mopac-22.0.6+dfsg/tests and -0.89706184 on output line 396 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.54395921 on reference line 441 in /build/mopac-22.0.6+dfsg/tests and 0.54599274 on output line 396 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.52256817 on reference line 441 in /build/mopac-22.0.6+dfsg/tests and -0.52324795 on output line 396 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.40311806 on reference line 442 in /build/mopac-22.0.6+dfsg/tests and -1.40013066 on output line 397 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.43237831 on reference line 442 in /build/mopac-22.0.6+dfsg/tests and 1.4346423 on output line 397 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.67660638 on reference line 442 in /build/mopac-22.0.6+dfsg/tests and -1.68044133 on output line 397 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.0187886 on reference line 443 in /build/mopac-22.0.6+dfsg/tests and -1.00566825 on output line 398 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.49171382 on reference line 443 in /build/mopac-22.0.6+dfsg/tests and -1.49979489 on output line 398 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.25750982 on reference line 444 in /build/mopac-22.0.6+dfsg/tests and 0.27348332 on output line 399 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 3.12226931 on reference line 444 in /build/mopac-22.0.6+dfsg/tests and 3.11436124 on output line 399 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.12243648 on reference line 444 in /build/mopac-22.0.6+dfsg/tests and -1.13505631 on output line 399 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.75256122 on reference line 445 in /build/mopac-22.0.6+dfsg/tests and -1.73346999 on output line 400 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 3.81186879 on reference line 445 in /build/mopac-22.0.6+dfsg/tests and 3.8165806 on output line 400 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.67080063 on reference line 445 in /build/mopac-22.0.6+dfsg/tests and -1.67874001 on output line 400 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.54065551 on reference line 446 in /build/mopac-22.0.6+dfsg/tests and 0.53544445 on output line 401 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.35927977 on reference line 446 in /build/mopac-22.0.6+dfsg/tests and 0.35308987 on output line 401 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.54738855 on reference line 446 in /build/mopac-22.0.6+dfsg/tests and -0.54437991 on output line 401 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.34297342 on reference line 447 in /build/mopac-22.0.6+dfsg/tests and 1.33587551 on output line 402 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.61179722 on reference line 447 in /build/mopac-22.0.6+dfsg/tests and 0.61739549 on output line 402 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.57967568 on reference line 448 in /build/mopac-22.0.6+dfsg/tests and 1.57572835 on output line 403 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.37266093 on reference line 448 in /build/mopac-22.0.6+dfsg/tests and -1.37133637 on output line 403 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.80514567 on reference line 448 in /build/mopac-22.0.6+dfsg/tests and 0.81682586 on output line 403 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 2.69104184 on reference line 449 in /build/mopac-22.0.6+dfsg/tests and 2.68296431 on output line 404 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.76778008 on reference line 449 in /build/mopac-22.0.6+dfsg/tests and 0.7700574 on output line 404 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.41994662 on reference line 449 in /build/mopac-22.0.6+dfsg/tests and 0.4257004 on output line 404 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.74119998 on reference line 450 in /build/mopac-22.0.6+dfsg/tests and 0.73077236 on output line 405 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.65713067 on reference line 450 in /build/mopac-22.0.6+dfsg/tests and 0.66050781 on output line 405 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.87508764 on reference line 450 in /build/mopac-22.0.6+dfsg/tests and 1.87758603 on output line 405 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -2.51233194 on reference line 451 in /build/mopac-22.0.6+dfsg/tests and -2.81117804 on output line 406 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -2.8680436 on reference line 451 in /build/mopac-22.0.6+dfsg/tests and -2.69580583 on output line 406 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.50361508 on reference line 451 in /build/mopac-22.0.6+dfsg/tests and -1.49037624 on output line 406 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -2.22720325 on reference line 452 in /build/mopac-22.0.6+dfsg/tests and -2.00456099 on output line 407 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -3.69602238 on reference line 452 in /build/mopac-22.0.6+dfsg/tests and -3.68659616 on output line 407 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.05153608 on reference line 452 in /build/mopac-22.0.6+dfsg/tests and -0.25145718 on output line 407 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -3.67612724 on reference line 453 in /build/mopac-22.0.6+dfsg/tests and -3.55514809 on output line 408 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -2.69811877 on reference line 453 in /build/mopac-22.0.6+dfsg/tests and -2.90984152 on output line 408 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.17121587 on reference line 453 in /build/mopac-22.0.6+dfsg/tests and 0.11552368 on output line 408 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.32138167 on reference line 454 in /build/mopac-22.0.6+dfsg/tests and -1.32623294 on output line 409 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.87855753 on reference line 454 in /build/mopac-22.0.6+dfsg/tests and 0.88467182 on output line 409 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.44804695 on reference line 454 in /build/mopac-22.0.6+dfsg/tests and 0.44561484 on output line 409 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.00767196 on reference line 455 in /build/mopac-22.0.6+dfsg/tests and -1.00650934 on output line 410 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.0593478 on reference line 455 in /build/mopac-22.0.6+dfsg/tests and 1.05569412 on output line 410 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -2.64460947 on reference line 455 in /build/mopac-22.0.6+dfsg/tests and -2.64689231 on output line 410 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -2.50783735 on reference line 456 in /build/mopac-22.0.6+dfsg/tests and -2.50542622 on output line 411 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.34335533 on reference line 456 in /build/mopac-22.0.6+dfsg/tests and 1.35330833 on output line 411 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.76183399 on reference line 456 in /build/mopac-22.0.6+dfsg/tests and -1.76607228 on output line 411 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.98990523 on reference line 457 in /build/mopac-22.0.6+dfsg/tests and 0.98437465 on output line 412 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.09320588 on reference line 457 in /build/mopac-22.0.6+dfsg/tests and 0.07780314 on output line 412 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.48595904 on reference line 457 in /build/mopac-22.0.6+dfsg/tests and -1.48045361 on output line 412 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.78389428 on reference line 458 in /build/mopac-22.0.6+dfsg/tests and 0.79389966 on output line 413 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 2.28063197 on reference line 458 in /build/mopac-22.0.6+dfsg/tests and 2.26944681 on output line 413 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.92543555 on reference line 458 in /build/mopac-22.0.6+dfsg/tests and -0.93638321 on output line 413 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 2.26243142 on reference line 459 in /build/mopac-22.0.6+dfsg/tests and 2.25753872 on output line 414 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.57405645 on reference line 459 in /build/mopac-22.0.6+dfsg/tests and -1.56783381 on output line 414 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.63900388 on reference line 459 in /build/mopac-22.0.6+dfsg/tests and 1.65267646 on output line 414 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.61628787 on reference line 460 in /build/mopac-22.0.6+dfsg/tests and 0.61318439 on output line 415 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.01194191 on reference line 460 in /build/mopac-22.0.6+dfsg/tests and 1.02426726 on output line 415 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.98345201 on reference line 461 in /build/mopac-22.0.6+dfsg/tests and 1.98237795 on output line 416 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.81722855 on reference line 461 in /build/mopac-22.0.6+dfsg/tests and -1.81850041 on output line 416 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.11691103 on reference line 461 in /build/mopac-22.0.6+dfsg/tests and -0.10267257 on output line 416 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 3.35705612 on reference line 462 in /build/mopac-22.0.6+dfsg/tests and 3.34833467 on output line 417 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.57963866 on reference line 462 in /build/mopac-22.0.6+dfsg/tests and 0.58509882 on output line 417 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.27282456 on reference line 462 in /build/mopac-22.0.6+dfsg/tests and 1.27974746 on output line 417 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 3.17530424 on reference line 463 in /build/mopac-22.0.6+dfsg/tests and 3.16889655 on output line 418 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.39342111 on reference line 463 in /build/mopac-22.0.6+dfsg/tests and 0.39471133 on output line 418 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.49677775 on reference line 463 in /build/mopac-22.0.6+dfsg/tests and -0.48971362 on output line 418 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 2.56562024 on reference line 464 in /build/mopac-22.0.6+dfsg/tests and 2.55559551 on output line 419 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.85887675 on reference line 464 in /build/mopac-22.0.6+dfsg/tests and 1.86070736 on output line 419 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.30125496 on reference line 464 in /build/mopac-22.0.6+dfsg/tests and 0.30464276 on output line 419 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.50099036 on reference line 465 in /build/mopac-22.0.6+dfsg/tests and 0.49018231 on output line 420 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.72788957 on reference line 465 in /build/mopac-22.0.6+dfsg/tests and 1.73076849 on output line 420 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.75660617 on reference line 465 in /build/mopac-22.0.6+dfsg/tests and 1.75544379 on output line 420 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.20593632 on reference line 466 in /build/mopac-22.0.6+dfsg/tests and -0.21648421 on output line 421 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.12505278 on reference line 466 in /build/mopac-22.0.6+dfsg/tests and 0.12832795 on output line 421 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 2.1164497 on reference line 466 in /build/mopac-22.0.6+dfsg/tests and 2.11833091 on output line 421 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.41882384 on reference line 467 in /build/mopac-22.0.6+dfsg/tests and 1.40651427 on output line 422 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.53475177 on reference line 467 in /build/mopac-22.0.6+dfsg/tests and 0.54120692 on output line 422 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 2.73085401 on reference line 467 in /build/mopac-22.0.6+dfsg/tests and 2.73529212 on output line 422 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -2.603766572 on reference line 471 in /build/mopac-22.0.6+dfsg/tests and -2.598961619 on output line 426 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -2.77277753 on reference line 471 in /build/mopac-22.0.6+dfsg/tests and -2.775989906 on output line 426 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.41133099 on reference line 471 in /build/mopac-22.0.6+dfsg/tests and -0.413568226 on output line 426 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.872971974 on reference line 472 in /build/mopac-22.0.6+dfsg/tests and -1.876403943 on output line 427 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.578793369 on reference line 472 in /build/mopac-22.0.6+dfsg/tests and -1.577230766 on output line 427 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.115200176 on reference line 472 in /build/mopac-22.0.6+dfsg/tests and 0.113707508 on output line 427 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.570740457 on reference line 473 in /build/mopac-22.0.6+dfsg/tests and -1.570247616 on output line 428 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.402497306 on reference line 473 in /build/mopac-22.0.6+dfsg/tests and -1.403658914 on output line 428 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.27808517 on reference line 473 in /build/mopac-22.0.6+dfsg/tests and 1.276031363 on output line 428 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.592296872 on reference line 474 in /build/mopac-22.0.6+dfsg/tests and -1.603741164 on output line 429 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.719789551 on reference line 474 in /build/mopac-22.0.6+dfsg/tests and -0.713922244 on output line 429 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.858194681 on reference line 474 in /build/mopac-22.0.6+dfsg/tests and -0.857935818 on output line 429 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.89284881 on reference line 475 in /build/mopac-22.0.6+dfsg/tests and -0.897061838 on output line 430 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.543959211 on reference line 475 in /build/mopac-22.0.6+dfsg/tests and 0.545992743 on output line 430 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.522568169 on reference line 475 in /build/mopac-22.0.6+dfsg/tests and -0.52324795 on output line 430 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.403118059 on reference line 476 in /build/mopac-22.0.6+dfsg/tests and -1.400130658 on output line 431 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.432378309 on reference line 476 in /build/mopac-22.0.6+dfsg/tests and 1.434642301 on output line 431 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.676606385 on reference line 476 in /build/mopac-22.0.6+dfsg/tests and -1.680441328 on output line 431 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.018788602 on reference line 477 in /build/mopac-22.0.6+dfsg/tests and -1.005668255 on output line 432 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.491713817 on reference line 477 in /build/mopac-22.0.6+dfsg/tests and -1.499794894 on output line 432 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.257509816 on reference line 478 in /build/mopac-22.0.6+dfsg/tests and 0.273483325 on output line 433 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 3.122269309 on reference line 478 in /build/mopac-22.0.6+dfsg/tests and 3.114361239 on output line 433 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.122436478 on reference line 478 in /build/mopac-22.0.6+dfsg/tests and -1.135056314 on output line 433 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.752561221 on reference line 479 in /build/mopac-22.0.6+dfsg/tests and -1.733469992 on output line 434 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 3.811868789 on reference line 479 in /build/mopac-22.0.6+dfsg/tests and 3.816580599 on output line 434 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.67080063 on reference line 479 in /build/mopac-22.0.6+dfsg/tests and -1.678740011 on output line 434 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.540655505 on reference line 480 in /build/mopac-22.0.6+dfsg/tests and 0.535444451 on output line 435 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.359279769 on reference line 480 in /build/mopac-22.0.6+dfsg/tests and 0.353089873 on output line 435 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.547388554 on reference line 480 in /build/mopac-22.0.6+dfsg/tests and -0.544379914 on output line 435 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.342973416 on reference line 481 in /build/mopac-22.0.6+dfsg/tests and 1.335875507 on output line 436 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.611797223 on reference line 481 in /build/mopac-22.0.6+dfsg/tests and 0.617395487 on output line 436 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.579675682 on reference line 482 in /build/mopac-22.0.6+dfsg/tests and 1.575728353 on output line 437 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.37266093 on reference line 482 in /build/mopac-22.0.6+dfsg/tests and -1.371336366 on output line 437 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.805145673 on reference line 482 in /build/mopac-22.0.6+dfsg/tests and 0.816825863 on output line 437 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 2.691041843 on reference line 483 in /build/mopac-22.0.6+dfsg/tests and 2.682964307 on output line 438 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.767780081 on reference line 483 in /build/mopac-22.0.6+dfsg/tests and 0.770057404 on output line 438 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.41994662 on reference line 483 in /build/mopac-22.0.6+dfsg/tests and 0.425700401 on output line 438 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.741199979 on reference line 484 in /build/mopac-22.0.6+dfsg/tests and 0.73077236 on output line 439 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.657130669 on reference line 484 in /build/mopac-22.0.6+dfsg/tests and 0.660507811 on output line 439 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.875087639 on reference line 484 in /build/mopac-22.0.6+dfsg/tests and 1.877586028 on output line 439 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -2.512331939 on reference line 485 in /build/mopac-22.0.6+dfsg/tests and -2.81117804 on output line 440 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -2.868043604 on reference line 485 in /build/mopac-22.0.6+dfsg/tests and -2.69580583 on output line 440 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.503615084 on reference line 485 in /build/mopac-22.0.6+dfsg/tests and -1.490376242 on output line 440 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -2.227203252 on reference line 486 in /build/mopac-22.0.6+dfsg/tests and -2.004560991 on output line 441 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -3.696022377 on reference line 486 in /build/mopac-22.0.6+dfsg/tests and -3.686596164 on output line 441 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.051536084 on reference line 486 in /build/mopac-22.0.6+dfsg/tests and -0.251457183 on output line 441 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -3.676127237 on reference line 487 in /build/mopac-22.0.6+dfsg/tests and -3.555148086 on output line 442 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -2.698118773 on reference line 487 in /build/mopac-22.0.6+dfsg/tests and -2.909841524 on output line 442 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.17121587 on reference line 487 in /build/mopac-22.0.6+dfsg/tests and 0.115523681 on output line 442 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.321381669 on reference line 488 in /build/mopac-22.0.6+dfsg/tests and -1.326232944 on output line 443 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.878557527 on reference line 488 in /build/mopac-22.0.6+dfsg/tests and 0.884671825 on output line 443 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.448046948 on reference line 488 in /build/mopac-22.0.6+dfsg/tests and 0.445614835 on output line 443 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.007671955 on reference line 489 in /build/mopac-22.0.6+dfsg/tests and -1.006509337 on output line 444 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.059347796 on reference line 489 in /build/mopac-22.0.6+dfsg/tests and 1.05569412 on output line 444 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -2.644609474 on reference line 489 in /build/mopac-22.0.6+dfsg/tests and -2.646892312 on output line 444 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -2.507837347 on reference line 490 in /build/mopac-22.0.6+dfsg/tests and -2.505426223 on output line 445 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.343355326 on reference line 490 in /build/mopac-22.0.6+dfsg/tests and 1.353308333 on output line 445 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.761833989 on reference line 490 in /build/mopac-22.0.6+dfsg/tests and -1.766072282 on output line 445 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.989905229 on reference line 491 in /build/mopac-22.0.6+dfsg/tests and 0.984374645 on output line 446 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.093205879 on reference line 491 in /build/mopac-22.0.6+dfsg/tests and 0.077803136 on output line 446 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.485959041 on reference line 491 in /build/mopac-22.0.6+dfsg/tests and -1.480453608 on output line 446 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.783894284 on reference line 492 in /build/mopac-22.0.6+dfsg/tests and 0.79389966 on output line 447 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 2.28063197 on reference line 492 in /build/mopac-22.0.6+dfsg/tests and 2.269446813 on output line 447 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.925435546 on reference line 492 in /build/mopac-22.0.6+dfsg/tests and -0.936383212 on output line 447 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 2.262431425 on reference line 493 in /build/mopac-22.0.6+dfsg/tests and 2.257538717 on output line 448 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.57405645 on reference line 493 in /build/mopac-22.0.6+dfsg/tests and -1.567833812 on output line 448 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.639003884 on reference line 493 in /build/mopac-22.0.6+dfsg/tests and 1.65267646 on output line 448 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.616287869 on reference line 494 in /build/mopac-22.0.6+dfsg/tests and 0.613184391 on output line 449 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.011941907 on reference line 494 in /build/mopac-22.0.6+dfsg/tests and 1.024267258 on output line 449 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.983452011 on reference line 495 in /build/mopac-22.0.6+dfsg/tests and 1.982377952 on output line 450 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.817228553 on reference line 495 in /build/mopac-22.0.6+dfsg/tests and -1.818500412 on output line 450 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.116911035 on reference line 495 in /build/mopac-22.0.6+dfsg/tests and -0.102672574 on output line 450 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 3.357056118 on reference line 496 in /build/mopac-22.0.6+dfsg/tests and 3.34833467 on output line 451 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.579638658 on reference line 496 in /build/mopac-22.0.6+dfsg/tests and 0.585098819 on output line 451 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.272824565 on reference line 496 in /build/mopac-22.0.6+dfsg/tests and 1.279747462 on output line 451 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 3.17530424 on reference line 497 in /build/mopac-22.0.6+dfsg/tests and 3.16889655 on output line 452 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.393421114 on reference line 497 in /build/mopac-22.0.6+dfsg/tests and 0.394711328 on output line 452 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.496777748 on reference line 497 in /build/mopac-22.0.6+dfsg/tests and -0.489713616 on output line 452 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 2.565620235 on reference line 498 in /build/mopac-22.0.6+dfsg/tests and 2.555595509 on output line 453 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.858876753 on reference line 498 in /build/mopac-22.0.6+dfsg/tests and 1.860707364 on output line 453 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.30125496 on reference line 498 in /build/mopac-22.0.6+dfsg/tests and 0.304642758 on output line 453 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.500990361 on reference line 499 in /build/mopac-22.0.6+dfsg/tests and 0.490182311 on output line 454 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.727889565 on reference line 499 in /build/mopac-22.0.6+dfsg/tests and 1.730768486 on output line 454 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.756606168 on reference line 499 in /build/mopac-22.0.6+dfsg/tests and 1.755443787 on output line 454 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.205936317 on reference line 500 in /build/mopac-22.0.6+dfsg/tests and -0.216484212 on output line 455 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.125052779 on reference line 500 in /build/mopac-22.0.6+dfsg/tests and 0.128327946 on output line 455 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 2.116449696 on reference line 500 in /build/mopac-22.0.6+dfsg/tests and 2.118330913 on output line 455 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.41882384 on reference line 501 in /build/mopac-22.0.6+dfsg/tests and 1.406514272 on output line 456 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.534751773 on reference line 501 in /build/mopac-22.0.6+dfsg/tests and 0.541206919 on output line 456 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 2.730854009 on reference line 501 in /build/mopac-22.0.6+dfsg/tests and 2.735292124 on output line 456 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -37.75802 on reference line 512 in /build/mopac-22.0.6+dfsg/tests and -37.75701 on output line 467 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -30.87062 on reference line 512 in /build/mopac-22.0.6+dfsg/tests and -30.86929 on output line 467 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -30.66999 on reference line 512 in /build/mopac-22.0.6+dfsg/tests and -30.6708 on output line 467 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -29.66846 on reference line 512 in /build/mopac-22.0.6+dfsg/tests and -29.66938 on output line 467 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -29.29648 on reference line 512 in /build/mopac-22.0.6+dfsg/tests and -29.29805 on output line 467 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -27.58721 on reference line 512 in /build/mopac-22.0.6+dfsg/tests and -27.58681 on output line 467 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -26.05047 on reference line 512 in /build/mopac-22.0.6+dfsg/tests and -26.05075 on output line 467 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -25.77659 on reference line 512 in /build/mopac-22.0.6+dfsg/tests and -25.77428 on output line 467 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -25.61624 on reference line 513 in /build/mopac-22.0.6+dfsg/tests and -25.61745 on output line 468 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -24.55724 on reference line 513 in /build/mopac-22.0.6+dfsg/tests and -24.5576 on output line 468 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -22.9129 on reference line 513 in /build/mopac-22.0.6+dfsg/tests and -22.91414 on output line 468 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -20.79724 on reference line 513 in /build/mopac-22.0.6+dfsg/tests and -20.80137 on output line 468 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -19.85269 on reference line 513 in /build/mopac-22.0.6+dfsg/tests and -19.85185 on output line 468 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -19.56964 on reference line 513 in /build/mopac-22.0.6+dfsg/tests and -19.56637 on output line 468 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -17.92031 on reference line 513 in /build/mopac-22.0.6+dfsg/tests and -17.92309 on output line 468 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -17.56361 on reference line 513 in /build/mopac-22.0.6+dfsg/tests and -17.56192 on output line 468 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -17.43262 on reference line 514 in /build/mopac-22.0.6+dfsg/tests and -17.43331 on output line 469 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -17.12318 on reference line 514 in /build/mopac-22.0.6+dfsg/tests and -17.11996 on output line 469 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -16.24344 on reference line 514 in /build/mopac-22.0.6+dfsg/tests and -16.24487 on output line 469 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -15.90795 on reference line 514 in /build/mopac-22.0.6+dfsg/tests and -15.92152 on output line 469 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -15.67386 on reference line 514 in /build/mopac-22.0.6+dfsg/tests and -15.66804 on output line 469 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -15.078 on reference line 514 in /build/mopac-22.0.6+dfsg/tests and -15.07666 on output line 469 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -14.98358 on reference line 514 in /build/mopac-22.0.6+dfsg/tests and -14.98411 on output line 469 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -14.78606 on reference line 514 in /build/mopac-22.0.6+dfsg/tests and -14.78582 on output line 469 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -14.49156 on reference line 515 in /build/mopac-22.0.6+dfsg/tests and -14.49061 on output line 470 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -14.12666 on reference line 515 in /build/mopac-22.0.6+dfsg/tests and -14.12063 on output line 470 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -13.84947 on reference line 515 in /build/mopac-22.0.6+dfsg/tests and -13.85071 on output line 470 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -13.80008 on reference line 515 in /build/mopac-22.0.6+dfsg/tests and -13.79761 on output line 470 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -13.75399 on reference line 515 in /build/mopac-22.0.6+dfsg/tests and -13.75412 on output line 470 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -13.63082 on reference line 515 in /build/mopac-22.0.6+dfsg/tests and -13.63131 on output line 470 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -13.58498 on reference line 515 in /build/mopac-22.0.6+dfsg/tests and -13.58005 on output line 470 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -13.10485 on reference line 515 in /build/mopac-22.0.6+dfsg/tests and -13.10762 on output line 470 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -12.9689 on reference line 516 in /build/mopac-22.0.6+dfsg/tests and -12.97569 on output line 471 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -12.82516 on reference line 516 in /build/mopac-22.0.6+dfsg/tests and -12.82571 on output line 471 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -12.3448 on reference line 516 in /build/mopac-22.0.6+dfsg/tests and -12.33967 on output line 471 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -11.8592 on reference line 516 in /build/mopac-22.0.6+dfsg/tests and -11.86884 on output line 471 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -11.23275 on reference line 516 in /build/mopac-22.0.6+dfsg/tests and -11.23427 on output line 471 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -11.02074 on reference line 516 in /build/mopac-22.0.6+dfsg/tests and -11.01706 on output line 471 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -10.81301 on reference line 516 in /build/mopac-22.0.6+dfsg/tests and -10.81167 on output line 471 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -10.18398 on reference line 516 in /build/mopac-22.0.6+dfsg/tests and -10.18522 on output line 471 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -8.20876 on reference line 517 in /build/mopac-22.0.6+dfsg/tests and -8.20809 on output line 472 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.8761 on reference line 517 in /build/mopac-22.0.6+dfsg/tests and 0.87653 on output line 472 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.35758 on reference line 517 in /build/mopac-22.0.6+dfsg/tests and 1.35922 on output line 472 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.60494 on reference line 517 in /build/mopac-22.0.6+dfsg/tests and 1.60372 on output line 472 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.89118 on reference line 517 in /build/mopac-22.0.6+dfsg/tests and 1.89339 on output line 472 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 2.80006 on reference line 517 in /build/mopac-22.0.6+dfsg/tests and 2.80022 on output line 472 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 2.88239 on reference line 517 in /build/mopac-22.0.6+dfsg/tests and 2.88316 on output line 472 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 3.05277 on reference line 517 in /build/mopac-22.0.6+dfsg/tests and 3.05234 on output line 472 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 3.73847 on reference line 518 in /build/mopac-22.0.6+dfsg/tests and 3.73978 on output line 473 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 4.00074 on reference line 518 in /build/mopac-22.0.6+dfsg/tests and 4.00043 on output line 473 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 4.13329 on reference line 518 in /build/mopac-22.0.6+dfsg/tests and 4.13264 on output line 473 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 4.46879 on reference line 518 in /build/mopac-22.0.6+dfsg/tests and 4.46962 on output line 473 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 4.48024 on reference line 518 in /build/mopac-22.0.6+dfsg/tests and 4.48128 on output line 473 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 4.58777 on reference line 518 in /build/mopac-22.0.6+dfsg/tests and 4.58882 on output line 473 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 4.65381 on reference line 518 in /build/mopac-22.0.6+dfsg/tests and 4.65335 on output line 473 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 4.78673 on reference line 519 in /build/mopac-22.0.6+dfsg/tests and 4.78593 on output line 474 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 4.84198 on reference line 519 in /build/mopac-22.0.6+dfsg/tests and 4.84159 on output line 474 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 5.01164 on reference line 519 in /build/mopac-22.0.6+dfsg/tests and 5.01202 on output line 474 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 5.11992 on reference line 519 in /build/mopac-22.0.6+dfsg/tests and 5.12172 on output line 474 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 5.13945 on reference line 519 in /build/mopac-22.0.6+dfsg/tests and 5.13167 on output line 474 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 5.1921 on reference line 519 in /build/mopac-22.0.6+dfsg/tests and 5.19133 on output line 474 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 5.28241 on reference line 519 in /build/mopac-22.0.6+dfsg/tests and 5.28426 on output line 474 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 5.52387 on reference line 519 in /build/mopac-22.0.6+dfsg/tests and 5.52503 on output line 474 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 5.54996 on reference line 520 in /build/mopac-22.0.6+dfsg/tests and 5.54916 on output line 475 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 5.71257 on reference line 520 in /build/mopac-22.0.6+dfsg/tests and 5.71048 on output line 475 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 5.81029 on reference line 520 in /build/mopac-22.0.6+dfsg/tests and 5.81083 on output line 475 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 5.82863 on reference line 520 in /build/mopac-22.0.6+dfsg/tests and 5.82907 on output line 475 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 5.90551 on reference line 520 in /build/mopac-22.0.6+dfsg/tests and 5.90616 on output line 475 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 6.29807 on reference line 520 in /build/mopac-22.0.6+dfsg/tests and 6.29785 on output line 475 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 6.39598 on reference line 520 in /build/mopac-22.0.6+dfsg/tests and 6.39737 on output line 475 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 6.58365 on reference line 520 in /build/mopac-22.0.6+dfsg/tests and 6.58319 on output line 475 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.516685 on reference line 527 in /build/mopac-22.0.6+dfsg/tests and -0.516185 on output line 482 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 4.5167 on reference line 527 in /build/mopac-22.0.6+dfsg/tests and 4.5162 on output line 482 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 3.45502 on reference line 527 in /build/mopac-22.0.6+dfsg/tests and 3.45456 on output line 482 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.664068 on reference line 528 in /build/mopac-22.0.6+dfsg/tests and 0.664604 on output line 483 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 3.3359 on reference line 528 in /build/mopac-22.0.6+dfsg/tests and 3.3354 on output line 483 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 2.23155 on reference line 528 in /build/mopac-22.0.6+dfsg/tests and 2.23108 on output line 483 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.614462 on reference line 529 in /build/mopac-22.0.6+dfsg/tests and -0.615158 on output line 484 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 6.6145 on reference line 529 in /build/mopac-22.0.6+dfsg/tests and 6.6152 on output line 484 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 4.73765 on reference line 529 in /build/mopac-22.0.6+dfsg/tests and 4.73837 on output line 484 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.479741 on reference line 530 in /build/mopac-22.0.6+dfsg/tests and -0.479036 on output line 485 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 6.4797 on reference line 530 in /build/mopac-22.0.6+dfsg/tests and 6.479 on output line 485 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 4.61216 on reference line 530 in /build/mopac-22.0.6+dfsg/tests and 4.61144 on output line 485 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.247391 on reference line 531 in /build/mopac-22.0.6+dfsg/tests and 0.247628 on output line 486 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 3.7526 on reference line 531 in /build/mopac-22.0.6+dfsg/tests and 3.7524 on output line 486 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 2.67434 on reference line 531 in /build/mopac-22.0.6+dfsg/tests and 2.67417 on output line 486 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.583424 on reference line 534 in /build/mopac-22.0.6+dfsg/tests and -0.583576 on output line 489 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 6.5834 on reference line 534 in /build/mopac-22.0.6+dfsg/tests and 6.5836 on output line 489 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 4.74291 on reference line 534 in /build/mopac-22.0.6+dfsg/tests and 4.74303 on output line 489 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.754665 on reference line 536 in /build/mopac-22.0.6+dfsg/tests and -0.755238 on output line 491 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 4.7547 on reference line 536 in /build/mopac-22.0.6+dfsg/tests and 4.7552 on output line 491 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.04344 on reference line 536 in /build/mopac-22.0.6+dfsg/tests and 1.04317 on output line 491 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 3.71123 on reference line 536 in /build/mopac-22.0.6+dfsg/tests and 3.71207 on output line 491 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.221509 on reference line 537 in /build/mopac-22.0.6+dfsg/tests and 0.221732 on output line 492 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 4.7785 on reference line 537 in /build/mopac-22.0.6+dfsg/tests and 4.7783 on output line 492 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 3.30772 on reference line 537 in /build/mopac-22.0.6+dfsg/tests and 3.30753 on output line 492 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.34236 on reference line 539 in /build/mopac-22.0.6+dfsg/tests and -0.342593 on output line 494 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 4.3424 on reference line 539 in /build/mopac-22.0.6+dfsg/tests and 4.3426 on output line 494 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 3.26073 on reference line 539 in /build/mopac-22.0.6+dfsg/tests and 3.26089 on output line 494 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.182587 on reference line 541 in /build/mopac-22.0.6+dfsg/tests and 0.183467 on output line 496 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.8174 on reference line 541 in /build/mopac-22.0.6+dfsg/tests and 0.8165 on output line 496 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.81741 on reference line 541 in /build/mopac-22.0.6+dfsg/tests and 0.81653 on output line 496 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.177592 on reference line 542 in /build/mopac-22.0.6+dfsg/tests and 0.177022 on output line 497 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.8224 on reference line 542 in /build/mopac-22.0.6+dfsg/tests and 0.823 on output line 497 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.82241 on reference line 542 in /build/mopac-22.0.6+dfsg/tests and 0.82298 on output line 497 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.185278 on reference line 543 in /build/mopac-22.0.6+dfsg/tests and 0.184363 on output line 498 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.8147 on reference line 543 in /build/mopac-22.0.6+dfsg/tests and 0.8156 on output line 498 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.81472 on reference line 543 in /build/mopac-22.0.6+dfsg/tests and 0.81564 on output line 498 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.126457 on reference line 544 in /build/mopac-22.0.6+dfsg/tests and 0.126355 on output line 499 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.166295 on reference line 551 in /build/mopac-22.0.6+dfsg/tests and 0.16611 on output line 506 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.8337 on reference line 551 in /build/mopac-22.0.6+dfsg/tests and 0.8339 on output line 506 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.83371 on reference line 551 in /build/mopac-22.0.6+dfsg/tests and 0.83389 on output line 506 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.8221 on reference line 554 in /build/mopac-22.0.6+dfsg/tests and 0.822 on output line 509 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 4.789 on reference line 559 in /build/mopac-22.0.6+dfsg/tests and 4.769 on output line 514 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -5.417 on reference line 559 in /build/mopac-22.0.6+dfsg/tests and -5.426 on output line 514 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 2.451 on reference line 559 in /build/mopac-22.0.6+dfsg/tests and 2.478 on output line 514 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 7.634 on reference line 559 in /build/mopac-22.0.6+dfsg/tests and 7.637 on output line 514 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.313 on reference line 560 in /build/mopac-22.0.6+dfsg/tests and 0.332 on output line 515 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.695 on reference line 560 in /build/mopac-22.0.6+dfsg/tests and -0.705 on output line 515 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.193 on reference line 560 in /build/mopac-22.0.6+dfsg/tests and 0.2 on output line 515 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.786 on reference line 560 in /build/mopac-22.0.6+dfsg/tests and 0.805 on output line 515 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -6.111 on reference line 561 in /build/mopac-22.0.6+dfsg/tests and -6.131 on output line 516 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 2.644 on reference line 561 in /build/mopac-22.0.6+dfsg/tests and 2.678 on output line 516 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 8.388 on reference line 561 in /build/mopac-22.0.6+dfsg/tests and 8.414 on output line 516 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.16502 on reference line 567 in /build/mopac-22.0.6+dfsg/tests and 1.16563 on output line 522 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.10085 on reference line 567 in /build/mopac-22.0.6+dfsg/tests and 1.09829 on output line 522 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.18914 on reference line 567 in /build/mopac-22.0.6+dfsg/tests and 1.19064 on output line 522 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.68635 on reference line 568 in /build/mopac-22.0.6+dfsg/tests and 0.68577 on output line 523 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.78333 on reference line 568 in /build/mopac-22.0.6+dfsg/tests and 0.78367 on output line 523 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.76188 on reference line 568 in /build/mopac-22.0.6+dfsg/tests and 0.76165 on output line 523 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.61195 on reference line 569 in /build/mopac-22.0.6+dfsg/tests and 1.61139 on output line 524 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.80479 on reference line 569 in /build/mopac-22.0.6+dfsg/tests and 1.80588 on output line 524 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.32091 on reference line 569 in /build/mopac-22.0.6+dfsg/tests and 1.3211 on output line 524 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.71146 on reference line 570 in /build/mopac-22.0.6+dfsg/tests and 1.70985 on output line 525 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.41849 on reference line 570 in /build/mopac-22.0.6+dfsg/tests and 1.41828 on output line 525 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.48221 on reference line 570 in /build/mopac-22.0.6+dfsg/tests and 1.48331 on output line 525 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.91572 on reference line 571 in /build/mopac-22.0.6+dfsg/tests and 0.91475 on output line 526 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.75425 on reference line 571 in /build/mopac-22.0.6+dfsg/tests and 0.75546 on output line 526 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.00436 on reference line 571 in /build/mopac-22.0.6+dfsg/tests and 1.00395 on output line 526 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.18446 on reference line 572 in /build/mopac-22.0.6+dfsg/tests and 1.18432 on output line 527 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.03636 on reference line 572 in /build/mopac-22.0.6+dfsg/tests and 1.03673 on output line 527 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.13324 on reference line 572 in /build/mopac-22.0.6+dfsg/tests and 1.13304 on output line 527 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.66929 on reference line 573 in /build/mopac-22.0.6+dfsg/tests and 0.66912 on output line 528 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.38434 on reference line 574 in /build/mopac-22.0.6+dfsg/tests and 1.38417 on output line 529 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.54098 on reference line 574 in /build/mopac-22.0.6+dfsg/tests and 1.54065 on output line 529 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.81759 on reference line 574 in /build/mopac-22.0.6+dfsg/tests and 1.81822 on output line 529 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.57592 on reference line 575 in /build/mopac-22.0.6+dfsg/tests and 1.58018 on output line 530 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.50774 on reference line 575 in /build/mopac-22.0.6+dfsg/tests and 1.50404 on output line 530 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.51569 on reference line 575 in /build/mopac-22.0.6+dfsg/tests and 1.51512 on output line 530 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.04344 on reference line 576 in /build/mopac-22.0.6+dfsg/tests and 1.04317 on output line 531 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.02518 on reference line 576 in /build/mopac-22.0.6+dfsg/tests and 1.02751 on output line 531 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.74704 on reference line 576 in /build/mopac-22.0.6+dfsg/tests and 1.74629 on output line 531 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.939 on reference line 576 in /build/mopac-22.0.6+dfsg/tests and 0.93826 on output line 531 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.07907 on reference line 577 in /build/mopac-22.0.6+dfsg/tests and 1.07893 on output line 532 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.20478 on reference line 578 in /build/mopac-22.0.6+dfsg/tests and 1.2046 on output line 533 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.90759 on reference line 578 in /build/mopac-22.0.6+dfsg/tests and 0.90828 on output line 533 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.17531 on reference line 578 in /build/mopac-22.0.6+dfsg/tests and 1.17483 on output line 533 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.9387 on reference line 579 in /build/mopac-22.0.6+dfsg/tests and 0.93928 on output line 534 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.14352 on reference line 579 in /build/mopac-22.0.6+dfsg/tests and 1.14316 on output line 534 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.16639 on reference line 580 in /build/mopac-22.0.6+dfsg/tests and 1.16595 on output line 535 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.16762 on reference line 580 in /build/mopac-22.0.6+dfsg/tests and 1.167 on output line 535 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.94631 on reference line 580 in /build/mopac-22.0.6+dfsg/tests and 0.94737 on output line 535 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.81741 on reference line 581 in /build/mopac-22.0.6+dfsg/tests and 0.81653 on output line 536 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.82241 on reference line 582 in /build/mopac-22.0.6+dfsg/tests and 0.82298 on output line 537 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.81472 on reference line 583 in /build/mopac-22.0.6+dfsg/tests and 0.81564 on output line 538 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.83371 on reference line 591 in /build/mopac-22.0.6+dfsg/tests and 0.83389 on output line 546 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.331 on reference line 601 in /build/mopac-22.0.6+dfsg/tests and -1.326 on output line 556 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -5.578 on reference line 601 in /build/mopac-22.0.6+dfsg/tests and -5.579 on output line 556 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -6.909 on reference line 601 in /build/mopac-22.0.6+dfsg/tests and -6.904 on output line 556 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -4054.5224 on reference line 610 in /build/mopac-22.0.6+dfsg/tests and -4054.5048 on output line 565 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1748.451 on reference line 611 in /build/mopac-22.0.6+dfsg/tests and 1748.4437 on output line 566 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -2306.0714 on reference line 613 in /build/mopac-22.0.6+dfsg/tests and -2306.0611 on output line 568 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -391.0962 on reference line 617 in /build/mopac-22.0.6+dfsg/tests and -391.1014 on output line 572 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -162.9679 on reference line 618 in /build/mopac-22.0.6+dfsg/tests and -162.968 on output line 573 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -554.0641 on reference line 620 in /build/mopac-22.0.6+dfsg/tests and -554.0694 on output line 575 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 13471.5437 on reference line 622 in /build/mopac-22.0.6+dfsg/tests and 13473.5614 on output line 577 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -27159.4273 on reference line 623 in /build/mopac-22.0.6+dfsg/tests and -27163.4746 on output line 578 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 13845.8994 on reference line 624 in /build/mopac-22.0.6+dfsg/tests and 13847.9245 on output line 579 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 158.0158 on reference line 626 in /build/mopac-22.0.6+dfsg/tests and 158.0113 on output line 581 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -396.0482 on reference line 628 in /build/mopac-22.0.6+dfsg/tests and -396.0581 on output line 583 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -2702.1196 on reference line 630 in /build/mopac-22.0.6+dfsg/tests and -2702.1192 on output line 585 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 75: WARNING: numerical heat mismatch between 6.52314 on reference line 78 in /build/mopac-22.0.6+dfsg/tests/keywords and 6.52269 on output line 78 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 75: WARNING: numerical mismatch between 27.29281 on reference line 78 in /build/mopac-22.0.6+dfsg/tests/keywords and 27.29093 on output line 78 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 75: WARNING: numerical heat mismatch between 6.58382 on reference line 1857 in /build/mopac-22.0.6+dfsg/tests/keywords and 6.58337 on output line 1857 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 75: WARNING: numerical mismatch between 27.54671 on reference line 1857 in /build/mopac-22.0.6+dfsg/tests/keywords and 27.54483 on output line 1857 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -112/118 Test #27: erratic-1 ........................ Passed 26.05 sec -113/118 Test #75: key-CISDT ........................ Passed 14.71 sec +111/118 Test #75: key-CISDT ........................ Passed 14.18 sec +28: +28: +28: MOPAC Job: "erratic2.mop" ended normally on Jul 5, 2024, at 01:49. +28: +112/118 Test #28: erratic-2 ........................ Passed 26.87 sec +27: +27: +27: MOPAC Job: "erratic1.mop" ended normally on Jul 5, 2024, at 01:49. +27: +27: WARNING: numerical mismatch between -701.56682 on reference line 394 in /build/mopac-22.0.6+dfsg/tests and -701.56642 on output line 381 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -62312.35849 on reference line 396 in /build/mopac-22.0.6+dfsg/tests and -62312.35797 on output line 383 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -160.7693 on reference line 398 in /build/mopac-22.0.6+dfsg/tests and -160.76877 on output line 385 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -5.57843 on reference line 399 in /build/mopac-22.0.6+dfsg/tests and -5.57823 on output line 386 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.33076 on reference line 400 in /build/mopac-22.0.6+dfsg/tests and -1.3314 on output line 387 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -16548.01905 on reference line 407 in /build/mopac-22.0.6+dfsg/tests and -16547.90354 on output line 394 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 13845.89944 on reference line 408 in /build/mopac-22.0.6+dfsg/tests and 13845.78396 on output line 395 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 230.29 on reference line 409 in /build/mopac-22.0.6+dfsg/tests and 230.25 on output line 396 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 254.73 on reference line 410 in /build/mopac-22.0.6+dfsg/tests and 254.71 on output line 397 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 8.208764 on reference line 413 in /build/mopac-22.0.6+dfsg/tests and 8.208875 on output line 400 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -2.60376657 on reference line 437 in /build/mopac-22.0.6+dfsg/tests and -2.60397233 on output line 424 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -2.77277753 on reference line 437 in /build/mopac-22.0.6+dfsg/tests and -2.77250019 on output line 424 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.41133099 on reference line 437 in /build/mopac-22.0.6+dfsg/tests and -0.41115124 on output line 424 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.57879337 on reference line 438 in /build/mopac-22.0.6+dfsg/tests and -1.57858646 on output line 425 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.11520018 on reference line 438 in /build/mopac-22.0.6+dfsg/tests and 0.11531014 on output line 425 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.57074046 on reference line 439 in /build/mopac-22.0.6+dfsg/tests and -1.57094221 on output line 426 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.40249731 on reference line 439 in /build/mopac-22.0.6+dfsg/tests and -1.40225327 on output line 426 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.27808517 on reference line 439 in /build/mopac-22.0.6+dfsg/tests and 1.27823479 on output line 426 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.59229687 on reference line 440 in /build/mopac-22.0.6+dfsg/tests and -1.59193266 on output line 427 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.89284881 on reference line 441 in /build/mopac-22.0.6+dfsg/tests and -0.89264762 on output line 428 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.54395921 on reference line 441 in /build/mopac-22.0.6+dfsg/tests and 0.54408219 on output line 428 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.40311806 on reference line 442 in /build/mopac-22.0.6+dfsg/tests and -1.40290593 on output line 429 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.43237831 on reference line 442 in /build/mopac-22.0.6+dfsg/tests and 1.43223184 on output line 429 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.67660638 on reference line 442 in /build/mopac-22.0.6+dfsg/tests and -1.67681965 on output line 429 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.0187886 on reference line 443 in /build/mopac-22.0.6+dfsg/tests and -1.01891686 on output line 430 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.49171382 on reference line 443 in /build/mopac-22.0.6+dfsg/tests and -1.49222152 on output line 430 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.25750982 on reference line 444 in /build/mopac-22.0.6+dfsg/tests and 0.25703412 on output line 431 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 3.12226931 on reference line 444 in /build/mopac-22.0.6+dfsg/tests and 3.12260813 on output line 431 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.12243648 on reference line 444 in /build/mopac-22.0.6+dfsg/tests and -1.12197432 on output line 431 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.75256122 on reference line 445 in /build/mopac-22.0.6+dfsg/tests and -1.75268494 on output line 432 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 3.81186879 on reference line 445 in /build/mopac-22.0.6+dfsg/tests and 3.81166949 on output line 432 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.67080063 on reference line 445 in /build/mopac-22.0.6+dfsg/tests and -1.67224615 on output line 432 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.54065551 on reference line 446 in /build/mopac-22.0.6+dfsg/tests and 0.540869 on output line 433 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.35927977 on reference line 446 in /build/mopac-22.0.6+dfsg/tests and 0.35957966 on output line 433 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.54738855 on reference line 446 in /build/mopac-22.0.6+dfsg/tests and -0.5472533 on output line 433 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.61179722 on reference line 447 in /build/mopac-22.0.6+dfsg/tests and 0.61192701 on output line 434 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.37266093 on reference line 448 in /build/mopac-22.0.6+dfsg/tests and -1.37284071 on output line 435 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.80514567 on reference line 448 in /build/mopac-22.0.6+dfsg/tests and 0.80479277 on output line 435 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 2.69104184 on reference line 449 in /build/mopac-22.0.6+dfsg/tests and 2.69118723 on output line 436 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.76778008 on reference line 449 in /build/mopac-22.0.6+dfsg/tests and 0.76767726 on output line 436 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.41994662 on reference line 449 in /build/mopac-22.0.6+dfsg/tests and 0.4204266 on output line 436 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.65713067 on reference line 450 in /build/mopac-22.0.6+dfsg/tests and 0.65667483 on output line 437 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.87508764 on reference line 450 in /build/mopac-22.0.6+dfsg/tests and 1.87532735 on output line 437 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -2.51233194 on reference line 451 in /build/mopac-22.0.6+dfsg/tests and -2.51817269 on output line 438 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -2.8680436 on reference line 451 in /build/mopac-22.0.6+dfsg/tests and -2.86418778 on output line 438 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.50361508 on reference line 451 in /build/mopac-22.0.6+dfsg/tests and -1.50417884 on output line 438 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -2.22720325 on reference line 452 in /build/mopac-22.0.6+dfsg/tests and -2.22280371 on output line 439 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -3.69602238 on reference line 452 in /build/mopac-22.0.6+dfsg/tests and -3.69633058 on output line 439 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.05153608 on reference line 452 in /build/mopac-22.0.6+dfsg/tests and 0.04670822 on output line 439 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -3.67612724 on reference line 453 in /build/mopac-22.0.6+dfsg/tests and -3.67513299 on output line 440 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -2.69811877 on reference line 453 in /build/mopac-22.0.6+dfsg/tests and -2.70107936 on output line 440 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.17121587 on reference line 453 in /build/mopac-22.0.6+dfsg/tests and -0.16488962 on output line 440 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.87855753 on reference line 454 in /build/mopac-22.0.6+dfsg/tests and 0.87873286 on output line 441 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.00767196 on reference line 455 in /build/mopac-22.0.6+dfsg/tests and -1.0072564 on output line 442 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.0593478 on reference line 455 in /build/mopac-22.0.6+dfsg/tests and 1.05906484 on output line 442 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -2.50783735 on reference line 456 in /build/mopac-22.0.6+dfsg/tests and -2.50760065 on output line 443 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.34335533 on reference line 456 in /build/mopac-22.0.6+dfsg/tests and 1.34296481 on output line 443 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.76183399 on reference line 456 in /build/mopac-22.0.6+dfsg/tests and -1.76217993 on output line 443 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.98990523 on reference line 457 in /build/mopac-22.0.6+dfsg/tests and 0.99029214 on output line 444 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.09320588 on reference line 457 in /build/mopac-22.0.6+dfsg/tests and 0.09397473 on output line 444 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.78389428 on reference line 458 in /build/mopac-22.0.6+dfsg/tests and 0.78352829 on output line 445 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 2.28063197 on reference line 458 in /build/mopac-22.0.6+dfsg/tests and 2.28112876 on output line 445 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.92543555 on reference line 458 in /build/mopac-22.0.6+dfsg/tests and -0.92463633 on output line 445 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 2.26243142 on reference line 459 in /build/mopac-22.0.6+dfsg/tests and 2.26288347 on output line 446 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.57405645 on reference line 459 in /build/mopac-22.0.6+dfsg/tests and -1.57458691 on output line 446 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.63900388 on reference line 459 in /build/mopac-22.0.6+dfsg/tests and 1.6381401 on output line 446 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.98345201 on reference line 461 in /build/mopac-22.0.6+dfsg/tests and 1.98269019 on output line 448 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.11691103 on reference line 461 in /build/mopac-22.0.6+dfsg/tests and -0.11764015 on output line 448 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.57963866 on reference line 462 in /build/mopac-22.0.6+dfsg/tests and 0.5794681 on output line 449 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.27282456 on reference line 462 in /build/mopac-22.0.6+dfsg/tests and 1.27344928 on output line 449 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 3.17530424 on reference line 463 in /build/mopac-22.0.6+dfsg/tests and 3.17562749 on output line 450 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.49677775 on reference line 463 in /build/mopac-22.0.6+dfsg/tests and -0.49623256 on output line 450 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 2.56562024 on reference line 464 in /build/mopac-22.0.6+dfsg/tests and 2.56585161 on output line 451 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.30125496 on reference line 464 in /build/mopac-22.0.6+dfsg/tests and 0.30179438 on output line 451 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.50099036 on reference line 465 in /build/mopac-22.0.6+dfsg/tests and 0.50129927 on output line 452 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.72788957 on reference line 465 in /build/mopac-22.0.6+dfsg/tests and 1.7275492 on output line 452 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.75660617 on reference line 465 in /build/mopac-22.0.6+dfsg/tests and 1.75723993 on output line 452 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.20593632 on reference line 466 in /build/mopac-22.0.6+dfsg/tests and -0.20611008 on output line 453 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.12505278 on reference line 466 in /build/mopac-22.0.6+dfsg/tests and 0.1246956 on output line 453 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 2.1164497 on reference line 466 in /build/mopac-22.0.6+dfsg/tests and 2.11629546 on output line 453 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.41882384 on reference line 467 in /build/mopac-22.0.6+dfsg/tests and 1.41860933 on output line 454 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.53475177 on reference line 467 in /build/mopac-22.0.6+dfsg/tests and 0.53377291 on output line 454 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 2.73085401 on reference line 467 in /build/mopac-22.0.6+dfsg/tests and 2.73119615 on output line 454 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -2.603766572 on reference line 471 in /build/mopac-22.0.6+dfsg/tests and -2.603972335 on output line 458 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -2.77277753 on reference line 471 in /build/mopac-22.0.6+dfsg/tests and -2.772500191 on output line 458 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.41133099 on reference line 471 in /build/mopac-22.0.6+dfsg/tests and -0.411151238 on output line 458 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.578793369 on reference line 472 in /build/mopac-22.0.6+dfsg/tests and -1.57858646 on output line 459 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.115200176 on reference line 472 in /build/mopac-22.0.6+dfsg/tests and 0.115310144 on output line 459 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.570740457 on reference line 473 in /build/mopac-22.0.6+dfsg/tests and -1.570942208 on output line 460 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.402497306 on reference line 473 in /build/mopac-22.0.6+dfsg/tests and -1.402253274 on output line 460 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.27808517 on reference line 473 in /build/mopac-22.0.6+dfsg/tests and 1.278234789 on output line 460 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.592296872 on reference line 474 in /build/mopac-22.0.6+dfsg/tests and -1.591932657 on output line 461 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.89284881 on reference line 475 in /build/mopac-22.0.6+dfsg/tests and -0.892647618 on output line 462 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.543959211 on reference line 475 in /build/mopac-22.0.6+dfsg/tests and 0.544082193 on output line 462 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.403118059 on reference line 476 in /build/mopac-22.0.6+dfsg/tests and -1.402905934 on output line 463 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.432378309 on reference line 476 in /build/mopac-22.0.6+dfsg/tests and 1.432231837 on output line 463 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.676606385 on reference line 476 in /build/mopac-22.0.6+dfsg/tests and -1.676819646 on output line 463 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.018788602 on reference line 477 in /build/mopac-22.0.6+dfsg/tests and -1.018916856 on output line 464 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.491713817 on reference line 477 in /build/mopac-22.0.6+dfsg/tests and -1.492221525 on output line 464 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.257509816 on reference line 478 in /build/mopac-22.0.6+dfsg/tests and 0.257034123 on output line 465 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 3.122269309 on reference line 478 in /build/mopac-22.0.6+dfsg/tests and 3.12260813 on output line 465 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.122436478 on reference line 478 in /build/mopac-22.0.6+dfsg/tests and -1.121974319 on output line 465 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.752561221 on reference line 479 in /build/mopac-22.0.6+dfsg/tests and -1.752684942 on output line 466 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 3.811868789 on reference line 479 in /build/mopac-22.0.6+dfsg/tests and 3.811669487 on output line 466 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.67080063 on reference line 479 in /build/mopac-22.0.6+dfsg/tests and -1.672246145 on output line 466 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.540655505 on reference line 480 in /build/mopac-22.0.6+dfsg/tests and 0.540869001 on output line 467 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.359279769 on reference line 480 in /build/mopac-22.0.6+dfsg/tests and 0.359579656 on output line 467 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.547388554 on reference line 480 in /build/mopac-22.0.6+dfsg/tests and -0.547253304 on output line 467 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.611797223 on reference line 481 in /build/mopac-22.0.6+dfsg/tests and 0.611927007 on output line 468 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.37266093 on reference line 482 in /build/mopac-22.0.6+dfsg/tests and -1.372840709 on output line 469 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.805145673 on reference line 482 in /build/mopac-22.0.6+dfsg/tests and 0.804792772 on output line 469 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 2.691041843 on reference line 483 in /build/mopac-22.0.6+dfsg/tests and 2.691187226 on output line 470 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.767780081 on reference line 483 in /build/mopac-22.0.6+dfsg/tests and 0.767677258 on output line 470 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.41994662 on reference line 483 in /build/mopac-22.0.6+dfsg/tests and 0.4204266 on output line 470 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.657130669 on reference line 484 in /build/mopac-22.0.6+dfsg/tests and 0.656674833 on output line 471 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.875087639 on reference line 484 in /build/mopac-22.0.6+dfsg/tests and 1.875327355 on output line 471 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -2.512331939 on reference line 485 in /build/mopac-22.0.6+dfsg/tests and -2.518172686 on output line 472 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -2.868043604 on reference line 485 in /build/mopac-22.0.6+dfsg/tests and -2.864187785 on output line 472 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.503615084 on reference line 485 in /build/mopac-22.0.6+dfsg/tests and -1.504178836 on output line 472 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -2.227203252 on reference line 486 in /build/mopac-22.0.6+dfsg/tests and -2.222803711 on output line 473 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -3.696022377 on reference line 486 in /build/mopac-22.0.6+dfsg/tests and -3.696330582 on output line 473 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.051536084 on reference line 486 in /build/mopac-22.0.6+dfsg/tests and 0.046708224 on output line 473 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -3.676127237 on reference line 487 in /build/mopac-22.0.6+dfsg/tests and -3.67513299 on output line 474 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -2.698118773 on reference line 487 in /build/mopac-22.0.6+dfsg/tests and -2.70107936 on output line 474 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.17121587 on reference line 487 in /build/mopac-22.0.6+dfsg/tests and -0.164889624 on output line 474 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.878557527 on reference line 488 in /build/mopac-22.0.6+dfsg/tests and 0.878732862 on output line 475 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.007671955 on reference line 489 in /build/mopac-22.0.6+dfsg/tests and -1.007256398 on output line 476 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.059347796 on reference line 489 in /build/mopac-22.0.6+dfsg/tests and 1.05906484 on output line 476 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -2.507837347 on reference line 490 in /build/mopac-22.0.6+dfsg/tests and -2.507600652 on output line 477 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.343355326 on reference line 490 in /build/mopac-22.0.6+dfsg/tests and 1.342964815 on output line 477 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.761833989 on reference line 490 in /build/mopac-22.0.6+dfsg/tests and -1.762179929 on output line 477 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.989905229 on reference line 491 in /build/mopac-22.0.6+dfsg/tests and 0.99029214 on output line 478 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.093205879 on reference line 491 in /build/mopac-22.0.6+dfsg/tests and 0.093974733 on output line 478 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.783894284 on reference line 492 in /build/mopac-22.0.6+dfsg/tests and 0.783528288 on output line 479 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 2.28063197 on reference line 492 in /build/mopac-22.0.6+dfsg/tests and 2.281128762 on output line 479 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.925435546 on reference line 492 in /build/mopac-22.0.6+dfsg/tests and -0.924636328 on output line 479 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 2.262431425 on reference line 493 in /build/mopac-22.0.6+dfsg/tests and 2.262883468 on output line 480 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.57405645 on reference line 493 in /build/mopac-22.0.6+dfsg/tests and -1.574586906 on output line 480 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.639003884 on reference line 493 in /build/mopac-22.0.6+dfsg/tests and 1.638140105 on output line 480 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.983452011 on reference line 495 in /build/mopac-22.0.6+dfsg/tests and 1.982690191 on output line 482 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.116911035 on reference line 495 in /build/mopac-22.0.6+dfsg/tests and -0.11764015 on output line 482 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.579638658 on reference line 496 in /build/mopac-22.0.6+dfsg/tests and 0.579468097 on output line 483 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.272824565 on reference line 496 in /build/mopac-22.0.6+dfsg/tests and 1.273449279 on output line 483 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 3.17530424 on reference line 497 in /build/mopac-22.0.6+dfsg/tests and 3.175627494 on output line 484 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.496777748 on reference line 497 in /build/mopac-22.0.6+dfsg/tests and -0.496232562 on output line 484 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 2.565620235 on reference line 498 in /build/mopac-22.0.6+dfsg/tests and 2.565851606 on output line 485 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.30125496 on reference line 498 in /build/mopac-22.0.6+dfsg/tests and 0.301794385 on output line 485 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.500990361 on reference line 499 in /build/mopac-22.0.6+dfsg/tests and 0.501299267 on output line 486 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.727889565 on reference line 499 in /build/mopac-22.0.6+dfsg/tests and 1.727549196 on output line 486 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.756606168 on reference line 499 in /build/mopac-22.0.6+dfsg/tests and 1.757239934 on output line 486 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.205936317 on reference line 500 in /build/mopac-22.0.6+dfsg/tests and -0.206110076 on output line 487 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.125052779 on reference line 500 in /build/mopac-22.0.6+dfsg/tests and 0.124695604 on output line 487 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 2.116449696 on reference line 500 in /build/mopac-22.0.6+dfsg/tests and 2.116295457 on output line 487 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.41882384 on reference line 501 in /build/mopac-22.0.6+dfsg/tests and 1.418609327 on output line 488 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.534751773 on reference line 501 in /build/mopac-22.0.6+dfsg/tests and 0.533772912 on output line 488 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 2.730854009 on reference line 501 in /build/mopac-22.0.6+dfsg/tests and 2.731196152 on output line 488 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -29.66846 on reference line 512 in /build/mopac-22.0.6+dfsg/tests and -29.66857 on output line 499 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -26.05047 on reference line 512 in /build/mopac-22.0.6+dfsg/tests and -26.05072 on output line 499 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -22.9129 on reference line 513 in /build/mopac-22.0.6+dfsg/tests and -22.91302 on output line 500 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -20.79724 on reference line 513 in /build/mopac-22.0.6+dfsg/tests and -20.79736 on output line 500 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -19.56964 on reference line 513 in /build/mopac-22.0.6+dfsg/tests and -19.56988 on output line 500 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -17.12318 on reference line 514 in /build/mopac-22.0.6+dfsg/tests and -17.12333 on output line 501 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -16.24344 on reference line 514 in /build/mopac-22.0.6+dfsg/tests and -16.24355 on output line 501 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -14.78606 on reference line 514 in /build/mopac-22.0.6+dfsg/tests and -14.78619 on output line 501 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -14.49156 on reference line 515 in /build/mopac-22.0.6+dfsg/tests and -14.49173 on output line 502 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -14.12666 on reference line 515 in /build/mopac-22.0.6+dfsg/tests and -14.12648 on output line 502 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -13.80008 on reference line 515 in /build/mopac-22.0.6+dfsg/tests and -13.79994 on output line 502 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -13.58498 on reference line 515 in /build/mopac-22.0.6+dfsg/tests and -13.58535 on output line 502 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -13.10485 on reference line 515 in /build/mopac-22.0.6+dfsg/tests and -13.10445 on output line 502 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -12.82516 on reference line 516 in /build/mopac-22.0.6+dfsg/tests and -12.82545 on output line 503 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -12.3448 on reference line 516 in /build/mopac-22.0.6+dfsg/tests and -12.34495 on output line 503 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -11.8592 on reference line 516 in /build/mopac-22.0.6+dfsg/tests and -11.85938 on output line 503 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -11.02074 on reference line 516 in /build/mopac-22.0.6+dfsg/tests and -11.02095 on output line 503 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -8.20876 on reference line 517 in /build/mopac-22.0.6+dfsg/tests and -8.20887 on output line 504 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.60494 on reference line 517 in /build/mopac-22.0.6+dfsg/tests and 1.60508 on output line 504 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.89118 on reference line 517 in /build/mopac-22.0.6+dfsg/tests and 1.89098 on output line 504 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 3.73847 on reference line 518 in /build/mopac-22.0.6+dfsg/tests and 3.73821 on output line 505 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 4.65381 on reference line 518 in /build/mopac-22.0.6+dfsg/tests and 4.6537 on output line 505 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 4.78673 on reference line 519 in /build/mopac-22.0.6+dfsg/tests and 4.78663 on output line 506 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 5.71257 on reference line 520 in /build/mopac-22.0.6+dfsg/tests and 5.71243 on output line 507 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 6.39598 on reference line 520 in /build/mopac-22.0.6+dfsg/tests and 6.39614 on output line 507 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 7.24976 on reference line 521 in /build/mopac-22.0.6+dfsg/tests and 7.24962 on output line 508 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -5.417 on reference line 559 in /build/mopac-22.0.6+dfsg/tests and -5.418 on output line 546 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 2.451 on reference line 559 in /build/mopac-22.0.6+dfsg/tests and 2.453 on output line 546 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 7.634 on reference line 559 in /build/mopac-22.0.6+dfsg/tests and 7.636 on output line 546 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -6.111 on reference line 561 in /build/mopac-22.0.6+dfsg/tests and -6.113 on output line 548 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 2.644 on reference line 561 in /build/mopac-22.0.6+dfsg/tests and 2.645 on output line 548 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 8.388 on reference line 561 in /build/mopac-22.0.6+dfsg/tests and 8.39 on output line 548 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.61195 on reference line 569 in /build/mopac-22.0.6+dfsg/tests and 1.61207 on output line 556 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.38434 on reference line 574 in /build/mopac-22.0.6+dfsg/tests and 1.38454 on output line 561 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.81759 on reference line 574 in /build/mopac-22.0.6+dfsg/tests and 1.81737 on output line 561 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.57592 on reference line 575 in /build/mopac-22.0.6+dfsg/tests and 1.57578 on output line 562 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.50774 on reference line 575 in /build/mopac-22.0.6+dfsg/tests and 1.50788 on output line 562 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -6.909 on reference line 601 in /build/mopac-22.0.6+dfsg/tests and -6.91 on output line 588 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -4054.5224 on reference line 610 in /build/mopac-22.0.6+dfsg/tests and -4054.5231 on output line 597 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1748.451 on reference line 611 in /build/mopac-22.0.6+dfsg/tests and 1748.4519 on output line 598 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -391.0962 on reference line 617 in /build/mopac-22.0.6+dfsg/tests and -391.097 on output line 604 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -162.9679 on reference line 618 in /build/mopac-22.0.6+dfsg/tests and -162.968 on output line 605 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -554.0641 on reference line 620 in /build/mopac-22.0.6+dfsg/tests and -554.0649 on output line 607 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 13471.5437 on reference line 622 in /build/mopac-22.0.6+dfsg/tests and 13471.4225 on output line 609 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -27159.4273 on reference line 623 in /build/mopac-22.0.6+dfsg/tests and -27159.1898 on output line 610 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 13845.8994 on reference line 624 in /build/mopac-22.0.6+dfsg/tests and 13845.784 on output line 611 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 158.0158 on reference line 626 in /build/mopac-22.0.6+dfsg/tests and 158.0166 on output line 613 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +113/118 Test #27: erratic-1 ........................ Passed 33.08 sec 53: 53: -53: MOPAC Job: "poly_c8_mr.mop" ended normally on Jun 1, 2023, at 17:22. +53: MOPAC Job: "poly_c8_mr.mop" ended normally on Jul 5, 2024, at 01:49. 53: -114/118 Test #53: poly_c8_mr ....................... Passed 42.13 sec +114/118 Test #53: poly_c8_mr ....................... Passed 38.72 sec 1: 1: -1: MOPAC Job: "port.mop" ended normally on Jun 1, 2023, at 17:22. +1: MOPAC Job: "port.mop" ended normally on Jul 5, 2024, at 01:49. 1: 108: 108: -108: MOPAC Job: "ROOT.mop" ended normally on Jun 1, 2023, at 17:22. +108: MOPAC Job: "ROOT.mop" ended normally on Jul 5, 2024, at 01:49. 108: 108: WARNING: numerical heat mismatch between -205.75414 on reference line 100 in /build/mopac-22.0.6+dfsg/tests/keywords and -205.75541 on output line 100 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 108: WARNING: numerical mismatch between -860.87533 on reference line 100 in /build/mopac-22.0.6+dfsg/tests/keywords and -860.88062 on output line 100 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac @@ -3810,7 +3719,7 @@ 108: WARNING: numerical mismatch between 175.30693 on reference line 3300 in /build/mopac-22.0.6+dfsg/tests/keywords and 175.30219 on output line 3300 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 108: WARNING: numerical heat mismatch between -102.57995 on reference line 3940 in /build/mopac-22.0.6+dfsg/tests/keywords and -102.58117 on output line 3940 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 108: WARNING: numerical mismatch between -429.19453 on reference line 3940 in /build/mopac-22.0.6+dfsg/tests/keywords and -429.1996 on output line 3940 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -115/118 Test #108: key-ROOT ......................... Passed 47.25 sec +115/118 Test #108: key-ROOT ......................... Passed 36.66 sec 1: WARNING: numerical heat mismatch between 811.03045 on reference line 131 in /build/mopac-22.0.6+dfsg/tests and 811.02257 on output line 131 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 1: WARNING: numerical mismatch between 3393.35141 on reference line 131 in /build/mopac-22.0.6+dfsg/tests and 3393.31843 on output line 131 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 1: WARNING: numerical mismatch between 329.97461 on reference line 1012 in /build/mopac-22.0.6+dfsg/tests and 329.97486 on output line 1012 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac @@ -4083,591 +3992,591 @@ 1: WARNING: numerical mismatch between 66.33283 on reference line 39208 in /build/mopac-22.0.6+dfsg/tests and 66.32898 on output line 39205 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 1: WARNING: numerical heat mismatch between 21.24878 on reference line 39454 in /build/mopac-22.0.6+dfsg/tests and 21.2477 on output line 39451 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac 1: WARNING: numerical mismatch between 88.9049 on reference line 39454 in /build/mopac-22.0.6+dfsg/tests and 88.90037 on output line 39451 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between 207.59043 on reference line 40446 in /build/mopac-22.0.6+dfsg/tests and 207.58932 on output line 40443 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 868.55836 on reference line 40446 in /build/mopac-22.0.6+dfsg/tests and 868.55373 on output line 40443 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between 537.76466 on reference line 40740 in /build/mopac-22.0.6+dfsg/tests and 537.76366 on output line 40737 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 2250.00736 on reference line 40740 in /build/mopac-22.0.6+dfsg/tests and 2250.00315 on output line 40737 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: eigenvalue mismatch between -22.966 on reference line 40817 in /build/mopac-22.0.6+dfsg/tests and -22.967 on output line 40814 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: eigenvalue mismatch between -22.966 on reference line 40817 in /build/mopac-22.0.6+dfsg/tests and -22.967 on output line 40814 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -559.16602 on reference line 41074 in /build/mopac-22.0.6+dfsg/tests and -559.16822 on output line 41071 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -2339.55063 on reference line 41074 in /build/mopac-22.0.6+dfsg/tests and -2339.55984 on output line 41071 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -109.79143 on reference line 41524 in /build/mopac-22.0.6+dfsg/tests and -109.79234 on output line 41521 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -459.36733 on reference line 41524 in /build/mopac-22.0.6+dfsg/tests and -459.37113 on output line 41521 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -11.96069 on reference line 41844 in /build/mopac-22.0.6+dfsg/tests and -11.96101 on output line 41841 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -50.04352 on reference line 41844 in /build/mopac-22.0.6+dfsg/tests and -50.04486 on output line 41841 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 9042.21013 on reference line 42039 in /build/mopac-22.0.6+dfsg/tests and 9042.21035 on output line 42036 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -1022.81263 on reference line 42434 in /build/mopac-22.0.6+dfsg/tests and -1022.8178 on output line 42431 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -4279.44806 on reference line 42434 in /build/mopac-22.0.6+dfsg/tests and -4279.46969 on output line 42431 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between 29.26972 on reference line 43208 in /build/mopac-22.0.6+dfsg/tests and 29.26958 on output line 43205 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 122.46452 on reference line 43208 in /build/mopac-22.0.6+dfsg/tests and 122.46393 on output line 43205 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between 99.15646 on reference line 43464 in /build/mopac-22.0.6+dfsg/tests and 99.15507 on output line 43461 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 414.87061 on reference line 43464 in /build/mopac-22.0.6+dfsg/tests and 414.86482 on output line 43461 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between 814.70031 on reference line 43786 in /build/mopac-22.0.6+dfsg/tests and 814.69761 on output line 43783 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 3408.7061 on reference line 43786 in /build/mopac-22.0.6+dfsg/tests and 3408.69478 on output line 43783 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between 990.6346 on reference line 44266 in /build/mopac-22.0.6+dfsg/tests and 990.63205 on output line 44263 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 4144.81517 on reference line 44266 in /build/mopac-22.0.6+dfsg/tests and 4144.80449 on output line 44263 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between 1527.37668 on reference line 45088 in /build/mopac-22.0.6+dfsg/tests and 1527.37517 on output line 45085 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 6390.54404 on reference line 45088 in /build/mopac-22.0.6+dfsg/tests and 6390.53771 on output line 45085 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -137.48716 on reference line 46045 in /build/mopac-22.0.6+dfsg/tests and -137.48912 on output line 46042 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -575.24629 on reference line 46045 in /build/mopac-22.0.6+dfsg/tests and -575.25446 on output line 46042 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -47.10371 on reference line 46450 in /build/mopac-22.0.6+dfsg/tests and -47.10742 on output line 46447 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -197.08193 on reference line 46450 in /build/mopac-22.0.6+dfsg/tests and -197.09743 on output line 46447 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between 5.60649 on reference line 46948 in /build/mopac-22.0.6+dfsg/tests and 5.60616 on output line 46945 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 23.45757 on reference line 46948 in /build/mopac-22.0.6+dfsg/tests and 23.45618 on output line 46945 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between 42.13923 on reference line 47508 in /build/mopac-22.0.6+dfsg/tests and 42.1389 on output line 47505 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 176.31054 on reference line 47508 in /build/mopac-22.0.6+dfsg/tests and 176.30916 on output line 47505 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -33.01629 on reference line 50032 in /build/mopac-22.0.6+dfsg/tests and -33.01659 on output line 50029 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -138.14017 on reference line 50032 in /build/mopac-22.0.6+dfsg/tests and -138.14142 on output line 50029 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 228.8285 on reference line 50400 in /build/mopac-22.0.6+dfsg/tests and 228.8286 on output line 50397 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -39.83934 on reference line 51763 in /build/mopac-22.0.6+dfsg/tests and -39.83964 on output line 51760 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -166.6878 on reference line 51763 in /build/mopac-22.0.6+dfsg/tests and -166.68907 on output line 51760 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 38.9334 on reference line 51931 in /build/mopac-22.0.6+dfsg/tests and 38.9335 on output line 51928 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 349.0644 on reference line 51955 in /build/mopac-22.0.6+dfsg/tests and 349.0645 on output line 51952 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between 15.69643 on reference line 52223 in /build/mopac-22.0.6+dfsg/tests and 15.69617 on output line 52220 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 65.67386 on reference line 52223 in /build/mopac-22.0.6+dfsg/tests and 65.67278 on output line 52220 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -31.51126 on reference line 52757 in /build/mopac-22.0.6+dfsg/tests and -31.51156 on output line 52754 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -131.84309 on reference line 52757 in /build/mopac-22.0.6+dfsg/tests and -131.84438 on output line 52754 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -31.5112556589 on reference line 52873 in /build/mopac-22.0.6+dfsg/tests and -31.5115619217 on output line 52870 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 352.20919 on reference line 52979 in /build/mopac-22.0.6+dfsg/tests and 352.20934 on output line 52976 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 257.54977 on reference line 52981 in /build/mopac-22.0.6+dfsg/tests and 257.54991 on output line 52978 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 257.54652 on reference line 52983 in /build/mopac-22.0.6+dfsg/tests and 257.54666 on output line 52980 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 363.39368 on reference line 53094 in /build/mopac-22.0.6+dfsg/tests and 363.39383 on output line 53091 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 262.59038 on reference line 53096 in /build/mopac-22.0.6+dfsg/tests and 262.59052 on output line 53093 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 264.95863 on reference line 53098 in /build/mopac-22.0.6+dfsg/tests and 264.95877 on output line 53095 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 215.19577 on reference line 53104 in /build/mopac-22.0.6+dfsg/tests and 215.19588 on output line 53101 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 399.44186 on reference line 53209 in /build/mopac-22.0.6+dfsg/tests and 399.44204 on output line 53206 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 278.34549 on reference line 53211 in /build/mopac-22.0.6+dfsg/tests and 278.34563 on output line 53208 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 288.37905 on reference line 53213 in /build/mopac-22.0.6+dfsg/tests and 288.37921 on output line 53210 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 237.0732 on reference line 53219 in /build/mopac-22.0.6+dfsg/tests and 237.07332 on output line 53216 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -31.51129 on reference line 53293 in /build/mopac-22.0.6+dfsg/tests and -31.51159 on output line 53290 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -131.84322 on reference line 53293 in /build/mopac-22.0.6+dfsg/tests and -131.84451 on output line 53290 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -31.51129 on reference line 53439 in /build/mopac-22.0.6+dfsg/tests and -31.51159 on output line 53436 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -131.84322 on reference line 53439 in /build/mopac-22.0.6+dfsg/tests and -131.84451 on output line 53436 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between 234.71331 on reference line 53602 in /build/mopac-22.0.6+dfsg/tests and 234.71301 on output line 53599 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 982.04047 on reference line 53602 in /build/mopac-22.0.6+dfsg/tests and 982.03923 on output line 53599 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -11.96081 on reference line 54372 in /build/mopac-22.0.6+dfsg/tests and -11.96113 on output line 54369 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -50.04401 on reference line 54372 in /build/mopac-22.0.6+dfsg/tests and -50.04536 on output line 54369 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between 54.69048 on reference line 54568 in /build/mopac-22.0.6+dfsg/tests and 54.68965 on output line 54565 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 228.82499 on reference line 54568 in /build/mopac-22.0.6+dfsg/tests and 228.82151 on output line 54565 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between 116.22021 on reference line 54987 in /build/mopac-22.0.6+dfsg/tests and 116.21965 on output line 54984 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 486.26537 on reference line 54987 in /build/mopac-22.0.6+dfsg/tests and 486.26303 on output line 54984 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between 116.22022 on reference line 55241 in /build/mopac-22.0.6+dfsg/tests and 116.21966 on output line 55238 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 486.26538 on reference line 55241 in /build/mopac-22.0.6+dfsg/tests and 486.26304 on output line 55238 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -16.8709 on reference line 55416 in /build/mopac-22.0.6+dfsg/tests and -16.87141 on output line 55413 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -70.58785 on reference line 55416 in /build/mopac-22.0.6+dfsg/tests and -70.58998 on output line 55413 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -87.64255 on reference line 55661 in /build/mopac-22.0.6+dfsg/tests and -87.64377 on output line 55658 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -366.69643 on reference line 55661 in /build/mopac-22.0.6+dfsg/tests and -366.70155 on output line 55658 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between 234.71331 on reference line 56348 in /build/mopac-22.0.6+dfsg/tests and 234.71301 on output line 56345 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 982.04047 on reference line 56348 in /build/mopac-22.0.6+dfsg/tests and 982.03923 on output line 56345 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -32.90358 on reference line 56960 in /build/mopac-22.0.6+dfsg/tests and -32.90388 on output line 56957 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -137.66859 on reference line 56960 in /build/mopac-22.0.6+dfsg/tests and -137.66984 on output line 56957 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -32.90358 on reference line 57107 in /build/mopac-22.0.6+dfsg/tests and -32.90388 on output line 57104 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -137.66859 on reference line 57107 in /build/mopac-22.0.6+dfsg/tests and -137.66984 on output line 57104 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -17.59592 on reference line 57364 in /build/mopac-22.0.6+dfsg/tests and -17.5962 on output line 57361 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -73.62131 on reference line 57364 in /build/mopac-22.0.6+dfsg/tests and -73.62249 on output line 57361 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -111.5301 on reference line 57792 in /build/mopac-22.0.6+dfsg/tests and -111.53023 on output line 57789 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -466.64192 on reference line 57792 in /build/mopac-22.0.6+dfsg/tests and -466.64247 on output line 57789 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 215.77293 on reference line 58010 in /build/mopac-22.0.6+dfsg/tests and 215.77313 on output line 58007 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -216.020249 on reference line 58013 in /build/mopac-22.0.6+dfsg/tests and -216.020448 on output line 58010 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -291.49483 on reference line 58159 in /build/mopac-22.0.6+dfsg/tests and -291.49516 on output line 58156 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -1219.61436 on reference line 58159 in /build/mopac-22.0.6+dfsg/tests and -1219.61576 on output line 58156 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between 12.67447 on reference line 58315 in /build/mopac-22.0.6+dfsg/tests and 12.67429 on output line 58312 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 53.02998 on reference line 58315 in /build/mopac-22.0.6+dfsg/tests and 53.02921 on output line 58312 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 221.90067 on reference line 58467 in /build/mopac-22.0.6+dfsg/tests and 221.90038 on output line 58464 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -42.6276 on reference line 58612 in /build/mopac-22.0.6+dfsg/tests and -42.62776 on output line 58609 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -178.35389 on reference line 58612 in /build/mopac-22.0.6+dfsg/tests and -178.35454 on output line 58609 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -225.12659 on reference line 58770 in /build/mopac-22.0.6+dfsg/tests and -225.12696 on output line 58767 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -941.92963 on reference line 58770 in /build/mopac-22.0.6+dfsg/tests and -941.9312 on output line 58767 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between 85.90832 on reference line 58934 in /build/mopac-22.0.6+dfsg/tests and 85.90808 on output line 58931 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 359.44041 on reference line 58934 in /build/mopac-22.0.6+dfsg/tests and 359.4394 on output line 58931 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -143.27847 on reference line 59123 in /build/mopac-22.0.6+dfsg/tests and -143.27892 on output line 59120 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -599.47712 on reference line 59123 in /build/mopac-22.0.6+dfsg/tests and -599.47901 on output line 59120 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -13.02534 on reference line 59309 in /build/mopac-22.0.6+dfsg/tests and -13.02567 on output line 59306 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -54.49803 on reference line 59309 in /build/mopac-22.0.6+dfsg/tests and -54.4994 on output line 59306 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -85.0678 on reference line 59464 in /build/mopac-22.0.6+dfsg/tests and -85.06811 on output line 59461 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -355.92369 on reference line 59464 in /build/mopac-22.0.6+dfsg/tests and -355.92497 on output line 59461 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between 5797.7058 on reference line 59619 in /build/mopac-22.0.6+dfsg/tests and 5797.71069 on output line 59616 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 24257.60107 on reference line 59619 in /build/mopac-22.0.6+dfsg/tests and 24257.62151 on output line 59616 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -48.59657 on reference line 59776 in /build/mopac-22.0.6+dfsg/tests and -48.59669 on output line 59773 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -203.32806 on reference line 59776 in /build/mopac-22.0.6+dfsg/tests and -203.32856 on output line 59773 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -79.65384 on reference line 59927 in /build/mopac-22.0.6+dfsg/tests and -79.65402 on output line 59924 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -333.27168 on reference line 59927 in /build/mopac-22.0.6+dfsg/tests and -333.27241 on output line 59924 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -290.25206 on reference line 60085 in /build/mopac-22.0.6+dfsg/tests and -290.25243 on output line 60082 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -1214.41463 on reference line 60085 in /build/mopac-22.0.6+dfsg/tests and -1214.41617 on output line 60082 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -0.91545 on reference line 60242 in /build/mopac-22.0.6+dfsg/tests and -0.91559 on output line 60239 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -3.83024 on reference line 60242 in /build/mopac-22.0.6+dfsg/tests and -3.83084 on output line 60239 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 22.20609 on reference line 60389 in /build/mopac-22.0.6+dfsg/tests and 22.20582 on output line 60386 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -85.63809 on reference line 60531 in /build/mopac-22.0.6+dfsg/tests and -85.63845 on output line 60528 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -136.67095 on reference line 60674 in /build/mopac-22.0.6+dfsg/tests and -136.67134 on output line 60671 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 45.08619 on reference line 60823 in /build/mopac-22.0.6+dfsg/tests and 45.08605 on output line 60820 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between 79.67634 on reference line 60971 in /build/mopac-22.0.6+dfsg/tests and 79.67612 on output line 60968 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 333.36581 on reference line 60971 in /build/mopac-22.0.6+dfsg/tests and 333.36488 on output line 60968 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -183.069858 on reference line 61011 in /build/mopac-22.0.6+dfsg/tests and -183.070023 on output line 61008 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between 25.5819 on reference line 61151 in /build/mopac-22.0.6+dfsg/tests and 25.58162 on output line 61148 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 107.03468 on reference line 61151 in /build/mopac-22.0.6+dfsg/tests and 107.03348 on output line 61148 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between 18.31941 on reference line 61320 in /build/mopac-22.0.6+dfsg/tests and 18.31914 on output line 61317 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 76.64843 on reference line 61320 in /build/mopac-22.0.6+dfsg/tests and 76.64727 on output line 61317 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -160.68548 on reference line 61494 in /build/mopac-22.0.6+dfsg/tests and -160.68566 on output line 61491 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -672.30805 on reference line 61494 in /build/mopac-22.0.6+dfsg/tests and -672.30882 on output line 61491 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -3.07378 on reference line 61648 in /build/mopac-22.0.6+dfsg/tests and -3.07401 on output line 61645 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -12.8607 on reference line 61648 in /build/mopac-22.0.6+dfsg/tests and -12.86164 on output line 61645 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between 4009.80318 on reference line 61816 in /build/mopac-22.0.6+dfsg/tests and 4009.80638 on output line 61813 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 16777.0165 on reference line 61816 in /build/mopac-22.0.6+dfsg/tests and 16777.02989 on output line 61813 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between 0.2185 on reference line 61984 in /build/mopac-22.0.6+dfsg/tests and 0.21831 on output line 61981 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 0.9142 on reference line 61984 in /build/mopac-22.0.6+dfsg/tests and 0.9134 on output line 61981 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -147.68312 on reference line 62143 in /build/mopac-22.0.6+dfsg/tests and -147.68334 on output line 62140 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -617.90618 on reference line 62143 in /build/mopac-22.0.6+dfsg/tests and -617.90708 on output line 62140 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -72.45224 on reference line 62302 in /build/mopac-22.0.6+dfsg/tests and -72.45244 on output line 62299 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -303.14018 on reference line 62302 in /build/mopac-22.0.6+dfsg/tests and -303.14099 on output line 62299 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -38.02218 on reference line 62456 in /build/mopac-22.0.6+dfsg/tests and -38.02231 on output line 62453 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -159.08481 on reference line 62456 in /build/mopac-22.0.6+dfsg/tests and -159.08536 on output line 62453 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -390.57693 on reference line 62609 in /build/mopac-22.0.6+dfsg/tests and -390.5774 on output line 62606 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -1634.17387 on reference line 62609 in /build/mopac-22.0.6+dfsg/tests and -1634.17583 on output line 62606 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -217.2479 on reference line 62770 in /build/mopac-22.0.6+dfsg/tests and -217.24819 on output line 62767 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -908.96521 on reference line 62770 in /build/mopac-22.0.6+dfsg/tests and -908.96642 on output line 62767 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between 23.76025 on reference line 62927 in /build/mopac-22.0.6+dfsg/tests and 23.76013 on output line 62924 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 99.41288 on reference line 62927 in /build/mopac-22.0.6+dfsg/tests and 99.4124 on output line 62924 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -56.18159 on reference line 63073 in /build/mopac-22.0.6+dfsg/tests and -56.18189 on output line 63070 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between 8.19029 on reference line 63229 in /build/mopac-22.0.6+dfsg/tests and 8.18973 on output line 63226 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 34.26819 on reference line 63229 in /build/mopac-22.0.6+dfsg/tests and 34.26583 on output line 63226 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -31.5107 on reference line 63514 in /build/mopac-22.0.6+dfsg/tests and -31.51101 on output line 63511 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -131.84078 on reference line 63514 in /build/mopac-22.0.6+dfsg/tests and -131.84206 on output line 63511 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between 23.38701 on reference line 63816 in /build/mopac-22.0.6+dfsg/tests and 23.3859 on output line 63813 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 97.85123 on reference line 63816 in /build/mopac-22.0.6+dfsg/tests and 97.84662 on output line 63813 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between 23.38701 on reference line 64022 in /build/mopac-22.0.6+dfsg/tests and 23.3859 on output line 64019 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 97.85123 on reference line 64022 in /build/mopac-22.0.6+dfsg/tests and 97.84662 on output line 64019 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between 23.38701 on reference line 64411 in /build/mopac-22.0.6+dfsg/tests and 23.3859 on output line 64408 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 97.85123 on reference line 64411 in /build/mopac-22.0.6+dfsg/tests and 97.84662 on output line 64408 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -32.1065 on reference line 64672 in /build/mopac-22.0.6+dfsg/tests and -32.1068 on output line 64669 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -134.3336 on reference line 64672 in /build/mopac-22.0.6+dfsg/tests and -134.33484 on output line 64669 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -32.1064999653 on reference line 64783 in /build/mopac-22.0.6+dfsg/tests and -32.1067971986 on output line 64780 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 178.43598 on reference line 64843 in /build/mopac-22.0.6+dfsg/tests and 178.43608 on output line 64840 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 178.3729 on reference line 64845 in /build/mopac-22.0.6+dfsg/tests and 178.373 on output line 64842 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 181.23979 on reference line 64910 in /build/mopac-22.0.6+dfsg/tests and 181.23989 on output line 64907 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 182.50533 on reference line 64912 in /build/mopac-22.0.6+dfsg/tests and 182.50543 on output line 64909 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 195.35532 on reference line 64979 in /build/mopac-22.0.6+dfsg/tests and 195.35542 on output line 64976 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -44.84241 on reference line 65067 in /build/mopac-22.0.6+dfsg/tests and -44.8427 on output line 65064 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -187.62063 on reference line 65067 in /build/mopac-22.0.6+dfsg/tests and -187.62187 on output line 65064 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 61.6103 on reference line 65158 in /build/mopac-22.0.6+dfsg/tests and 61.6102 on output line 65155 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -44.8424079637 on reference line 65178 in /build/mopac-22.0.6+dfsg/tests and -44.8427028533 on output line 65175 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 65.7362 on reference line 65282 in /build/mopac-22.0.6+dfsg/tests and 65.7363 on output line 65279 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 61.6103 on reference line 65401 in /build/mopac-22.0.6+dfsg/tests and 61.6102 on output line 65398 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -44.84241 on reference line 65421 in /build/mopac-22.0.6+dfsg/tests and -44.8427 on output line 65418 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -96.02156 on reference line 65624 in /build/mopac-22.0.6+dfsg/tests and -96.02233 on output line 65621 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -401.7542 on reference line 65624 in /build/mopac-22.0.6+dfsg/tests and -401.75742 on output line 65621 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -96.0214 on reference line 65854 in /build/mopac-22.0.6+dfsg/tests and -96.02217 on output line 65851 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -401.75354 on reference line 65854 in /build/mopac-22.0.6+dfsg/tests and -401.75675 on output line 65851 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -65.45968 on reference line 66029 in /build/mopac-22.0.6+dfsg/tests and -65.45988 on output line 66026 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -273.88332 on reference line 66029 in /build/mopac-22.0.6+dfsg/tests and -273.88412 on output line 66026 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between 71.738 on reference line 66264 in /build/mopac-22.0.6+dfsg/tests and 71.73779 on output line 66261 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 300.15181 on reference line 66264 in /build/mopac-22.0.6+dfsg/tests and 300.15093 on output line 66261 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between 75.64166 on reference line 66442 in /build/mopac-22.0.6+dfsg/tests and 75.64145 on output line 66439 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 316.4847 on reference line 66442 in /build/mopac-22.0.6+dfsg/tests and 316.48382 on output line 66439 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -65.57967 on reference line 66589 in /build/mopac-22.0.6+dfsg/tests and -65.57985 on output line 66586 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -274.38534 on reference line 66589 in /build/mopac-22.0.6+dfsg/tests and -274.3861 on output line 66586 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -64.80175 on reference line 66786 in /build/mopac-22.0.6+dfsg/tests and -64.80194 on output line 66783 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -271.13052 on reference line 66786 in /build/mopac-22.0.6+dfsg/tests and -271.13132 on output line 66783 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -58.75643 on reference line 67013 in /build/mopac-22.0.6+dfsg/tests and -58.75662 on output line 67010 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -245.83692 on reference line 67013 in /build/mopac-22.0.6+dfsg/tests and -245.83769 on output line 67010 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -252.67109 on reference line 67206 in /build/mopac-22.0.6+dfsg/tests and -252.671321 on output line 67203 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -293.217556 on reference line 67207 in /build/mopac-22.0.6+dfsg/tests and -293.217872 on output line 67204 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 1337.17153 on reference line 68144 in /build/mopac-22.0.6+dfsg/tests and 1337.17137 on output line 68141 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -77.08867 on reference line 68671 in /build/mopac-22.0.6+dfsg/tests and -77.08943 on output line 68668 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -322.53898 on reference line 68671 in /build/mopac-22.0.6+dfsg/tests and -322.54216 on output line 68668 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -74.74412 on reference line 68929 in /build/mopac-22.0.6+dfsg/tests and -74.7445 on output line 68926 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -312.72941 on reference line 68929 in /build/mopac-22.0.6+dfsg/tests and -312.73099 on output line 68926 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -75.65362 on reference line 69041 in /build/mopac-22.0.6+dfsg/tests and -75.65399 on output line 69038 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -316.53473 on reference line 69041 in /build/mopac-22.0.6+dfsg/tests and -316.53631 on output line 69038 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -78.60938 on reference line 69153 in /build/mopac-22.0.6+dfsg/tests and -78.60976 on output line 69150 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -328.90163 on reference line 69153 in /build/mopac-22.0.6+dfsg/tests and -328.90322 on output line 69150 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -80.71173 on reference line 69382 in /build/mopac-22.0.6+dfsg/tests and -80.71211 on output line 69379 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -337.69789 on reference line 69382 in /build/mopac-22.0.6+dfsg/tests and -337.69948 on output line 69379 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -82.12125 on reference line 69495 in /build/mopac-22.0.6+dfsg/tests and -82.12163 on output line 69492 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -343.59531 on reference line 69495 in /build/mopac-22.0.6+dfsg/tests and -343.59691 on output line 69492 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -80.2135 on reference line 69608 in /build/mopac-22.0.6+dfsg/tests and -80.21388 on output line 69605 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -335.61327 on reference line 69608 in /build/mopac-22.0.6+dfsg/tests and -335.61486 on output line 69605 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -74.74413 on reference line 69923 in /build/mopac-22.0.6+dfsg/tests and -74.74451 on output line 69920 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -312.72944 on reference line 69923 in /build/mopac-22.0.6+dfsg/tests and -312.73102 on output line 69920 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -75.65362 on reference line 70035 in /build/mopac-22.0.6+dfsg/tests and -75.654 on output line 70032 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -316.53476 on reference line 70035 in /build/mopac-22.0.6+dfsg/tests and -316.53634 on output line 70032 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -78.60939 on reference line 70147 in /build/mopac-22.0.6+dfsg/tests and -78.60977 on output line 70144 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -328.90167 on reference line 70147 in /build/mopac-22.0.6+dfsg/tests and -328.90326 on output line 70144 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -80.71174 on reference line 70259 in /build/mopac-22.0.6+dfsg/tests and -80.71212 on output line 70256 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -337.69791 on reference line 70259 in /build/mopac-22.0.6+dfsg/tests and -337.6995 on output line 70256 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -82.12125 on reference line 70372 in /build/mopac-22.0.6+dfsg/tests and -82.12164 on output line 70369 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -343.59533 on reference line 70372 in /build/mopac-22.0.6+dfsg/tests and -343.59693 on output line 70369 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -80.2135 on reference line 70485 in /build/mopac-22.0.6+dfsg/tests and -80.21388 on output line 70482 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -335.61329 on reference line 70485 in /build/mopac-22.0.6+dfsg/tests and -335.61488 on output line 70482 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -0.46505 on reference line 72412 in /build/mopac-22.0.6+dfsg/tests and -0.46527 on output line 72409 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -1.94578 on reference line 72412 in /build/mopac-22.0.6+dfsg/tests and -1.94669 on output line 72409 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between 1433.83917 on reference line 72712 in /build/mopac-22.0.6+dfsg/tests and 1433.83758 on output line 72706 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 5999.18311 on reference line 72712 in /build/mopac-22.0.6+dfsg/tests and 5999.17644 on output line 72706 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 378.82 on reference line 72716 in /build/mopac-22.0.6+dfsg/tests and 378.83 on output line 72710 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -15.17849 on reference line 73132 in /build/mopac-22.0.6+dfsg/tests and -15.17881 on output line 73126 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -63.50678 on reference line 73132 in /build/mopac-22.0.6+dfsg/tests and -63.50815 on output line 73126 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between 121.7783 on reference line 73304 in /build/mopac-22.0.6+dfsg/tests and 121.77813 on output line 73298 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 509.52042 on reference line 73304 in /build/mopac-22.0.6+dfsg/tests and 509.51968 on output line 73298 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -3.07367 on reference line 73450 in /build/mopac-22.0.6+dfsg/tests and -3.07389 on output line 73444 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -12.86023 on reference line 73450 in /build/mopac-22.0.6+dfsg/tests and -12.86117 on output line 73444 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -3.07367 on reference line 73595 in /build/mopac-22.0.6+dfsg/tests and -3.07389 on output line 73589 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -12.86023 on reference line 73595 in /build/mopac-22.0.6+dfsg/tests and -12.86117 on output line 73589 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -25.181725 on reference line 73769 in /build/mopac-22.0.6+dfsg/tests and -25.18202 on output line 73763 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -25.18129 on reference line 73851 in /build/mopac-22.0.6+dfsg/tests and -25.18158 on output line 73845 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -105.3585 on reference line 73851 in /build/mopac-22.0.6+dfsg/tests and -105.35973 on output line 73845 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -25.54307 on reference line 74040 in /build/mopac-22.0.6+dfsg/tests and -25.54337 on output line 74034 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -106.8722 on reference line 74040 in /build/mopac-22.0.6+dfsg/tests and -106.87344 on output line 74034 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -85.71375 on reference line 74194 in /build/mopac-22.0.6+dfsg/tests and -85.7141 on output line 74188 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -25.54229 on reference line 76078 in /build/mopac-22.0.6+dfsg/tests and -25.54259 on output line 76072 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -106.86895 on reference line 76078 in /build/mopac-22.0.6+dfsg/tests and -106.87019 on output line 76072 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -25.54287 on reference line 76355 in /build/mopac-22.0.6+dfsg/tests and -25.54317 on output line 76349 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -106.87138 on reference line 76355 in /build/mopac-22.0.6+dfsg/tests and -106.87263 on output line 76349 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 386.13366 on reference line 77283 in /build/mopac-22.0.6+dfsg/tests and 386.1334 on output line 77277 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 432.24037 on reference line 83576 in /build/mopac-22.0.6+dfsg/tests and 432.24017 on output line 83570 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -34.16298 on reference line 83760 in /build/mopac-22.0.6+dfsg/tests and -34.1631 on output line 83754 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -142.93791 on reference line 83760 in /build/mopac-22.0.6+dfsg/tests and -142.9384 on output line 83754 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -34.16298 on reference line 83906 in /build/mopac-22.0.6+dfsg/tests and -34.1631 on output line 83900 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -142.93791 on reference line 83906 in /build/mopac-22.0.6+dfsg/tests and -142.9384 on output line 83900 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between 36.18031 on reference line 84096 in /build/mopac-22.0.6+dfsg/tests and 36.1795 on output line 84090 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 151.3784 on reference line 84096 in /build/mopac-22.0.6+dfsg/tests and 151.37504 on output line 84090 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -46.64361 on reference line 84264 in /build/mopac-22.0.6+dfsg/tests and -46.64392 on output line 84258 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -1177.10737 on reference line 84422 in /build/mopac-22.0.6+dfsg/tests and -1177.10772 on output line 84416 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -46.64361 on reference line 84505 in /build/mopac-22.0.6+dfsg/tests and -46.64392 on output line 84499 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -46.64361 on reference line 84733 in /build/mopac-22.0.6+dfsg/tests and -46.64392 on output line 84727 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -46.64361 on reference line 84957 in /build/mopac-22.0.6+dfsg/tests and -46.64392 on output line 84951 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 67.8695 on reference line 85163 in /build/mopac-22.0.6+dfsg/tests and 67.8696 on output line 85157 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 67.8695 on reference line 85169 in /build/mopac-22.0.6+dfsg/tests and 67.8696 on output line 85163 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -46.64361 on reference line 85241 in /build/mopac-22.0.6+dfsg/tests and -46.64392 on output line 85235 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -1102.6257 on reference line 85487 in /build/mopac-22.0.6+dfsg/tests and -1102.6261 on output line 85481 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -46.64361 on reference line 85576 in /build/mopac-22.0.6+dfsg/tests and -46.64392 on output line 85570 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -1079.3868 on reference line 85800 in /build/mopac-22.0.6+dfsg/tests and -1079.3871 on output line 85794 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -46.64361 on reference line 85889 in /build/mopac-22.0.6+dfsg/tests and -46.64392 on output line 85883 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -1060.8931 on reference line 86124 in /build/mopac-22.0.6+dfsg/tests and -1060.8934 on output line 86118 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between 28.74602 on reference line 86221 in /build/mopac-22.0.6+dfsg/tests and 28.74577 on output line 86215 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 120.27334 on reference line 86221 in /build/mopac-22.0.6+dfsg/tests and 120.27231 on output line 86215 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 28.7460176452 on reference line 86332 in /build/mopac-22.0.6+dfsg/tests and 28.7457715061 on output line 86326 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 630.6735 on reference line 86393 in /build/mopac-22.0.6+dfsg/tests and 630.67372 on output line 86387 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 630.67111 on reference line 86395 in /build/mopac-22.0.6+dfsg/tests and 630.67133 on output line 86389 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 630.66713 on reference line 86396 in /build/mopac-22.0.6+dfsg/tests and 630.66735 on output line 86390 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 630.66788 on reference line 86397 in /build/mopac-22.0.6+dfsg/tests and 630.6681 on output line 86391 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 499.5694 on reference line 86400 in /build/mopac-22.0.6+dfsg/tests and 499.56958 on output line 86394 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 745.31228 on reference line 86460 in /build/mopac-22.0.6+dfsg/tests and 745.31255 on output line 86454 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 745.3347 on reference line 86462 in /build/mopac-22.0.6+dfsg/tests and 745.33497 on output line 86456 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 767.07302 on reference line 86463 in /build/mopac-22.0.6+dfsg/tests and 767.0733 on output line 86457 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 767.07246 on reference line 86464 in /build/mopac-22.0.6+dfsg/tests and 767.07274 on output line 86458 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 600.09712 on reference line 86467 in /build/mopac-22.0.6+dfsg/tests and 600.09734 on output line 86461 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 302.25107 on reference line 86467 in /build/mopac-22.0.6+dfsg/tests and 302.25118 on output line 86461 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 1559.58935 on reference line 86527 in /build/mopac-22.0.6+dfsg/tests and 1559.59008 on output line 86521 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 1559.60551 on reference line 86529 in /build/mopac-22.0.6+dfsg/tests and 1559.60624 on output line 86523 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 1740.28267 on reference line 86530 in /build/mopac-22.0.6+dfsg/tests and 1740.28349 on output line 86524 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 1740.29828 on reference line 86531 in /build/mopac-22.0.6+dfsg/tests and 1740.2991 on output line 86525 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 1315.43898 on reference line 86534 in /build/mopac-22.0.6+dfsg/tests and 1315.4396 on output line 86528 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 662.54749 on reference line 86534 in /build/mopac-22.0.6+dfsg/tests and 662.5478 on output line 86528 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -25.54287 on reference line 86635 in /build/mopac-22.0.6+dfsg/tests and -25.54317 on output line 86629 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -106.87137 on reference line 86635 in /build/mopac-22.0.6+dfsg/tests and -106.87261 on output line 86629 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -25.5428693935 on reference line 86747 in /build/mopac-22.0.6+dfsg/tests and -25.543166148 on output line 86741 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -620.31881 on reference line 86804 in /build/mopac-22.0.6+dfsg/tests and -620.31918 on output line 86798 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 196.54172 on reference line 86805 in /build/mopac-22.0.6+dfsg/tests and 196.54182 on output line 86799 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 190.85548 on reference line 86807 in /build/mopac-22.0.6+dfsg/tests and 190.85559 on output line 86801 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 190.84157 on reference line 86809 in /build/mopac-22.0.6+dfsg/tests and 190.84167 on output line 86803 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -64.4172 on reference line 86845 in /build/mopac-22.0.6+dfsg/tests and -64.4173 on output line 86839 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 64.4172 on reference line 86851 in /build/mopac-22.0.6+dfsg/tests and 64.4173 on output line 86845 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -739.94796 on reference line 86871 in /build/mopac-22.0.6+dfsg/tests and -739.94843 on output line 86865 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 300.64801 on reference line 86872 in /build/mopac-22.0.6+dfsg/tests and 300.64817 on output line 86866 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 217.94304 on reference line 86874 in /build/mopac-22.0.6+dfsg/tests and 217.94315 on output line 86868 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 279.32162 on reference line 86876 in /build/mopac-22.0.6+dfsg/tests and 279.32177 on output line 86870 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 248.0712 on reference line 86877 in /build/mopac-22.0.6+dfsg/tests and 248.0713 on output line 86871 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -35.54846 on reference line 86964 in /build/mopac-22.0.6+dfsg/tests and -35.54888 on output line 86958 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -8.4962866515 on reference line 87034 in /build/mopac-22.0.6+dfsg/tests and -8.4963871778 on output line 87028 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -1524.49937 on reference line 87091 in /build/mopac-22.0.6+dfsg/tests and -1524.50135 on output line 87085 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -309.72173 on reference line 87102 in /build/mopac-22.0.6+dfsg/tests and -309.72213 on output line 87096 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -155.99762 on reference line 87102 in /build/mopac-22.0.6+dfsg/tests and -155.99783 on output line 87096 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -24.93412 on reference line 87177 in /build/mopac-22.0.6+dfsg/tests and -24.93442 on output line 87171 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -104.32437 on reference line 87177 in /build/mopac-22.0.6+dfsg/tests and -104.32562 on output line 87171 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -24.9341231845 on reference line 87288 in /build/mopac-22.0.6+dfsg/tests and -24.9344204469 on output line 87282 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -614.89636 on reference line 87345 in /build/mopac-22.0.6+dfsg/tests and -614.89662 on output line 87339 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 193.5079 on reference line 87348 in /build/mopac-22.0.6+dfsg/tests and 193.50801 on output line 87342 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 193.54813 on reference line 87350 in /build/mopac-22.0.6+dfsg/tests and 193.54824 on output line 87344 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -621.64876 on reference line 87412 in /build/mopac-22.0.6+dfsg/tests and -621.64902 on output line 87406 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 195.34502 on reference line 87415 in /build/mopac-22.0.6+dfsg/tests and 195.34513 on output line 87409 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 197.86467 on reference line 87417 in /build/mopac-22.0.6+dfsg/tests and 197.86478 on output line 87411 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -640.49482 on reference line 87479 in /build/mopac-22.0.6+dfsg/tests and -640.49508 on output line 87473 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 201.22479 on reference line 87482 in /build/mopac-22.0.6+dfsg/tests and 201.2249 on output line 87476 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 212.14809 on reference line 87484 in /build/mopac-22.0.6+dfsg/tests and 212.14821 on output line 87478 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -24.93412 on reference line 87565 in /build/mopac-22.0.6+dfsg/tests and -24.93442 on output line 87559 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -104.32437 on reference line 87565 in /build/mopac-22.0.6+dfsg/tests and -104.32562 on output line 87559 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -24.9341231845 on reference line 87676 in /build/mopac-22.0.6+dfsg/tests and -24.9344204469 on output line 87670 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -24.93412 on reference line 88045 in /build/mopac-22.0.6+dfsg/tests and -24.93442 on output line 88039 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -104.32437 on reference line 88045 in /build/mopac-22.0.6+dfsg/tests and -104.32562 on output line 88039 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -24.9341231845 on reference line 88156 in /build/mopac-22.0.6+dfsg/tests and -24.9344204469 on output line 88150 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -6.38244 on reference line 89483 in /build/mopac-22.0.6+dfsg/tests and -6.38267 on output line 89471 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -26.70415 on reference line 89483 in /build/mopac-22.0.6+dfsg/tests and -26.70507 on output line 89471 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -32.01058 on reference line 90063 in /build/mopac-22.0.6+dfsg/tests and -32.0107 on output line 90051 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -133.93228 on reference line 90063 in /build/mopac-22.0.6+dfsg/tests and -133.93276 on output line 90051 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -32.90361 on reference line 90269 in /build/mopac-22.0.6+dfsg/tests and -32.90391 on output line 90257 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -137.6687 on reference line 90269 in /build/mopac-22.0.6+dfsg/tests and -137.66995 on output line 90257 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between 22.95662 on reference line 90813 in /build/mopac-22.0.6+dfsg/tests and 22.95553 on output line 90801 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 96.05048 on reference line 90813 in /build/mopac-22.0.6+dfsg/tests and 96.04592 on output line 90801 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between 34.16146 on reference line 90996 in /build/mopac-22.0.6+dfsg/tests and 34.16123 on output line 90984 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 142.93156 on reference line 90996 in /build/mopac-22.0.6+dfsg/tests and 142.93057 on output line 90984 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 816.72111 on reference line 91162 in /build/mopac-22.0.6+dfsg/tests and 816.72081 on output line 91150 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between 164.35977 on reference line 91362 in /build/mopac-22.0.6+dfsg/tests and 164.35844 on output line 91350 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 687.68126 on reference line 91362 in /build/mopac-22.0.6+dfsg/tests and 687.67571 on output line 91350 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -31.10392 on reference line 92337 in /build/mopac-22.0.6+dfsg/tests and -31.10533 on output line 92325 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -130.13879 on reference line 92337 in /build/mopac-22.0.6+dfsg/tests and -130.1447 on output line 92325 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -0.116261 on reference line 92367 in /build/mopac-22.0.6+dfsg/tests and -0.116409 on output line 92355 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -0.046526 on reference line 92369 in /build/mopac-22.0.6+dfsg/tests and -0.046628 on output line 92357 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -0.067383 on reference line 92371 in /build/mopac-22.0.6+dfsg/tests and -0.067486 on output line 92359 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -231.074373 on reference line 92705 in /build/mopac-22.0.6+dfsg/tests and -231.080151 on output line 92693 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 113.9679215 on reference line 92711 in /build/mopac-22.0.6+dfsg/tests and 113.9676561 on output line 92699 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 118.6527059 on reference line 92721 in /build/mopac-22.0.6+dfsg/tests and 118.6523679 on output line 92709 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -30.4568978 on reference line 92721 in /build/mopac-22.0.6+dfsg/tests and -30.4565967 on output line 92709 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 120.7216214 on reference line 92722 in /build/mopac-22.0.6+dfsg/tests and 120.7219537 on output line 92710 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 178.4007303 on reference line 92722 in /build/mopac-22.0.6+dfsg/tests and 178.4008913 on output line 92710 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 108.4169811 on reference line 92723 in /build/mopac-22.0.6+dfsg/tests and 108.4167696 on output line 92711 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -128.9854673 on reference line 92723 in /build/mopac-22.0.6+dfsg/tests and -128.9851269 on output line 92711 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 118.8536562 on reference line 92741 in /build/mopac-22.0.6+dfsg/tests and 118.8538052 on output line 92729 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 152.7301233 on reference line 92741 in /build/mopac-22.0.6+dfsg/tests and 152.7304737 on output line 92729 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 122.1099342 on reference line 92742 in /build/mopac-22.0.6+dfsg/tests and 122.109752 on output line 92730 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 173.0646035 on reference line 92742 in /build/mopac-22.0.6+dfsg/tests and 173.0650237 on output line 92730 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 106.2444503 on reference line 92743 in /build/mopac-22.0.6+dfsg/tests and 106.2447519 on output line 92731 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -98.165963 on reference line 92743 in /build/mopac-22.0.6+dfsg/tests and -98.1656075 on output line 92731 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 121.1907847 on reference line 92757 in /build/mopac-22.0.6+dfsg/tests and 121.1903543 on output line 92745 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 119.8782484 on reference line 92758 in /build/mopac-22.0.6+dfsg/tests and 119.8789173 on output line 92746 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 116.0315382 on reference line 92759 in /build/mopac-22.0.6+dfsg/tests and 116.0316618 on output line 92747 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -90.5276138 on reference line 92759 in /build/mopac-22.0.6+dfsg/tests and -90.5277204 on output line 92747 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 106.8783553 on reference line 92761 in /build/mopac-22.0.6+dfsg/tests and 106.8781605 on output line 92749 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 122.259133 on reference line 92763 in /build/mopac-22.0.6+dfsg/tests and 122.2592577 on output line 92751 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 108.4977582 on reference line 92764 in /build/mopac-22.0.6+dfsg/tests and 108.4979202 on output line 92752 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 156.127084 on reference line 92771 in /build/mopac-22.0.6+dfsg/tests and 156.1269763 on output line 92759 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 176.3167381 on reference line 92772 in /build/mopac-22.0.6+dfsg/tests and 176.3165756 on output line 92760 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -119.008037 on reference line 92939 in /build/mopac-22.0.6+dfsg/tests and -119.01108 on output line 92927 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between 206.57311 on reference line 93080 in /build/mopac-22.0.6+dfsg/tests and 206.5713 on output line 93068 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 864.30189 on reference line 93080 in /build/mopac-22.0.6+dfsg/tests and 864.29432 on output line 93068 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between 214.47567 on reference line 93400 in /build/mopac-22.0.6+dfsg/tests and 214.47535 on output line 93388 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 897.36619 on reference line 93400 in /build/mopac-22.0.6+dfsg/tests and 897.36486 on output line 93388 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -503.96574 on reference line 93578 in /build/mopac-22.0.6+dfsg/tests and -503.96628 on output line 93566 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -2108.59267 on reference line 93578 in /build/mopac-22.0.6+dfsg/tests and -2108.5949 on output line 93566 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -46.98548 on reference line 93788 in /build/mopac-22.0.6+dfsg/tests and -46.98673 on output line 93776 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -196.58725 on reference line 93788 in /build/mopac-22.0.6+dfsg/tests and -196.5925 on output line 93776 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -123.41077 on reference line 95955 in /build/mopac-22.0.6+dfsg/tests and -123.41207 on output line 95945 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -516.35065 on reference line 95955 in /build/mopac-22.0.6+dfsg/tests and -516.35612 on output line 95945 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -5.542 on reference line 95999 in /build/mopac-22.0.6+dfsg/tests and -5.543 on output line 95989 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -37.31616 on reference line 96409 in /build/mopac-22.0.6+dfsg/tests and -37.31279 on output line 96399 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -156.13082 on reference line 96409 in /build/mopac-22.0.6+dfsg/tests and -156.1167 on output line 96399 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 60.65 on reference line 96410 in /build/mopac-22.0.6+dfsg/tests and 60.86 on output line 96400 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -0.24505 on reference line 96413 in /build/mopac-22.0.6+dfsg/tests and -0.24487 on output line 96404 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 60.65 on reference line 96414 in /build/mopac-22.0.6+dfsg/tests and 60.86 on output line 96405 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 42.57 on reference line 96415 in /build/mopac-22.0.6+dfsg/tests and 42.68 on output line 96406 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -0.334 on reference line 96449 in /build/mopac-22.0.6+dfsg/tests and -0.33 on output line 96440 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 0.097 on reference line 96450 in /build/mopac-22.0.6+dfsg/tests and 0.095 on output line 96441 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 0.193 on reference line 96450 in /build/mopac-22.0.6+dfsg/tests and 0.192 on output line 96441 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 0.342748 on reference line 96480 in /build/mopac-22.0.6+dfsg/tests and 0.342639 on output line 96471 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -337.57416 on reference line 96658 in /build/mopac-22.0.6+dfsg/tests and -337.57764 on output line 96649 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -1412.4103 on reference line 96658 in /build/mopac-22.0.6+dfsg/tests and -1412.42486 on output line 96649 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between 20.65492 on reference line 97012 in /build/mopac-22.0.6+dfsg/tests and 20.65261 on output line 97003 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 86.4202 on reference line 97012 in /build/mopac-22.0.6+dfsg/tests and 86.4105 on output line 97003 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between 18.83955 on reference line 97272 in /build/mopac-22.0.6+dfsg/tests and 18.839 on output line 97263 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 78.82469 on reference line 97272 in /build/mopac-22.0.6+dfsg/tests and 78.82237 on output line 97263 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between 18.80249 on reference line 97443 in /build/mopac-22.0.6+dfsg/tests and 18.80193 on output line 97434 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 78.66961 on reference line 97443 in /build/mopac-22.0.6+dfsg/tests and 78.66729 on output line 97434 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between 763.46527 on reference line 97656 in /build/mopac-22.0.6+dfsg/tests and 763.46456 on output line 97647 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 3194.33869 on reference line 97656 in /build/mopac-22.0.6+dfsg/tests and 3194.33573 on output line 97647 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between 194.59205 on reference line 97987 in /build/mopac-22.0.6+dfsg/tests and 194.58646 on output line 97978 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 814.17315 on reference line 97987 in /build/mopac-22.0.6+dfsg/tests and 814.14976 on output line 97978 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between 134.49501 on reference line 98461 in /build/mopac-22.0.6+dfsg/tests and 134.48987 on output line 98452 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 562.72713 on reference line 98461 in /build/mopac-22.0.6+dfsg/tests and 562.70561 on output line 98452 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between 129.6887 on reference line 98903 in /build/mopac-22.0.6+dfsg/tests and 129.69101 on output line 98894 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 542.61753 on reference line 98903 in /build/mopac-22.0.6+dfsg/tests and 542.62719 on output line 98894 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -0.229823 on reference line 99023 in /build/mopac-22.0.6+dfsg/tests and -0.229332 on output line 99014 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 4.2298 on reference line 99023 in /build/mopac-22.0.6+dfsg/tests and 4.2293 on output line 99014 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 3.19148 on reference line 99023 in /build/mopac-22.0.6+dfsg/tests and 3.19105 on output line 99014 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 0.008884 on reference line 99024 in /build/mopac-22.0.6+dfsg/tests and 0.008387 on output line 99015 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 3.9911 on reference line 99024 in /build/mopac-22.0.6+dfsg/tests and 3.9916 on output line 99015 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 1.07956 on reference line 99024 in /build/mopac-22.0.6+dfsg/tests and 1.07936 on output line 99015 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 2.91155 on reference line 99024 in /build/mopac-22.0.6+dfsg/tests and 2.91226 on output line 99015 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -0.10486 on reference line 99025 in /build/mopac-22.0.6+dfsg/tests and -0.104963 on output line 99016 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 7.1049 on reference line 99025 in /build/mopac-22.0.6+dfsg/tests and 7.105 on output line 99016 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -0.171858 on reference line 99026 in /build/mopac-22.0.6+dfsg/tests and -0.171506 on output line 99017 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 4.1719 on reference line 99026 in /build/mopac-22.0.6+dfsg/tests and 4.1715 on output line 99017 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 3.10693 on reference line 99026 in /build/mopac-22.0.6+dfsg/tests and 3.10649 on output line 99017 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 0.050631 on reference line 99027 in /build/mopac-22.0.6+dfsg/tests and 0.051836 on output line 99018 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 3.9494 on reference line 99027 in /build/mopac-22.0.6+dfsg/tests and 3.9482 on output line 99018 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 1.04344 on reference line 99027 in /build/mopac-22.0.6+dfsg/tests and 1.04374 on output line 99018 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 2.90593 on reference line 99027 in /build/mopac-22.0.6+dfsg/tests and 2.90443 on output line 99018 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 0.108686 on reference line 99028 in /build/mopac-22.0.6+dfsg/tests and 0.10947 on output line 99019 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 3.8913 on reference line 99028 in /build/mopac-22.0.6+dfsg/tests and 3.8905 on output line 99019 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 2.84375 on reference line 99028 in /build/mopac-22.0.6+dfsg/tests and 2.84289 on output line 99019 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -0.069249 on reference line 99029 in /build/mopac-22.0.6+dfsg/tests and -0.071262 on output line 99020 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 4.0692 on reference line 99029 in /build/mopac-22.0.6+dfsg/tests and 4.0713 on output line 99020 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 1.07559 on reference line 99029 in /build/mopac-22.0.6+dfsg/tests and 1.07533 on output line 99020 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 2.99366 on reference line 99029 in /build/mopac-22.0.6+dfsg/tests and 2.99594 on output line 99020 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 0.481911 on reference line 99030 in /build/mopac-22.0.6+dfsg/tests and 0.482182 on output line 99021 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 3.5181 on reference line 99030 in /build/mopac-22.0.6+dfsg/tests and 3.5178 on output line 99021 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 2.45305 on reference line 99030 in /build/mopac-22.0.6+dfsg/tests and 2.4527 on output line 99021 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -0.482206 on reference line 99031 in /build/mopac-22.0.6+dfsg/tests and -0.482453 on output line 99022 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 5.4822 on reference line 99031 in /build/mopac-22.0.6+dfsg/tests and 5.4825 on output line 99022 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 3.99276 on reference line 99031 in /build/mopac-22.0.6+dfsg/tests and 3.99297 on output line 99022 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -0.482972 on reference line 99032 in /build/mopac-22.0.6+dfsg/tests and -0.482586 on output line 99023 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 5.483 on reference line 99032 in /build/mopac-22.0.6+dfsg/tests and 5.4826 on output line 99023 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 3.99303 on reference line 99032 in /build/mopac-22.0.6+dfsg/tests and 3.99265 on output line 99023 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -0.389702 on reference line 99033 in /build/mopac-22.0.6+dfsg/tests and -0.390604 on output line 99024 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 5.3897 on reference line 99033 in /build/mopac-22.0.6+dfsg/tests and 5.3906 on output line 99024 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 3.87011 on reference line 99033 in /build/mopac-22.0.6+dfsg/tests and 3.87095 on output line 99024 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -0.373957 on reference line 99034 in /build/mopac-22.0.6+dfsg/tests and -0.374458 on output line 99025 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 5.374 on reference line 99034 in /build/mopac-22.0.6+dfsg/tests and 5.3745 on output line 99025 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 3.63099 on reference line 99034 in /build/mopac-22.0.6+dfsg/tests and 3.63147 on output line 99025 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 0.426562 on reference line 99035 in /build/mopac-22.0.6+dfsg/tests and 0.426977 on output line 99026 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 3.5734 on reference line 99035 in /build/mopac-22.0.6+dfsg/tests and 3.573 on output line 99026 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 2.48661 on reference line 99035 in /build/mopac-22.0.6+dfsg/tests and 2.48615 on output line 99026 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -0.314501 on reference line 99036 in /build/mopac-22.0.6+dfsg/tests and -0.314382 on output line 99027 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 3.27639 on reference line 99036 in /build/mopac-22.0.6+dfsg/tests and 3.27623 on output line 99027 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -0.046333 on reference line 99037 in /build/mopac-22.0.6+dfsg/tests and -0.046467 on output line 99028 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 4.0463 on reference line 99037 in /build/mopac-22.0.6+dfsg/tests and 4.0465 on output line 99028 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 2.96983 on reference line 99037 in /build/mopac-22.0.6+dfsg/tests and 2.96997 on output line 99028 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -0.30898 on reference line 99038 in /build/mopac-22.0.6+dfsg/tests and -0.308858 on output line 99029 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 3.25297 on reference line 99038 in /build/mopac-22.0.6+dfsg/tests and 3.25283 on output line 99029 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -0.193265 on reference line 99040 in /build/mopac-22.0.6+dfsg/tests and -0.193147 on output line 99031 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 4.1933 on reference line 99040 in /build/mopac-22.0.6+dfsg/tests and 4.1931 on output line 99031 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 3.12994 on reference line 99040 in /build/mopac-22.0.6+dfsg/tests and 3.12981 on output line 99031 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 3.562 on reference line 99041 in /build/mopac-22.0.6+dfsg/tests and 3.5621 on output line 99032 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -0.643517 on reference line 99042 in /build/mopac-22.0.6+dfsg/tests and -0.643353 on output line 99033 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 6.6435 on reference line 99042 in /build/mopac-22.0.6+dfsg/tests and 6.6434 on output line 99033 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 4.71092 on reference line 99042 in /build/mopac-22.0.6+dfsg/tests and 4.71075 on output line 99033 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 3.9267 on reference line 99043 in /build/mopac-22.0.6+dfsg/tests and 3.9268 on output line 99034 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 0.339838 on reference line 99052 in /build/mopac-22.0.6+dfsg/tests and 0.33971 on output line 99043 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 0.66016 on reference line 99052 in /build/mopac-22.0.6+dfsg/tests and 0.66029 on output line 99043 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 0.8604 on reference line 99057 in /build/mopac-22.0.6+dfsg/tests and 0.8603 on output line 99048 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 1.13 on reference line 99065 in /build/mopac-22.0.6+dfsg/tests and 1.134 on output line 99056 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 23.622 on reference line 99065 in /build/mopac-22.0.6+dfsg/tests and 23.611 on output line 99056 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -4.024 on reference line 99065 in /build/mopac-22.0.6+dfsg/tests and -4.018 on output line 99056 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 23.989 on reference line 99065 in /build/mopac-22.0.6+dfsg/tests and 23.977 on output line 99056 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 0.724 on reference line 99066 in /build/mopac-22.0.6+dfsg/tests and 0.727 on output line 99057 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -0.007 on reference line 99066 in /build/mopac-22.0.6+dfsg/tests and -0.03 on output line 99057 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 1.932 on reference line 99066 in /build/mopac-22.0.6+dfsg/tests and 1.933 on output line 99057 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 1.853 on reference line 99067 in /build/mopac-22.0.6+dfsg/tests and 1.862 on output line 99058 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 25.413 on reference line 99067 in /build/mopac-22.0.6+dfsg/tests and 25.402 on output line 99058 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -4.031 on reference line 99067 in /build/mopac-22.0.6+dfsg/tests and -4.048 on output line 99058 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 25.798 on reference line 99067 in /build/mopac-22.0.6+dfsg/tests and 25.79 on output line 99058 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 0.98119 on reference line 99073 in /build/mopac-22.0.6+dfsg/tests and 0.981 on output line 99064 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 1.27532 on reference line 99073 in /build/mopac-22.0.6+dfsg/tests and 1.27516 on output line 99064 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 1.07956 on reference line 99074 in /build/mopac-22.0.6+dfsg/tests and 1.07936 on output line 99065 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 1.09276 on reference line 99074 in /build/mopac-22.0.6+dfsg/tests and 1.09351 on output line 99065 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 1.78301 on reference line 99075 in /build/mopac-22.0.6+dfsg/tests and 1.78357 on output line 99066 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 1.35881 on reference line 99075 in /build/mopac-22.0.6+dfsg/tests and 1.35817 on output line 99066 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 1.97289 on reference line 99075 in /build/mopac-22.0.6+dfsg/tests and 1.97305 on output line 99066 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 1.04961 on reference line 99076 in /build/mopac-22.0.6+dfsg/tests and 1.04901 on output line 99067 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 1.04344 on reference line 99077 in /build/mopac-22.0.6+dfsg/tests and 1.04374 on output line 99068 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 1.00674 on reference line 99077 in /build/mopac-22.0.6+dfsg/tests and 1.00699 on output line 99068 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 1.03871 on reference line 99077 in /build/mopac-22.0.6+dfsg/tests and 1.03693 on output line 99068 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 0.91733 on reference line 99078 in /build/mopac-22.0.6+dfsg/tests and 0.91705 on output line 99069 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 0.99842 on reference line 99078 in /build/mopac-22.0.6+dfsg/tests and 0.99784 on output line 99069 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 1.07559 on reference line 99079 in /build/mopac-22.0.6+dfsg/tests and 1.07533 on output line 99070 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 0.94902 on reference line 99079 in /build/mopac-22.0.6+dfsg/tests and 0.94887 on output line 99070 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 0.95977 on reference line 99079 in /build/mopac-22.0.6+dfsg/tests and 0.96211 on output line 99070 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 0.79474 on reference line 99080 in /build/mopac-22.0.6+dfsg/tests and 0.79459 on output line 99071 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 0.76485 on reference line 99080 in /build/mopac-22.0.6+dfsg/tests and 0.7647 on output line 99071 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 1.3943 on reference line 99082 in /build/mopac-22.0.6+dfsg/tests and 1.39406 on output line 99073 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 1.57969 on reference line 99083 in /build/mopac-22.0.6+dfsg/tests and 1.58049 on output line 99074 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 1.34035 on reference line 99084 in /build/mopac-22.0.6+dfsg/tests and 1.34022 on output line 99075 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 1.25539 on reference line 99084 in /build/mopac-22.0.6+dfsg/tests and 1.25596 on output line 99075 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 0.82556 on reference line 99085 in /build/mopac-22.0.6+dfsg/tests and 0.82521 on output line 99076 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 1.21579 on reference line 99086 in /build/mopac-22.0.6+dfsg/tests and 1.21566 on output line 99077 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 1.45748 on reference line 99092 in /build/mopac-22.0.6+dfsg/tests and 1.45736 on output line 99083 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 0.66016 on reference line 99102 in /build/mopac-22.0.6+dfsg/tests and 0.66029 on output line 99093 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between 337.67561 on reference line 99278 in /build/mopac-22.0.6+dfsg/tests and 337.67158 on output line 99269 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 1412.83475 on reference line 99278 in /build/mopac-22.0.6+dfsg/tests and 1412.81789 on output line 99269 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -137.13407 on reference line 99669 in /build/mopac-22.0.6+dfsg/tests and -137.13838 on output line 99660 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -573.76896 on reference line 99669 in /build/mopac-22.0.6+dfsg/tests and -573.78697 on output line 99660 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 0.408 on reference line 99858 in /build/mopac-22.0.6+dfsg/tests and 0.407 on output line 99849 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 4.496 on reference line 99858 in /build/mopac-22.0.6+dfsg/tests and 4.497 on output line 99849 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -226.48297 on reference line 102524 in /build/mopac-22.0.6+dfsg/tests and -226.4837 on output line 102515 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -947.60476 on reference line 102524 in /build/mopac-22.0.6+dfsg/tests and -947.60779 on output line 102515 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -91.62756 on reference line 102759 in /build/mopac-22.0.6+dfsg/tests and -91.62844 on output line 102750 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -383.3697 on reference line 102759 in /build/mopac-22.0.6+dfsg/tests and -383.37341 on output line 102750 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -12.736458 on reference line 102805 in /build/mopac-22.0.6+dfsg/tests and -12.736569 on output line 102796 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -48.831389 on reference line 102806 in /build/mopac-22.0.6+dfsg/tests and -48.831503 on output line 102797 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -2.548352 on reference line 102807 in /build/mopac-22.0.6+dfsg/tests and -2.548537 on output line 102798 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -12.896129 on reference line 102809 in /build/mopac-22.0.6+dfsg/tests and -12.896269 on output line 102800 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -28.692321 on reference line 102818 in /build/mopac-22.0.6+dfsg/tests and -28.692528 on output line 102809 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -76.580717 on reference line 102824 in /build/mopac-22.0.6+dfsg/tests and -76.580869 on output line 102815 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -93.61453 on reference line 103016 in /build/mopac-22.0.6+dfsg/tests and -93.61541 on output line 103007 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -391.68318 on reference line 103016 in /build/mopac-22.0.6+dfsg/tests and -391.68689 on output line 103007 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -12.736324 on reference line 103062 in /build/mopac-22.0.6+dfsg/tests and -12.735625 on output line 103053 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -48.81069 on reference line 103063 in /build/mopac-22.0.6+dfsg/tests and -48.810804 on output line 103054 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -2.508702 on reference line 103064 in /build/mopac-22.0.6+dfsg/tests and -2.508888 on output line 103055 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -10.223661 on reference line 103066 in /build/mopac-22.0.6+dfsg/tests and -10.223798 on output line 103057 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -8.77697 on reference line 103074 in /build/mopac-22.0.6+dfsg/tests and -8.773786 on output line 103065 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -28.708747 on reference line 103075 in /build/mopac-22.0.6+dfsg/tests and -28.711459 on output line 103066 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -14.796799 on reference line 103076 in /build/mopac-22.0.6+dfsg/tests and -14.782399 on output line 103067 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -5.341998 on reference line 103077 in /build/mopac-22.0.6+dfsg/tests and -5.341219 on output line 103068 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 15.302844 on reference line 103078 in /build/mopac-22.0.6+dfsg/tests and 15.302669 on output line 103069 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -3.95661 on reference line 103079 in /build/mopac-22.0.6+dfsg/tests and -3.952412 on output line 103070 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -55.399765 on reference line 103080 in /build/mopac-22.0.6+dfsg/tests and -55.398657 on output line 103071 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -73.067523 on reference line 103081 in /build/mopac-22.0.6+dfsg/tests and -73.065213 on output line 103072 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -3.562087 on reference line 103082 in /build/mopac-22.0.6+dfsg/tests and -3.558406 on output line 103073 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 30.118232 on reference line 103086 in /build/mopac-22.0.6+dfsg/tests and 30.117095 on output line 103077 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -40.748661 on reference line 103087 in /build/mopac-22.0.6+dfsg/tests and -40.74791 on output line 103078 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -0.782733 on reference line 103088 in /build/mopac-22.0.6+dfsg/tests and -0.781377 on output line 103079 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 14.719046 on reference line 103089 in /build/mopac-22.0.6+dfsg/tests and 14.718917 on output line 103080 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 29.162845 on reference line 103090 in /build/mopac-22.0.6+dfsg/tests and 29.164265 on output line 103081 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -1.978367 on reference line 103091 in /build/mopac-22.0.6+dfsg/tests and -1.977429 on output line 103082 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between 1031.03349 on reference line 103269 in /build/mopac-22.0.6+dfsg/tests and 1031.03406 on output line 103260 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 4313.84412 on reference line 103269 in /build/mopac-22.0.6+dfsg/tests and 4313.84649 on output line 103260 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -470.041006 on reference line 103326 in /build/mopac-22.0.6+dfsg/tests and -470.04139 on output line 103317 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -470.0429 on reference line 103329 in /build/mopac-22.0.6+dfsg/tests and -470.043285 on output line 103320 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -470.036539 on reference line 103332 in /build/mopac-22.0.6+dfsg/tests and -470.036921 on output line 103323 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -470.046008 on reference line 103335 in /build/mopac-22.0.6+dfsg/tests and -470.046395 on output line 103326 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -470.038433 on reference line 103338 in /build/mopac-22.0.6+dfsg/tests and -470.038817 on output line 103329 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -470.033433 on reference line 103341 in /build/mopac-22.0.6+dfsg/tests and -470.033812 on output line 103332 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between 1031.03349 on reference line 103509 in /build/mopac-22.0.6+dfsg/tests and 1031.03406 on output line 103500 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 4313.84412 on reference line 103509 in /build/mopac-22.0.6+dfsg/tests and 4313.84649 on output line 103500 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -470.039709 on reference line 103566 in /build/mopac-22.0.6+dfsg/tests and -470.040324 on output line 103557 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 0.004658 on reference line 103567 in /build/mopac-22.0.6+dfsg/tests and 0.004902 on output line 103558 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -470.038346 on reference line 103569 in /build/mopac-22.0.6+dfsg/tests and -470.038899 on output line 103560 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -0.006162 on reference line 103570 in /build/mopac-22.0.6+dfsg/tests and -0.00643 on output line 103561 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -470.038717 on reference line 103572 in /build/mopac-22.0.6+dfsg/tests and -470.039287 on output line 103563 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 0.004101 on reference line 103573 in /build/mopac-22.0.6+dfsg/tests and 0.004289 on output line 103564 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -470.039406 on reference line 103575 in /build/mopac-22.0.6+dfsg/tests and -470.040007 on output line 103566 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -0.006725 on reference line 103576 in /build/mopac-22.0.6+dfsg/tests and -0.007031 on output line 103567 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -470.03736 on reference line 103578 in /build/mopac-22.0.6+dfsg/tests and -470.03787 on output line 103569 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 0.005494 on reference line 103579 in /build/mopac-22.0.6+dfsg/tests and 0.005765 on output line 103570 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -470.037633 on reference line 103581 in /build/mopac-22.0.6+dfsg/tests and -470.038153 on output line 103572 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between 1031.03349 on reference line 103746 in /build/mopac-22.0.6+dfsg/tests and 1031.03406 on output line 103737 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between 4313.84414 on reference line 103746 in /build/mopac-22.0.6+dfsg/tests and 4313.84651 on output line 103737 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -332.369317 on reference line 103788 in /build/mopac-22.0.6+dfsg/tests and -332.369586 on output line 103779 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -664.737314 on reference line 103789 in /build/mopac-22.0.6+dfsg/tests and -664.737851 on output line 103780 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -870.801926 on reference line 103790 in /build/mopac-22.0.6+dfsg/tests and -870.802633 on output line 103781 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -870.800721 on reference line 103792 in /build/mopac-22.0.6+dfsg/tests and -870.801426 on output line 103783 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -470.037275 on reference line 103794 in /build/mopac-22.0.6+dfsg/tests and -470.037656 on output line 103785 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -470.039788 on reference line 103797 in /build/mopac-22.0.6+dfsg/tests and -470.040169 on output line 103788 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -470.042447 on reference line 103800 in /build/mopac-22.0.6+dfsg/tests and -470.042827 on output line 103791 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -112.31816 on reference line 103950 in /build/mopac-22.0.6+dfsg/tests and -112.31852 on output line 103941 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -469.9392 on reference line 103950 in /build/mopac-22.0.6+dfsg/tests and -469.94068 on output line 103941 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -113.28097 on reference line 104147 in /build/mopac-22.0.6+dfsg/tests and -113.28132 on output line 104138 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -473.96757 on reference line 104147 in /build/mopac-22.0.6+dfsg/tests and -473.96905 on output line 104138 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -95.11104 on reference line 104394 in /build/mopac-22.0.6+dfsg/tests and -95.11336 on output line 104385 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -397.94459 on reference line 104394 in /build/mopac-22.0.6+dfsg/tests and -397.95431 on output line 104385 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -92.48888 on reference line 104828 in /build/mopac-22.0.6+dfsg/tests and -92.49121 on output line 104819 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -386.97348 on reference line 104828 in /build/mopac-22.0.6+dfsg/tests and -386.98321 on output line 104819 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -37.03561 on reference line 105263 in /build/mopac-22.0.6+dfsg/tests and -37.03828 on output line 105254 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -154.957 on reference line 105263 in /build/mopac-22.0.6+dfsg/tests and -154.96816 on output line 105254 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical heat mismatch between -218.24224 on reference line 105649 in /build/mopac-22.0.6+dfsg/tests and -218.24262 on output line 105640 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -1: WARNING: numerical mismatch between -913.12555 on reference line 105649 in /build/mopac-22.0.6+dfsg/tests and -913.12714 on output line 105640 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac -116/118 Test #1: port ............................. Passed 69.96 sec +1: WARNING: numerical heat mismatch between 207.59043 on reference line 40446 in /build/mopac-22.0.6+dfsg/tests and 207.58932 on output line 40448 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 868.55836 on reference line 40446 in /build/mopac-22.0.6+dfsg/tests and 868.55373 on output line 40448 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between 537.76466 on reference line 40740 in /build/mopac-22.0.6+dfsg/tests and 537.76366 on output line 40742 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 2250.00736 on reference line 40740 in /build/mopac-22.0.6+dfsg/tests and 2250.00315 on output line 40742 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: eigenvalue mismatch between -22.966 on reference line 40817 in /build/mopac-22.0.6+dfsg/tests and -22.967 on output line 40819 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: eigenvalue mismatch between -22.966 on reference line 40817 in /build/mopac-22.0.6+dfsg/tests and -22.967 on output line 40819 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -559.16602 on reference line 41074 in /build/mopac-22.0.6+dfsg/tests and -559.16822 on output line 41076 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -2339.55063 on reference line 41074 in /build/mopac-22.0.6+dfsg/tests and -2339.55984 on output line 41076 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -109.79143 on reference line 41524 in /build/mopac-22.0.6+dfsg/tests and -109.79234 on output line 41526 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -459.36733 on reference line 41524 in /build/mopac-22.0.6+dfsg/tests and -459.37113 on output line 41526 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -11.96069 on reference line 41844 in /build/mopac-22.0.6+dfsg/tests and -11.96101 on output line 41846 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -50.04352 on reference line 41844 in /build/mopac-22.0.6+dfsg/tests and -50.04486 on output line 41846 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 9042.21013 on reference line 42039 in /build/mopac-22.0.6+dfsg/tests and 9042.21035 on output line 42041 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -1022.81263 on reference line 42434 in /build/mopac-22.0.6+dfsg/tests and -1022.8178 on output line 42436 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -4279.44806 on reference line 42434 in /build/mopac-22.0.6+dfsg/tests and -4279.46969 on output line 42436 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between 29.26972 on reference line 43208 in /build/mopac-22.0.6+dfsg/tests and 29.26958 on output line 43210 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 122.46452 on reference line 43208 in /build/mopac-22.0.6+dfsg/tests and 122.46393 on output line 43210 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between 99.15646 on reference line 43464 in /build/mopac-22.0.6+dfsg/tests and 99.15507 on output line 43466 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 414.87061 on reference line 43464 in /build/mopac-22.0.6+dfsg/tests and 414.86482 on output line 43466 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between 814.70031 on reference line 43786 in /build/mopac-22.0.6+dfsg/tests and 814.69761 on output line 43788 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 3408.7061 on reference line 43786 in /build/mopac-22.0.6+dfsg/tests and 3408.69478 on output line 43788 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between 990.6346 on reference line 44266 in /build/mopac-22.0.6+dfsg/tests and 990.63205 on output line 44268 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 4144.81517 on reference line 44266 in /build/mopac-22.0.6+dfsg/tests and 4144.80449 on output line 44268 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between 1527.37668 on reference line 45088 in /build/mopac-22.0.6+dfsg/tests and 1527.37517 on output line 45090 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 6390.54404 on reference line 45088 in /build/mopac-22.0.6+dfsg/tests and 6390.53771 on output line 45090 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -137.48716 on reference line 46045 in /build/mopac-22.0.6+dfsg/tests and -137.48912 on output line 46047 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -575.24629 on reference line 46045 in /build/mopac-22.0.6+dfsg/tests and -575.25446 on output line 46047 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -47.10371 on reference line 46450 in /build/mopac-22.0.6+dfsg/tests and -47.10742 on output line 46452 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -197.08193 on reference line 46450 in /build/mopac-22.0.6+dfsg/tests and -197.09743 on output line 46452 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between 5.60649 on reference line 46948 in /build/mopac-22.0.6+dfsg/tests and 5.60616 on output line 46950 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 23.45757 on reference line 46948 in /build/mopac-22.0.6+dfsg/tests and 23.45618 on output line 46950 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between 42.13923 on reference line 47508 in /build/mopac-22.0.6+dfsg/tests and 42.1389 on output line 47510 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 176.31054 on reference line 47508 in /build/mopac-22.0.6+dfsg/tests and 176.30916 on output line 47510 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -33.01629 on reference line 50032 in /build/mopac-22.0.6+dfsg/tests and -33.01659 on output line 50034 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -138.14017 on reference line 50032 in /build/mopac-22.0.6+dfsg/tests and -138.14142 on output line 50034 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 228.8285 on reference line 50400 in /build/mopac-22.0.6+dfsg/tests and 228.8286 on output line 50402 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -39.83934 on reference line 51763 in /build/mopac-22.0.6+dfsg/tests and -39.83964 on output line 51765 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -166.6878 on reference line 51763 in /build/mopac-22.0.6+dfsg/tests and -166.68907 on output line 51765 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 38.9334 on reference line 51931 in /build/mopac-22.0.6+dfsg/tests and 38.9335 on output line 51933 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 349.0644 on reference line 51955 in /build/mopac-22.0.6+dfsg/tests and 349.0645 on output line 51957 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between 15.69643 on reference line 52223 in /build/mopac-22.0.6+dfsg/tests and 15.69617 on output line 52225 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 65.67386 on reference line 52223 in /build/mopac-22.0.6+dfsg/tests and 65.67278 on output line 52225 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -31.51126 on reference line 52757 in /build/mopac-22.0.6+dfsg/tests and -31.51156 on output line 52759 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -131.84309 on reference line 52757 in /build/mopac-22.0.6+dfsg/tests and -131.84438 on output line 52759 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -31.5112556589 on reference line 52873 in /build/mopac-22.0.6+dfsg/tests and -31.5115619217 on output line 52875 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 352.20919 on reference line 52979 in /build/mopac-22.0.6+dfsg/tests and 352.20934 on output line 52981 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 257.54977 on reference line 52981 in /build/mopac-22.0.6+dfsg/tests and 257.54991 on output line 52983 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 257.54652 on reference line 52983 in /build/mopac-22.0.6+dfsg/tests and 257.54666 on output line 52985 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 363.39368 on reference line 53094 in /build/mopac-22.0.6+dfsg/tests and 363.39383 on output line 53096 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 262.59038 on reference line 53096 in /build/mopac-22.0.6+dfsg/tests and 262.59052 on output line 53098 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 264.95863 on reference line 53098 in /build/mopac-22.0.6+dfsg/tests and 264.95877 on output line 53100 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 215.19577 on reference line 53104 in /build/mopac-22.0.6+dfsg/tests and 215.19588 on output line 53106 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 399.44186 on reference line 53209 in /build/mopac-22.0.6+dfsg/tests and 399.44204 on output line 53211 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 278.34549 on reference line 53211 in /build/mopac-22.0.6+dfsg/tests and 278.34563 on output line 53213 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 288.37905 on reference line 53213 in /build/mopac-22.0.6+dfsg/tests and 288.37921 on output line 53215 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 237.0732 on reference line 53219 in /build/mopac-22.0.6+dfsg/tests and 237.07332 on output line 53221 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -31.51129 on reference line 53293 in /build/mopac-22.0.6+dfsg/tests and -31.51159 on output line 53295 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -131.84322 on reference line 53293 in /build/mopac-22.0.6+dfsg/tests and -131.84451 on output line 53295 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -31.51129 on reference line 53439 in /build/mopac-22.0.6+dfsg/tests and -31.51159 on output line 53441 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -131.84322 on reference line 53439 in /build/mopac-22.0.6+dfsg/tests and -131.84451 on output line 53441 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between 234.71331 on reference line 53602 in /build/mopac-22.0.6+dfsg/tests and 234.71301 on output line 53604 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 982.04047 on reference line 53602 in /build/mopac-22.0.6+dfsg/tests and 982.03923 on output line 53604 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -11.96081 on reference line 54372 in /build/mopac-22.0.6+dfsg/tests and -11.96113 on output line 54374 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -50.04401 on reference line 54372 in /build/mopac-22.0.6+dfsg/tests and -50.04536 on output line 54374 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between 54.69048 on reference line 54568 in /build/mopac-22.0.6+dfsg/tests and 54.68965 on output line 54570 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 228.82499 on reference line 54568 in /build/mopac-22.0.6+dfsg/tests and 228.82151 on output line 54570 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between 116.22021 on reference line 54987 in /build/mopac-22.0.6+dfsg/tests and 116.21965 on output line 54989 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 486.26537 on reference line 54987 in /build/mopac-22.0.6+dfsg/tests and 486.26303 on output line 54989 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between 116.22022 on reference line 55241 in /build/mopac-22.0.6+dfsg/tests and 116.21966 on output line 55243 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 486.26538 on reference line 55241 in /build/mopac-22.0.6+dfsg/tests and 486.26304 on output line 55243 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -16.8709 on reference line 55416 in /build/mopac-22.0.6+dfsg/tests and -16.87141 on output line 55418 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -70.58785 on reference line 55416 in /build/mopac-22.0.6+dfsg/tests and -70.58998 on output line 55418 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -87.64255 on reference line 55661 in /build/mopac-22.0.6+dfsg/tests and -87.64377 on output line 55663 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -366.69643 on reference line 55661 in /build/mopac-22.0.6+dfsg/tests and -366.70155 on output line 55663 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between 234.71331 on reference line 56348 in /build/mopac-22.0.6+dfsg/tests and 234.71301 on output line 56350 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 982.04047 on reference line 56348 in /build/mopac-22.0.6+dfsg/tests and 982.03923 on output line 56350 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -32.90358 on reference line 56960 in /build/mopac-22.0.6+dfsg/tests and -32.90388 on output line 56962 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -137.66859 on reference line 56960 in /build/mopac-22.0.6+dfsg/tests and -137.66984 on output line 56962 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -32.90358 on reference line 57107 in /build/mopac-22.0.6+dfsg/tests and -32.90388 on output line 57109 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -137.66859 on reference line 57107 in /build/mopac-22.0.6+dfsg/tests and -137.66984 on output line 57109 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -17.59592 on reference line 57364 in /build/mopac-22.0.6+dfsg/tests and -17.5962 on output line 57366 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -73.62131 on reference line 57364 in /build/mopac-22.0.6+dfsg/tests and -73.62249 on output line 57366 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -111.5301 on reference line 57792 in /build/mopac-22.0.6+dfsg/tests and -111.53023 on output line 57794 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -466.64192 on reference line 57792 in /build/mopac-22.0.6+dfsg/tests and -466.64247 on output line 57794 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 215.77293 on reference line 58010 in /build/mopac-22.0.6+dfsg/tests and 215.77313 on output line 58012 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -216.020249 on reference line 58013 in /build/mopac-22.0.6+dfsg/tests and -216.020448 on output line 58015 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -291.49483 on reference line 58159 in /build/mopac-22.0.6+dfsg/tests and -291.49516 on output line 58161 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -1219.61436 on reference line 58159 in /build/mopac-22.0.6+dfsg/tests and -1219.61576 on output line 58161 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between 12.67447 on reference line 58315 in /build/mopac-22.0.6+dfsg/tests and 12.67429 on output line 58317 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 53.02998 on reference line 58315 in /build/mopac-22.0.6+dfsg/tests and 53.02921 on output line 58317 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 221.90067 on reference line 58467 in /build/mopac-22.0.6+dfsg/tests and 221.90038 on output line 58469 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -42.6276 on reference line 58612 in /build/mopac-22.0.6+dfsg/tests and -42.62776 on output line 58614 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -178.35389 on reference line 58612 in /build/mopac-22.0.6+dfsg/tests and -178.35454 on output line 58614 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -225.12659 on reference line 58770 in /build/mopac-22.0.6+dfsg/tests and -225.12696 on output line 58772 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -941.92963 on reference line 58770 in /build/mopac-22.0.6+dfsg/tests and -941.9312 on output line 58772 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between 85.90832 on reference line 58934 in /build/mopac-22.0.6+dfsg/tests and 85.90808 on output line 58936 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 359.44041 on reference line 58934 in /build/mopac-22.0.6+dfsg/tests and 359.4394 on output line 58936 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -143.27847 on reference line 59123 in /build/mopac-22.0.6+dfsg/tests and -143.27892 on output line 59125 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -599.47712 on reference line 59123 in /build/mopac-22.0.6+dfsg/tests and -599.47901 on output line 59125 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -13.02534 on reference line 59309 in /build/mopac-22.0.6+dfsg/tests and -13.02567 on output line 59311 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -54.49803 on reference line 59309 in /build/mopac-22.0.6+dfsg/tests and -54.4994 on output line 59311 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -85.0678 on reference line 59464 in /build/mopac-22.0.6+dfsg/tests and -85.06811 on output line 59466 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -355.92369 on reference line 59464 in /build/mopac-22.0.6+dfsg/tests and -355.92497 on output line 59466 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between 5797.7058 on reference line 59619 in /build/mopac-22.0.6+dfsg/tests and 5797.71069 on output line 59621 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 24257.60107 on reference line 59619 in /build/mopac-22.0.6+dfsg/tests and 24257.62151 on output line 59621 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -48.59657 on reference line 59776 in /build/mopac-22.0.6+dfsg/tests and -48.59669 on output line 59778 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -203.32806 on reference line 59776 in /build/mopac-22.0.6+dfsg/tests and -203.32856 on output line 59778 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -79.65384 on reference line 59927 in /build/mopac-22.0.6+dfsg/tests and -79.65402 on output line 59929 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -333.27168 on reference line 59927 in /build/mopac-22.0.6+dfsg/tests and -333.27241 on output line 59929 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -290.25206 on reference line 60085 in /build/mopac-22.0.6+dfsg/tests and -290.25243 on output line 60087 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -1214.41463 on reference line 60085 in /build/mopac-22.0.6+dfsg/tests and -1214.41617 on output line 60087 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -0.91545 on reference line 60242 in /build/mopac-22.0.6+dfsg/tests and -0.91559 on output line 60244 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -3.83024 on reference line 60242 in /build/mopac-22.0.6+dfsg/tests and -3.83084 on output line 60244 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 22.20609 on reference line 60389 in /build/mopac-22.0.6+dfsg/tests and 22.20582 on output line 60391 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -85.63809 on reference line 60531 in /build/mopac-22.0.6+dfsg/tests and -85.63845 on output line 60533 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -136.67095 on reference line 60674 in /build/mopac-22.0.6+dfsg/tests and -136.67134 on output line 60676 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 45.08619 on reference line 60823 in /build/mopac-22.0.6+dfsg/tests and 45.08605 on output line 60825 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between 79.67634 on reference line 60971 in /build/mopac-22.0.6+dfsg/tests and 79.67612 on output line 60973 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 333.36581 on reference line 60971 in /build/mopac-22.0.6+dfsg/tests and 333.36488 on output line 60973 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -183.069858 on reference line 61011 in /build/mopac-22.0.6+dfsg/tests and -183.070023 on output line 61013 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between 25.5819 on reference line 61151 in /build/mopac-22.0.6+dfsg/tests and 25.58162 on output line 61153 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 107.03468 on reference line 61151 in /build/mopac-22.0.6+dfsg/tests and 107.03348 on output line 61153 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between 18.31941 on reference line 61320 in /build/mopac-22.0.6+dfsg/tests and 18.31914 on output line 61322 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 76.64843 on reference line 61320 in /build/mopac-22.0.6+dfsg/tests and 76.64727 on output line 61322 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -160.68548 on reference line 61494 in /build/mopac-22.0.6+dfsg/tests and -160.68566 on output line 61496 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -672.30805 on reference line 61494 in /build/mopac-22.0.6+dfsg/tests and -672.30882 on output line 61496 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -3.07378 on reference line 61648 in /build/mopac-22.0.6+dfsg/tests and -3.07401 on output line 61650 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -12.8607 on reference line 61648 in /build/mopac-22.0.6+dfsg/tests and -12.86164 on output line 61650 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between 4009.80318 on reference line 61816 in /build/mopac-22.0.6+dfsg/tests and 4009.80638 on output line 61818 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 16777.0165 on reference line 61816 in /build/mopac-22.0.6+dfsg/tests and 16777.02989 on output line 61818 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between 0.2185 on reference line 61984 in /build/mopac-22.0.6+dfsg/tests and 0.21831 on output line 61986 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 0.9142 on reference line 61984 in /build/mopac-22.0.6+dfsg/tests and 0.9134 on output line 61986 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -147.68312 on reference line 62143 in /build/mopac-22.0.6+dfsg/tests and -147.68334 on output line 62145 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -617.90618 on reference line 62143 in /build/mopac-22.0.6+dfsg/tests and -617.90708 on output line 62145 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -72.45224 on reference line 62302 in /build/mopac-22.0.6+dfsg/tests and -72.45244 on output line 62304 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -303.14018 on reference line 62302 in /build/mopac-22.0.6+dfsg/tests and -303.14099 on output line 62304 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -38.02218 on reference line 62456 in /build/mopac-22.0.6+dfsg/tests and -38.02231 on output line 62458 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -159.08481 on reference line 62456 in /build/mopac-22.0.6+dfsg/tests and -159.08536 on output line 62458 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -390.57693 on reference line 62609 in /build/mopac-22.0.6+dfsg/tests and -390.5774 on output line 62611 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -1634.17387 on reference line 62609 in /build/mopac-22.0.6+dfsg/tests and -1634.17583 on output line 62611 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -217.2479 on reference line 62770 in /build/mopac-22.0.6+dfsg/tests and -217.24819 on output line 62772 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -908.96521 on reference line 62770 in /build/mopac-22.0.6+dfsg/tests and -908.96642 on output line 62772 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between 23.76025 on reference line 62927 in /build/mopac-22.0.6+dfsg/tests and 23.76013 on output line 62929 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 99.41288 on reference line 62927 in /build/mopac-22.0.6+dfsg/tests and 99.4124 on output line 62929 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -56.18159 on reference line 63073 in /build/mopac-22.0.6+dfsg/tests and -56.18189 on output line 63075 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between 8.19029 on reference line 63229 in /build/mopac-22.0.6+dfsg/tests and 8.18973 on output line 63231 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 34.26819 on reference line 63229 in /build/mopac-22.0.6+dfsg/tests and 34.26583 on output line 63231 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -31.5107 on reference line 63514 in /build/mopac-22.0.6+dfsg/tests and -31.51101 on output line 63516 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -131.84078 on reference line 63514 in /build/mopac-22.0.6+dfsg/tests and -131.84206 on output line 63516 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between 23.38701 on reference line 63816 in /build/mopac-22.0.6+dfsg/tests and 23.3859 on output line 63818 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 97.85123 on reference line 63816 in /build/mopac-22.0.6+dfsg/tests and 97.84662 on output line 63818 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between 23.38701 on reference line 64022 in /build/mopac-22.0.6+dfsg/tests and 23.3859 on output line 64024 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 97.85123 on reference line 64022 in /build/mopac-22.0.6+dfsg/tests and 97.84662 on output line 64024 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between 23.38701 on reference line 64411 in /build/mopac-22.0.6+dfsg/tests and 23.3859 on output line 64413 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 97.85123 on reference line 64411 in /build/mopac-22.0.6+dfsg/tests and 97.84662 on output line 64413 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -32.1065 on reference line 64672 in /build/mopac-22.0.6+dfsg/tests and -32.1068 on output line 64674 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -134.3336 on reference line 64672 in /build/mopac-22.0.6+dfsg/tests and -134.33484 on output line 64674 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -32.1064999653 on reference line 64783 in /build/mopac-22.0.6+dfsg/tests and -32.1067971986 on output line 64785 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 178.43598 on reference line 64843 in /build/mopac-22.0.6+dfsg/tests and 178.43608 on output line 64845 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 178.3729 on reference line 64845 in /build/mopac-22.0.6+dfsg/tests and 178.373 on output line 64847 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 181.23979 on reference line 64910 in /build/mopac-22.0.6+dfsg/tests and 181.23989 on output line 64912 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 182.50533 on reference line 64912 in /build/mopac-22.0.6+dfsg/tests and 182.50543 on output line 64914 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 195.35532 on reference line 64979 in /build/mopac-22.0.6+dfsg/tests and 195.35542 on output line 64981 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -44.84241 on reference line 65067 in /build/mopac-22.0.6+dfsg/tests and -44.8427 on output line 65069 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -187.62063 on reference line 65067 in /build/mopac-22.0.6+dfsg/tests and -187.62187 on output line 65069 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 61.6103 on reference line 65158 in /build/mopac-22.0.6+dfsg/tests and 61.6102 on output line 65160 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -44.8424079637 on reference line 65178 in /build/mopac-22.0.6+dfsg/tests and -44.8427028533 on output line 65180 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 65.7362 on reference line 65282 in /build/mopac-22.0.6+dfsg/tests and 65.7363 on output line 65284 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 61.6103 on reference line 65401 in /build/mopac-22.0.6+dfsg/tests and 61.6102 on output line 65403 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -44.84241 on reference line 65421 in /build/mopac-22.0.6+dfsg/tests and -44.8427 on output line 65423 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -96.02156 on reference line 65624 in /build/mopac-22.0.6+dfsg/tests and -96.02233 on output line 65626 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -401.7542 on reference line 65624 in /build/mopac-22.0.6+dfsg/tests and -401.75742 on output line 65626 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -96.0214 on reference line 65854 in /build/mopac-22.0.6+dfsg/tests and -96.02217 on output line 65856 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -401.75354 on reference line 65854 in /build/mopac-22.0.6+dfsg/tests and -401.75675 on output line 65856 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -65.45968 on reference line 66029 in /build/mopac-22.0.6+dfsg/tests and -65.45988 on output line 66031 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -273.88332 on reference line 66029 in /build/mopac-22.0.6+dfsg/tests and -273.88412 on output line 66031 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between 71.738 on reference line 66264 in /build/mopac-22.0.6+dfsg/tests and 71.73779 on output line 66266 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 300.15181 on reference line 66264 in /build/mopac-22.0.6+dfsg/tests and 300.15093 on output line 66266 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between 75.64166 on reference line 66442 in /build/mopac-22.0.6+dfsg/tests and 75.64145 on output line 66444 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 316.4847 on reference line 66442 in /build/mopac-22.0.6+dfsg/tests and 316.48382 on output line 66444 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -65.57967 on reference line 66589 in /build/mopac-22.0.6+dfsg/tests and -65.57985 on output line 66591 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -274.38534 on reference line 66589 in /build/mopac-22.0.6+dfsg/tests and -274.3861 on output line 66591 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -64.80175 on reference line 66786 in /build/mopac-22.0.6+dfsg/tests and -64.80194 on output line 66788 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -271.13052 on reference line 66786 in /build/mopac-22.0.6+dfsg/tests and -271.13132 on output line 66788 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -58.75643 on reference line 67013 in /build/mopac-22.0.6+dfsg/tests and -58.75662 on output line 67015 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -245.83692 on reference line 67013 in /build/mopac-22.0.6+dfsg/tests and -245.83769 on output line 67015 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -252.67109 on reference line 67206 in /build/mopac-22.0.6+dfsg/tests and -252.671321 on output line 67208 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -293.217556 on reference line 67207 in /build/mopac-22.0.6+dfsg/tests and -293.217872 on output line 67209 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 1337.17153 on reference line 68144 in /build/mopac-22.0.6+dfsg/tests and 1337.17137 on output line 68146 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -77.08867 on reference line 68671 in /build/mopac-22.0.6+dfsg/tests and -77.08943 on output line 68673 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -322.53898 on reference line 68671 in /build/mopac-22.0.6+dfsg/tests and -322.54216 on output line 68673 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -74.74412 on reference line 68929 in /build/mopac-22.0.6+dfsg/tests and -74.7445 on output line 68931 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -312.72941 on reference line 68929 in /build/mopac-22.0.6+dfsg/tests and -312.73099 on output line 68931 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -75.65362 on reference line 69041 in /build/mopac-22.0.6+dfsg/tests and -75.65399 on output line 69043 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -316.53473 on reference line 69041 in /build/mopac-22.0.6+dfsg/tests and -316.53631 on output line 69043 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -78.60938 on reference line 69153 in /build/mopac-22.0.6+dfsg/tests and -78.60976 on output line 69155 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -328.90163 on reference line 69153 in /build/mopac-22.0.6+dfsg/tests and -328.90322 on output line 69155 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -80.71173 on reference line 69382 in /build/mopac-22.0.6+dfsg/tests and -80.71211 on output line 69384 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -337.69789 on reference line 69382 in /build/mopac-22.0.6+dfsg/tests and -337.69948 on output line 69384 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -82.12125 on reference line 69495 in /build/mopac-22.0.6+dfsg/tests and -82.12163 on output line 69497 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -343.59531 on reference line 69495 in /build/mopac-22.0.6+dfsg/tests and -343.59691 on output line 69497 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -80.2135 on reference line 69608 in /build/mopac-22.0.6+dfsg/tests and -80.21388 on output line 69610 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -335.61327 on reference line 69608 in /build/mopac-22.0.6+dfsg/tests and -335.61486 on output line 69610 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -74.74413 on reference line 69923 in /build/mopac-22.0.6+dfsg/tests and -74.74451 on output line 69925 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -312.72944 on reference line 69923 in /build/mopac-22.0.6+dfsg/tests and -312.73102 on output line 69925 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -75.65362 on reference line 70035 in /build/mopac-22.0.6+dfsg/tests and -75.654 on output line 70037 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -316.53476 on reference line 70035 in /build/mopac-22.0.6+dfsg/tests and -316.53634 on output line 70037 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -78.60939 on reference line 70147 in /build/mopac-22.0.6+dfsg/tests and -78.60977 on output line 70149 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -328.90167 on reference line 70147 in /build/mopac-22.0.6+dfsg/tests and -328.90326 on output line 70149 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -80.71174 on reference line 70259 in /build/mopac-22.0.6+dfsg/tests and -80.71212 on output line 70261 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -337.69791 on reference line 70259 in /build/mopac-22.0.6+dfsg/tests and -337.6995 on output line 70261 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -82.12125 on reference line 70372 in /build/mopac-22.0.6+dfsg/tests and -82.12164 on output line 70374 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -343.59533 on reference line 70372 in /build/mopac-22.0.6+dfsg/tests and -343.59693 on output line 70374 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -80.2135 on reference line 70485 in /build/mopac-22.0.6+dfsg/tests and -80.21388 on output line 70487 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -335.61329 on reference line 70485 in /build/mopac-22.0.6+dfsg/tests and -335.61488 on output line 70487 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -0.46505 on reference line 72412 in /build/mopac-22.0.6+dfsg/tests and -0.46527 on output line 72414 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -1.94578 on reference line 72412 in /build/mopac-22.0.6+dfsg/tests and -1.94669 on output line 72414 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between 1433.83917 on reference line 72712 in /build/mopac-22.0.6+dfsg/tests and 1433.83758 on output line 72711 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 5999.18311 on reference line 72712 in /build/mopac-22.0.6+dfsg/tests and 5999.17644 on output line 72711 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 378.82 on reference line 72716 in /build/mopac-22.0.6+dfsg/tests and 378.83 on output line 72715 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -15.17849 on reference line 73132 in /build/mopac-22.0.6+dfsg/tests and -15.17881 on output line 73131 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -63.50678 on reference line 73132 in /build/mopac-22.0.6+dfsg/tests and -63.50815 on output line 73131 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between 121.7783 on reference line 73304 in /build/mopac-22.0.6+dfsg/tests and 121.77813 on output line 73303 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 509.52042 on reference line 73304 in /build/mopac-22.0.6+dfsg/tests and 509.51968 on output line 73303 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -3.07367 on reference line 73450 in /build/mopac-22.0.6+dfsg/tests and -3.07389 on output line 73449 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -12.86023 on reference line 73450 in /build/mopac-22.0.6+dfsg/tests and -12.86117 on output line 73449 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -3.07367 on reference line 73595 in /build/mopac-22.0.6+dfsg/tests and -3.07389 on output line 73594 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -12.86023 on reference line 73595 in /build/mopac-22.0.6+dfsg/tests and -12.86117 on output line 73594 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -25.181725 on reference line 73769 in /build/mopac-22.0.6+dfsg/tests and -25.18202 on output line 73768 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -25.18129 on reference line 73851 in /build/mopac-22.0.6+dfsg/tests and -25.18158 on output line 73850 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -105.3585 on reference line 73851 in /build/mopac-22.0.6+dfsg/tests and -105.35973 on output line 73850 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -25.54307 on reference line 74040 in /build/mopac-22.0.6+dfsg/tests and -25.54337 on output line 74039 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -106.8722 on reference line 74040 in /build/mopac-22.0.6+dfsg/tests and -106.87344 on output line 74039 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -85.71375 on reference line 74194 in /build/mopac-22.0.6+dfsg/tests and -85.7141 on output line 74193 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -25.54229 on reference line 76078 in /build/mopac-22.0.6+dfsg/tests and -25.54259 on output line 76077 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -106.86895 on reference line 76078 in /build/mopac-22.0.6+dfsg/tests and -106.87019 on output line 76077 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -25.54287 on reference line 76355 in /build/mopac-22.0.6+dfsg/tests and -25.54317 on output line 76354 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -106.87138 on reference line 76355 in /build/mopac-22.0.6+dfsg/tests and -106.87263 on output line 76354 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 386.13366 on reference line 77283 in /build/mopac-22.0.6+dfsg/tests and 386.1334 on output line 77282 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 432.24037 on reference line 83576 in /build/mopac-22.0.6+dfsg/tests and 432.24017 on output line 83575 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -34.16298 on reference line 83760 in /build/mopac-22.0.6+dfsg/tests and -34.1631 on output line 83759 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -142.93791 on reference line 83760 in /build/mopac-22.0.6+dfsg/tests and -142.9384 on output line 83759 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -34.16298 on reference line 83906 in /build/mopac-22.0.6+dfsg/tests and -34.1631 on output line 83905 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -142.93791 on reference line 83906 in /build/mopac-22.0.6+dfsg/tests and -142.9384 on output line 83905 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between 36.18031 on reference line 84096 in /build/mopac-22.0.6+dfsg/tests and 36.1795 on output line 84095 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 151.3784 on reference line 84096 in /build/mopac-22.0.6+dfsg/tests and 151.37504 on output line 84095 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -46.64361 on reference line 84264 in /build/mopac-22.0.6+dfsg/tests and -46.64392 on output line 84263 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -1177.10737 on reference line 84422 in /build/mopac-22.0.6+dfsg/tests and -1177.10772 on output line 84421 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -46.64361 on reference line 84505 in /build/mopac-22.0.6+dfsg/tests and -46.64392 on output line 84504 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -46.64361 on reference line 84733 in /build/mopac-22.0.6+dfsg/tests and -46.64392 on output line 84732 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -46.64361 on reference line 84957 in /build/mopac-22.0.6+dfsg/tests and -46.64392 on output line 84956 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 67.8695 on reference line 85163 in /build/mopac-22.0.6+dfsg/tests and 67.8696 on output line 85162 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 67.8695 on reference line 85169 in /build/mopac-22.0.6+dfsg/tests and 67.8696 on output line 85168 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -46.64361 on reference line 85241 in /build/mopac-22.0.6+dfsg/tests and -46.64392 on output line 85240 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -1102.6257 on reference line 85487 in /build/mopac-22.0.6+dfsg/tests and -1102.6261 on output line 85486 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -46.64361 on reference line 85576 in /build/mopac-22.0.6+dfsg/tests and -46.64392 on output line 85575 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -1079.3868 on reference line 85800 in /build/mopac-22.0.6+dfsg/tests and -1079.3871 on output line 85799 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -46.64361 on reference line 85889 in /build/mopac-22.0.6+dfsg/tests and -46.64392 on output line 85888 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -1060.8931 on reference line 86124 in /build/mopac-22.0.6+dfsg/tests and -1060.8934 on output line 86123 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between 28.74602 on reference line 86221 in /build/mopac-22.0.6+dfsg/tests and 28.74577 on output line 86220 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 120.27334 on reference line 86221 in /build/mopac-22.0.6+dfsg/tests and 120.27231 on output line 86220 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 28.7460176452 on reference line 86332 in /build/mopac-22.0.6+dfsg/tests and 28.7457715061 on output line 86331 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 630.6735 on reference line 86393 in /build/mopac-22.0.6+dfsg/tests and 630.67372 on output line 86392 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 630.67111 on reference line 86395 in /build/mopac-22.0.6+dfsg/tests and 630.67133 on output line 86394 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 630.66713 on reference line 86396 in /build/mopac-22.0.6+dfsg/tests and 630.66735 on output line 86395 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 630.66788 on reference line 86397 in /build/mopac-22.0.6+dfsg/tests and 630.6681 on output line 86396 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 499.5694 on reference line 86400 in /build/mopac-22.0.6+dfsg/tests and 499.56958 on output line 86399 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 745.31228 on reference line 86460 in /build/mopac-22.0.6+dfsg/tests and 745.31255 on output line 86459 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 745.3347 on reference line 86462 in /build/mopac-22.0.6+dfsg/tests and 745.33497 on output line 86461 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 767.07302 on reference line 86463 in /build/mopac-22.0.6+dfsg/tests and 767.0733 on output line 86462 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 767.07246 on reference line 86464 in /build/mopac-22.0.6+dfsg/tests and 767.07274 on output line 86463 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 600.09712 on reference line 86467 in /build/mopac-22.0.6+dfsg/tests and 600.09734 on output line 86466 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 302.25107 on reference line 86467 in /build/mopac-22.0.6+dfsg/tests and 302.25118 on output line 86466 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 1559.58935 on reference line 86527 in /build/mopac-22.0.6+dfsg/tests and 1559.59008 on output line 86526 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 1559.60551 on reference line 86529 in /build/mopac-22.0.6+dfsg/tests and 1559.60624 on output line 86528 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 1740.28267 on reference line 86530 in /build/mopac-22.0.6+dfsg/tests and 1740.28349 on output line 86529 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 1740.29828 on reference line 86531 in /build/mopac-22.0.6+dfsg/tests and 1740.2991 on output line 86530 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 1315.43898 on reference line 86534 in /build/mopac-22.0.6+dfsg/tests and 1315.4396 on output line 86533 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 662.54749 on reference line 86534 in /build/mopac-22.0.6+dfsg/tests and 662.5478 on output line 86533 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -25.54287 on reference line 86635 in /build/mopac-22.0.6+dfsg/tests and -25.54317 on output line 86634 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -106.87137 on reference line 86635 in /build/mopac-22.0.6+dfsg/tests and -106.87261 on output line 86634 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -25.5428693935 on reference line 86747 in /build/mopac-22.0.6+dfsg/tests and -25.543166148 on output line 86746 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -620.31881 on reference line 86804 in /build/mopac-22.0.6+dfsg/tests and -620.31918 on output line 86803 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 196.54172 on reference line 86805 in /build/mopac-22.0.6+dfsg/tests and 196.54182 on output line 86804 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 190.85548 on reference line 86807 in /build/mopac-22.0.6+dfsg/tests and 190.85559 on output line 86806 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 190.84157 on reference line 86809 in /build/mopac-22.0.6+dfsg/tests and 190.84167 on output line 86808 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -64.4172 on reference line 86845 in /build/mopac-22.0.6+dfsg/tests and -64.4173 on output line 86844 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 64.4172 on reference line 86851 in /build/mopac-22.0.6+dfsg/tests and 64.4173 on output line 86850 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -739.94796 on reference line 86871 in /build/mopac-22.0.6+dfsg/tests and -739.94843 on output line 86870 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 300.64801 on reference line 86872 in /build/mopac-22.0.6+dfsg/tests and 300.64817 on output line 86871 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 217.94304 on reference line 86874 in /build/mopac-22.0.6+dfsg/tests and 217.94315 on output line 86873 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 279.32162 on reference line 86876 in /build/mopac-22.0.6+dfsg/tests and 279.32177 on output line 86875 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 248.0712 on reference line 86877 in /build/mopac-22.0.6+dfsg/tests and 248.0713 on output line 86876 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -35.54846 on reference line 86964 in /build/mopac-22.0.6+dfsg/tests and -35.54888 on output line 86963 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -8.4962866515 on reference line 87034 in /build/mopac-22.0.6+dfsg/tests and -8.4963871778 on output line 87033 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -1524.49937 on reference line 87091 in /build/mopac-22.0.6+dfsg/tests and -1524.50135 on output line 87090 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -309.72173 on reference line 87102 in /build/mopac-22.0.6+dfsg/tests and -309.72213 on output line 87101 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -155.99762 on reference line 87102 in /build/mopac-22.0.6+dfsg/tests and -155.99783 on output line 87101 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -24.93412 on reference line 87177 in /build/mopac-22.0.6+dfsg/tests and -24.93442 on output line 87176 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -104.32437 on reference line 87177 in /build/mopac-22.0.6+dfsg/tests and -104.32562 on output line 87176 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -24.9341231845 on reference line 87288 in /build/mopac-22.0.6+dfsg/tests and -24.9344204469 on output line 87287 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -614.89636 on reference line 87345 in /build/mopac-22.0.6+dfsg/tests and -614.89662 on output line 87344 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 193.5079 on reference line 87348 in /build/mopac-22.0.6+dfsg/tests and 193.50801 on output line 87347 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 193.54813 on reference line 87350 in /build/mopac-22.0.6+dfsg/tests and 193.54824 on output line 87349 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -621.64876 on reference line 87412 in /build/mopac-22.0.6+dfsg/tests and -621.64902 on output line 87411 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 195.34502 on reference line 87415 in /build/mopac-22.0.6+dfsg/tests and 195.34513 on output line 87414 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 197.86467 on reference line 87417 in /build/mopac-22.0.6+dfsg/tests and 197.86478 on output line 87416 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -640.49482 on reference line 87479 in /build/mopac-22.0.6+dfsg/tests and -640.49508 on output line 87478 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 201.22479 on reference line 87482 in /build/mopac-22.0.6+dfsg/tests and 201.2249 on output line 87481 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 212.14809 on reference line 87484 in /build/mopac-22.0.6+dfsg/tests and 212.14821 on output line 87483 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -24.93412 on reference line 87565 in /build/mopac-22.0.6+dfsg/tests and -24.93442 on output line 87564 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -104.32437 on reference line 87565 in /build/mopac-22.0.6+dfsg/tests and -104.32562 on output line 87564 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -24.9341231845 on reference line 87676 in /build/mopac-22.0.6+dfsg/tests and -24.9344204469 on output line 87675 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -24.93412 on reference line 88045 in /build/mopac-22.0.6+dfsg/tests and -24.93442 on output line 88044 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -104.32437 on reference line 88045 in /build/mopac-22.0.6+dfsg/tests and -104.32562 on output line 88044 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -24.9341231845 on reference line 88156 in /build/mopac-22.0.6+dfsg/tests and -24.9344204469 on output line 88155 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -6.38244 on reference line 89483 in /build/mopac-22.0.6+dfsg/tests and -6.38267 on output line 89476 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -26.70415 on reference line 89483 in /build/mopac-22.0.6+dfsg/tests and -26.70507 on output line 89476 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -32.01058 on reference line 90063 in /build/mopac-22.0.6+dfsg/tests and -32.0107 on output line 90056 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -133.93228 on reference line 90063 in /build/mopac-22.0.6+dfsg/tests and -133.93276 on output line 90056 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -32.90361 on reference line 90269 in /build/mopac-22.0.6+dfsg/tests and -32.90391 on output line 90262 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -137.6687 on reference line 90269 in /build/mopac-22.0.6+dfsg/tests and -137.66995 on output line 90262 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between 22.95662 on reference line 90813 in /build/mopac-22.0.6+dfsg/tests and 22.95553 on output line 90806 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 96.05048 on reference line 90813 in /build/mopac-22.0.6+dfsg/tests and 96.04592 on output line 90806 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between 34.16146 on reference line 90996 in /build/mopac-22.0.6+dfsg/tests and 34.16123 on output line 90989 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 142.93156 on reference line 90996 in /build/mopac-22.0.6+dfsg/tests and 142.93057 on output line 90989 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 816.72111 on reference line 91162 in /build/mopac-22.0.6+dfsg/tests and 816.72081 on output line 91155 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between 164.35977 on reference line 91362 in /build/mopac-22.0.6+dfsg/tests and 164.35844 on output line 91355 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 687.68126 on reference line 91362 in /build/mopac-22.0.6+dfsg/tests and 687.67571 on output line 91355 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -31.10392 on reference line 92337 in /build/mopac-22.0.6+dfsg/tests and -31.10533 on output line 92330 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -130.13879 on reference line 92337 in /build/mopac-22.0.6+dfsg/tests and -130.1447 on output line 92330 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -0.116261 on reference line 92367 in /build/mopac-22.0.6+dfsg/tests and -0.116409 on output line 92360 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -0.046526 on reference line 92369 in /build/mopac-22.0.6+dfsg/tests and -0.046628 on output line 92362 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -0.067383 on reference line 92371 in /build/mopac-22.0.6+dfsg/tests and -0.067486 on output line 92364 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -231.074373 on reference line 92705 in /build/mopac-22.0.6+dfsg/tests and -231.080151 on output line 92698 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 113.9679215 on reference line 92711 in /build/mopac-22.0.6+dfsg/tests and 113.9676562 on output line 92704 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 118.6527059 on reference line 92721 in /build/mopac-22.0.6+dfsg/tests and 118.6523678 on output line 92714 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -30.4568978 on reference line 92721 in /build/mopac-22.0.6+dfsg/tests and -30.4565967 on output line 92714 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 120.7216214 on reference line 92722 in /build/mopac-22.0.6+dfsg/tests and 120.7219537 on output line 92715 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 178.4007303 on reference line 92722 in /build/mopac-22.0.6+dfsg/tests and 178.4008912 on output line 92715 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 108.4169811 on reference line 92723 in /build/mopac-22.0.6+dfsg/tests and 108.4167695 on output line 92716 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -128.9854673 on reference line 92723 in /build/mopac-22.0.6+dfsg/tests and -128.9851268 on output line 92716 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 118.8536562 on reference line 92741 in /build/mopac-22.0.6+dfsg/tests and 118.8538052 on output line 92734 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 152.7301233 on reference line 92741 in /build/mopac-22.0.6+dfsg/tests and 152.7304737 on output line 92734 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 122.1099342 on reference line 92742 in /build/mopac-22.0.6+dfsg/tests and 122.109752 on output line 92735 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 173.0646035 on reference line 92742 in /build/mopac-22.0.6+dfsg/tests and 173.0650236 on output line 92735 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 106.2444503 on reference line 92743 in /build/mopac-22.0.6+dfsg/tests and 106.2447519 on output line 92736 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -98.165963 on reference line 92743 in /build/mopac-22.0.6+dfsg/tests and -98.1656076 on output line 92736 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 121.1907847 on reference line 92757 in /build/mopac-22.0.6+dfsg/tests and 121.1903544 on output line 92750 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 119.8782484 on reference line 92758 in /build/mopac-22.0.6+dfsg/tests and 119.8789173 on output line 92751 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 116.0315382 on reference line 92759 in /build/mopac-22.0.6+dfsg/tests and 116.0316617 on output line 92752 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -90.5276138 on reference line 92759 in /build/mopac-22.0.6+dfsg/tests and -90.5277205 on output line 92752 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 106.8783553 on reference line 92761 in /build/mopac-22.0.6+dfsg/tests and 106.8781605 on output line 92754 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 122.259133 on reference line 92763 in /build/mopac-22.0.6+dfsg/tests and 122.2592577 on output line 92756 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 108.4977582 on reference line 92764 in /build/mopac-22.0.6+dfsg/tests and 108.4979202 on output line 92757 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 156.127084 on reference line 92771 in /build/mopac-22.0.6+dfsg/tests and 156.1269764 on output line 92764 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 176.3167381 on reference line 92772 in /build/mopac-22.0.6+dfsg/tests and 176.3165757 on output line 92765 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -119.008037 on reference line 92939 in /build/mopac-22.0.6+dfsg/tests and -119.011081 on output line 92932 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between 206.57311 on reference line 93080 in /build/mopac-22.0.6+dfsg/tests and 206.5713 on output line 93073 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 864.30189 on reference line 93080 in /build/mopac-22.0.6+dfsg/tests and 864.29432 on output line 93073 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between 214.47567 on reference line 93400 in /build/mopac-22.0.6+dfsg/tests and 214.47535 on output line 93393 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 897.36619 on reference line 93400 in /build/mopac-22.0.6+dfsg/tests and 897.36486 on output line 93393 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -503.96574 on reference line 93578 in /build/mopac-22.0.6+dfsg/tests and -503.96628 on output line 93571 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -2108.59267 on reference line 93578 in /build/mopac-22.0.6+dfsg/tests and -2108.5949 on output line 93571 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -46.98548 on reference line 93788 in /build/mopac-22.0.6+dfsg/tests and -46.98673 on output line 93781 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -196.58725 on reference line 93788 in /build/mopac-22.0.6+dfsg/tests and -196.5925 on output line 93781 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -123.41077 on reference line 95955 in /build/mopac-22.0.6+dfsg/tests and -123.41207 on output line 95950 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -516.35065 on reference line 95955 in /build/mopac-22.0.6+dfsg/tests and -516.35612 on output line 95950 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -5.542 on reference line 95999 in /build/mopac-22.0.6+dfsg/tests and -5.543 on output line 95994 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -37.31616 on reference line 96409 in /build/mopac-22.0.6+dfsg/tests and -37.31279 on output line 96404 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -156.13082 on reference line 96409 in /build/mopac-22.0.6+dfsg/tests and -156.1167 on output line 96404 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 60.65 on reference line 96410 in /build/mopac-22.0.6+dfsg/tests and 60.86 on output line 96405 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -0.24505 on reference line 96413 in /build/mopac-22.0.6+dfsg/tests and -0.24487 on output line 96409 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 60.65 on reference line 96414 in /build/mopac-22.0.6+dfsg/tests and 60.86 on output line 96410 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 42.57 on reference line 96415 in /build/mopac-22.0.6+dfsg/tests and 42.68 on output line 96411 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -0.334 on reference line 96449 in /build/mopac-22.0.6+dfsg/tests and -0.33 on output line 96445 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 0.097 on reference line 96450 in /build/mopac-22.0.6+dfsg/tests and 0.095 on output line 96446 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 0.193 on reference line 96450 in /build/mopac-22.0.6+dfsg/tests and 0.192 on output line 96446 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 0.342748 on reference line 96480 in /build/mopac-22.0.6+dfsg/tests and 0.342639 on output line 96476 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -337.57416 on reference line 96658 in /build/mopac-22.0.6+dfsg/tests and -337.57764 on output line 96654 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -1412.4103 on reference line 96658 in /build/mopac-22.0.6+dfsg/tests and -1412.42486 on output line 96654 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between 20.65492 on reference line 97012 in /build/mopac-22.0.6+dfsg/tests and 20.65261 on output line 97008 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 86.4202 on reference line 97012 in /build/mopac-22.0.6+dfsg/tests and 86.4105 on output line 97008 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between 18.83955 on reference line 97272 in /build/mopac-22.0.6+dfsg/tests and 18.839 on output line 97268 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 78.82469 on reference line 97272 in /build/mopac-22.0.6+dfsg/tests and 78.82237 on output line 97268 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between 18.80249 on reference line 97443 in /build/mopac-22.0.6+dfsg/tests and 18.80193 on output line 97439 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 78.66961 on reference line 97443 in /build/mopac-22.0.6+dfsg/tests and 78.66729 on output line 97439 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between 763.46527 on reference line 97656 in /build/mopac-22.0.6+dfsg/tests and 763.46456 on output line 97652 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 3194.33869 on reference line 97656 in /build/mopac-22.0.6+dfsg/tests and 3194.33573 on output line 97652 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between 194.59205 on reference line 97987 in /build/mopac-22.0.6+dfsg/tests and 194.58646 on output line 97983 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 814.17315 on reference line 97987 in /build/mopac-22.0.6+dfsg/tests and 814.14976 on output line 97983 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between 134.49501 on reference line 98461 in /build/mopac-22.0.6+dfsg/tests and 134.48987 on output line 98457 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 562.72713 on reference line 98461 in /build/mopac-22.0.6+dfsg/tests and 562.70561 on output line 98457 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between 129.6887 on reference line 98903 in /build/mopac-22.0.6+dfsg/tests and 129.69101 on output line 98899 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 542.61753 on reference line 98903 in /build/mopac-22.0.6+dfsg/tests and 542.62719 on output line 98899 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -0.229823 on reference line 99023 in /build/mopac-22.0.6+dfsg/tests and -0.229332 on output line 99019 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 4.2298 on reference line 99023 in /build/mopac-22.0.6+dfsg/tests and 4.2293 on output line 99019 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 3.19148 on reference line 99023 in /build/mopac-22.0.6+dfsg/tests and 3.19105 on output line 99019 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 0.008884 on reference line 99024 in /build/mopac-22.0.6+dfsg/tests and 0.008387 on output line 99020 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 3.9911 on reference line 99024 in /build/mopac-22.0.6+dfsg/tests and 3.9916 on output line 99020 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 1.07956 on reference line 99024 in /build/mopac-22.0.6+dfsg/tests and 1.07936 on output line 99020 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 2.91155 on reference line 99024 in /build/mopac-22.0.6+dfsg/tests and 2.91226 on output line 99020 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -0.10486 on reference line 99025 in /build/mopac-22.0.6+dfsg/tests and -0.104963 on output line 99021 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 7.1049 on reference line 99025 in /build/mopac-22.0.6+dfsg/tests and 7.105 on output line 99021 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -0.171858 on reference line 99026 in /build/mopac-22.0.6+dfsg/tests and -0.171506 on output line 99022 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 4.1719 on reference line 99026 in /build/mopac-22.0.6+dfsg/tests and 4.1715 on output line 99022 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 3.10693 on reference line 99026 in /build/mopac-22.0.6+dfsg/tests and 3.10649 on output line 99022 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 0.050631 on reference line 99027 in /build/mopac-22.0.6+dfsg/tests and 0.051836 on output line 99023 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 3.9494 on reference line 99027 in /build/mopac-22.0.6+dfsg/tests and 3.9482 on output line 99023 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 1.04344 on reference line 99027 in /build/mopac-22.0.6+dfsg/tests and 1.04374 on output line 99023 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 2.90593 on reference line 99027 in /build/mopac-22.0.6+dfsg/tests and 2.90443 on output line 99023 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 0.108686 on reference line 99028 in /build/mopac-22.0.6+dfsg/tests and 0.10947 on output line 99024 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 3.8913 on reference line 99028 in /build/mopac-22.0.6+dfsg/tests and 3.8905 on output line 99024 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 2.84375 on reference line 99028 in /build/mopac-22.0.6+dfsg/tests and 2.84289 on output line 99024 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -0.069249 on reference line 99029 in /build/mopac-22.0.6+dfsg/tests and -0.071262 on output line 99025 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 4.0692 on reference line 99029 in /build/mopac-22.0.6+dfsg/tests and 4.0713 on output line 99025 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 1.07559 on reference line 99029 in /build/mopac-22.0.6+dfsg/tests and 1.07533 on output line 99025 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 2.99366 on reference line 99029 in /build/mopac-22.0.6+dfsg/tests and 2.99594 on output line 99025 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 0.481911 on reference line 99030 in /build/mopac-22.0.6+dfsg/tests and 0.482182 on output line 99026 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 3.5181 on reference line 99030 in /build/mopac-22.0.6+dfsg/tests and 3.5178 on output line 99026 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 2.45305 on reference line 99030 in /build/mopac-22.0.6+dfsg/tests and 2.4527 on output line 99026 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -0.482206 on reference line 99031 in /build/mopac-22.0.6+dfsg/tests and -0.482453 on output line 99027 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 5.4822 on reference line 99031 in /build/mopac-22.0.6+dfsg/tests and 5.4825 on output line 99027 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 3.99276 on reference line 99031 in /build/mopac-22.0.6+dfsg/tests and 3.99297 on output line 99027 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -0.482972 on reference line 99032 in /build/mopac-22.0.6+dfsg/tests and -0.482586 on output line 99028 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 5.483 on reference line 99032 in /build/mopac-22.0.6+dfsg/tests and 5.4826 on output line 99028 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 3.99303 on reference line 99032 in /build/mopac-22.0.6+dfsg/tests and 3.99265 on output line 99028 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -0.389702 on reference line 99033 in /build/mopac-22.0.6+dfsg/tests and -0.390604 on output line 99029 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 5.3897 on reference line 99033 in /build/mopac-22.0.6+dfsg/tests and 5.3906 on output line 99029 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 3.87011 on reference line 99033 in /build/mopac-22.0.6+dfsg/tests and 3.87095 on output line 99029 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -0.373957 on reference line 99034 in /build/mopac-22.0.6+dfsg/tests and -0.374458 on output line 99030 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 5.374 on reference line 99034 in /build/mopac-22.0.6+dfsg/tests and 5.3745 on output line 99030 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 3.63099 on reference line 99034 in /build/mopac-22.0.6+dfsg/tests and 3.63147 on output line 99030 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 0.426562 on reference line 99035 in /build/mopac-22.0.6+dfsg/tests and 0.426977 on output line 99031 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 3.5734 on reference line 99035 in /build/mopac-22.0.6+dfsg/tests and 3.573 on output line 99031 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 2.48661 on reference line 99035 in /build/mopac-22.0.6+dfsg/tests and 2.48615 on output line 99031 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -0.314501 on reference line 99036 in /build/mopac-22.0.6+dfsg/tests and -0.314382 on output line 99032 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 3.27639 on reference line 99036 in /build/mopac-22.0.6+dfsg/tests and 3.27623 on output line 99032 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -0.046333 on reference line 99037 in /build/mopac-22.0.6+dfsg/tests and -0.046467 on output line 99033 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 4.0463 on reference line 99037 in /build/mopac-22.0.6+dfsg/tests and 4.0465 on output line 99033 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 2.96983 on reference line 99037 in /build/mopac-22.0.6+dfsg/tests and 2.96997 on output line 99033 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -0.30898 on reference line 99038 in /build/mopac-22.0.6+dfsg/tests and -0.308858 on output line 99034 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 3.25297 on reference line 99038 in /build/mopac-22.0.6+dfsg/tests and 3.25283 on output line 99034 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -0.193265 on reference line 99040 in /build/mopac-22.0.6+dfsg/tests and -0.193147 on output line 99036 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 4.1933 on reference line 99040 in /build/mopac-22.0.6+dfsg/tests and 4.1931 on output line 99036 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 3.12994 on reference line 99040 in /build/mopac-22.0.6+dfsg/tests and 3.12981 on output line 99036 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 3.562 on reference line 99041 in /build/mopac-22.0.6+dfsg/tests and 3.5621 on output line 99037 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -0.643517 on reference line 99042 in /build/mopac-22.0.6+dfsg/tests and -0.643353 on output line 99038 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 6.6435 on reference line 99042 in /build/mopac-22.0.6+dfsg/tests and 6.6434 on output line 99038 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 4.71092 on reference line 99042 in /build/mopac-22.0.6+dfsg/tests and 4.71075 on output line 99038 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 3.9267 on reference line 99043 in /build/mopac-22.0.6+dfsg/tests and 3.9268 on output line 99039 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 0.339838 on reference line 99052 in /build/mopac-22.0.6+dfsg/tests and 0.33971 on output line 99048 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 0.66016 on reference line 99052 in /build/mopac-22.0.6+dfsg/tests and 0.66029 on output line 99048 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 0.8604 on reference line 99057 in /build/mopac-22.0.6+dfsg/tests and 0.8603 on output line 99053 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 1.13 on reference line 99065 in /build/mopac-22.0.6+dfsg/tests and 1.134 on output line 99061 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 23.622 on reference line 99065 in /build/mopac-22.0.6+dfsg/tests and 23.611 on output line 99061 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -4.024 on reference line 99065 in /build/mopac-22.0.6+dfsg/tests and -4.018 on output line 99061 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 23.989 on reference line 99065 in /build/mopac-22.0.6+dfsg/tests and 23.977 on output line 99061 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 0.724 on reference line 99066 in /build/mopac-22.0.6+dfsg/tests and 0.727 on output line 99062 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -0.007 on reference line 99066 in /build/mopac-22.0.6+dfsg/tests and -0.03 on output line 99062 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 1.932 on reference line 99066 in /build/mopac-22.0.6+dfsg/tests and 1.933 on output line 99062 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 1.853 on reference line 99067 in /build/mopac-22.0.6+dfsg/tests and 1.862 on output line 99063 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 25.413 on reference line 99067 in /build/mopac-22.0.6+dfsg/tests and 25.402 on output line 99063 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -4.031 on reference line 99067 in /build/mopac-22.0.6+dfsg/tests and -4.048 on output line 99063 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 25.798 on reference line 99067 in /build/mopac-22.0.6+dfsg/tests and 25.79 on output line 99063 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 0.98119 on reference line 99073 in /build/mopac-22.0.6+dfsg/tests and 0.981 on output line 99069 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 1.27532 on reference line 99073 in /build/mopac-22.0.6+dfsg/tests and 1.27516 on output line 99069 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 1.07956 on reference line 99074 in /build/mopac-22.0.6+dfsg/tests and 1.07936 on output line 99070 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 1.09276 on reference line 99074 in /build/mopac-22.0.6+dfsg/tests and 1.09351 on output line 99070 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 1.78301 on reference line 99075 in /build/mopac-22.0.6+dfsg/tests and 1.78357 on output line 99071 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 1.35881 on reference line 99075 in /build/mopac-22.0.6+dfsg/tests and 1.35817 on output line 99071 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 1.97289 on reference line 99075 in /build/mopac-22.0.6+dfsg/tests and 1.97305 on output line 99071 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 1.04961 on reference line 99076 in /build/mopac-22.0.6+dfsg/tests and 1.04901 on output line 99072 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 1.04344 on reference line 99077 in /build/mopac-22.0.6+dfsg/tests and 1.04374 on output line 99073 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 1.00674 on reference line 99077 in /build/mopac-22.0.6+dfsg/tests and 1.00699 on output line 99073 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 1.03871 on reference line 99077 in /build/mopac-22.0.6+dfsg/tests and 1.03693 on output line 99073 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 0.91733 on reference line 99078 in /build/mopac-22.0.6+dfsg/tests and 0.91705 on output line 99074 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 0.99842 on reference line 99078 in /build/mopac-22.0.6+dfsg/tests and 0.99784 on output line 99074 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 1.07559 on reference line 99079 in /build/mopac-22.0.6+dfsg/tests and 1.07533 on output line 99075 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 0.94902 on reference line 99079 in /build/mopac-22.0.6+dfsg/tests and 0.94887 on output line 99075 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 0.95977 on reference line 99079 in /build/mopac-22.0.6+dfsg/tests and 0.96211 on output line 99075 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 0.79474 on reference line 99080 in /build/mopac-22.0.6+dfsg/tests and 0.79459 on output line 99076 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 0.76485 on reference line 99080 in /build/mopac-22.0.6+dfsg/tests and 0.7647 on output line 99076 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 1.3943 on reference line 99082 in /build/mopac-22.0.6+dfsg/tests and 1.39406 on output line 99078 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 1.57969 on reference line 99083 in /build/mopac-22.0.6+dfsg/tests and 1.58049 on output line 99079 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 1.34035 on reference line 99084 in /build/mopac-22.0.6+dfsg/tests and 1.34022 on output line 99080 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 1.25539 on reference line 99084 in /build/mopac-22.0.6+dfsg/tests and 1.25596 on output line 99080 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 0.82556 on reference line 99085 in /build/mopac-22.0.6+dfsg/tests and 0.82521 on output line 99081 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 1.21579 on reference line 99086 in /build/mopac-22.0.6+dfsg/tests and 1.21566 on output line 99082 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 1.45748 on reference line 99092 in /build/mopac-22.0.6+dfsg/tests and 1.45736 on output line 99088 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 0.66016 on reference line 99102 in /build/mopac-22.0.6+dfsg/tests and 0.66029 on output line 99098 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between 337.67561 on reference line 99278 in /build/mopac-22.0.6+dfsg/tests and 337.67158 on output line 99274 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 1412.83475 on reference line 99278 in /build/mopac-22.0.6+dfsg/tests and 1412.81789 on output line 99274 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -137.13407 on reference line 99669 in /build/mopac-22.0.6+dfsg/tests and -137.13838 on output line 99665 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -573.76896 on reference line 99669 in /build/mopac-22.0.6+dfsg/tests and -573.78697 on output line 99665 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 0.408 on reference line 99858 in /build/mopac-22.0.6+dfsg/tests and 0.407 on output line 99854 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 4.496 on reference line 99858 in /build/mopac-22.0.6+dfsg/tests and 4.497 on output line 99854 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -226.48297 on reference line 102524 in /build/mopac-22.0.6+dfsg/tests and -226.4837 on output line 102520 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -947.60476 on reference line 102524 in /build/mopac-22.0.6+dfsg/tests and -947.60779 on output line 102520 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -91.62756 on reference line 102759 in /build/mopac-22.0.6+dfsg/tests and -91.62844 on output line 102755 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -383.3697 on reference line 102759 in /build/mopac-22.0.6+dfsg/tests and -383.37341 on output line 102755 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -12.736458 on reference line 102805 in /build/mopac-22.0.6+dfsg/tests and -12.736569 on output line 102801 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -48.831389 on reference line 102806 in /build/mopac-22.0.6+dfsg/tests and -48.831503 on output line 102802 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -2.548352 on reference line 102807 in /build/mopac-22.0.6+dfsg/tests and -2.548537 on output line 102803 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -12.896129 on reference line 102809 in /build/mopac-22.0.6+dfsg/tests and -12.896269 on output line 102805 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -28.692321 on reference line 102818 in /build/mopac-22.0.6+dfsg/tests and -28.692528 on output line 102814 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -76.580717 on reference line 102824 in /build/mopac-22.0.6+dfsg/tests and -76.580869 on output line 102820 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -93.61453 on reference line 103016 in /build/mopac-22.0.6+dfsg/tests and -93.61541 on output line 103012 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -391.68318 on reference line 103016 in /build/mopac-22.0.6+dfsg/tests and -391.68689 on output line 103012 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -12.736324 on reference line 103062 in /build/mopac-22.0.6+dfsg/tests and -12.735625 on output line 103058 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -48.81069 on reference line 103063 in /build/mopac-22.0.6+dfsg/tests and -48.810804 on output line 103059 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -2.508702 on reference line 103064 in /build/mopac-22.0.6+dfsg/tests and -2.508888 on output line 103060 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -10.223661 on reference line 103066 in /build/mopac-22.0.6+dfsg/tests and -10.223798 on output line 103062 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -8.77697 on reference line 103074 in /build/mopac-22.0.6+dfsg/tests and -8.773786 on output line 103070 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -28.708747 on reference line 103075 in /build/mopac-22.0.6+dfsg/tests and -28.711459 on output line 103071 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -14.796799 on reference line 103076 in /build/mopac-22.0.6+dfsg/tests and -14.782399 on output line 103072 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -5.341998 on reference line 103077 in /build/mopac-22.0.6+dfsg/tests and -5.341219 on output line 103073 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 15.302844 on reference line 103078 in /build/mopac-22.0.6+dfsg/tests and 15.302669 on output line 103074 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -3.95661 on reference line 103079 in /build/mopac-22.0.6+dfsg/tests and -3.952412 on output line 103075 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -55.399765 on reference line 103080 in /build/mopac-22.0.6+dfsg/tests and -55.398657 on output line 103076 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -73.067523 on reference line 103081 in /build/mopac-22.0.6+dfsg/tests and -73.065213 on output line 103077 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -3.562087 on reference line 103082 in /build/mopac-22.0.6+dfsg/tests and -3.558406 on output line 103078 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 30.118232 on reference line 103086 in /build/mopac-22.0.6+dfsg/tests and 30.117095 on output line 103082 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -40.748661 on reference line 103087 in /build/mopac-22.0.6+dfsg/tests and -40.74791 on output line 103083 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -0.782733 on reference line 103088 in /build/mopac-22.0.6+dfsg/tests and -0.781377 on output line 103084 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 14.719046 on reference line 103089 in /build/mopac-22.0.6+dfsg/tests and 14.718917 on output line 103085 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 29.162845 on reference line 103090 in /build/mopac-22.0.6+dfsg/tests and 29.164265 on output line 103086 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -1.978367 on reference line 103091 in /build/mopac-22.0.6+dfsg/tests and -1.977429 on output line 103087 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between 1031.03349 on reference line 103269 in /build/mopac-22.0.6+dfsg/tests and 1031.03406 on output line 103265 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 4313.84412 on reference line 103269 in /build/mopac-22.0.6+dfsg/tests and 4313.84649 on output line 103265 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -470.041006 on reference line 103326 in /build/mopac-22.0.6+dfsg/tests and -470.04139 on output line 103322 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -470.0429 on reference line 103329 in /build/mopac-22.0.6+dfsg/tests and -470.043285 on output line 103325 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -470.036539 on reference line 103332 in /build/mopac-22.0.6+dfsg/tests and -470.036921 on output line 103328 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -470.046008 on reference line 103335 in /build/mopac-22.0.6+dfsg/tests and -470.046395 on output line 103331 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -470.038433 on reference line 103338 in /build/mopac-22.0.6+dfsg/tests and -470.038817 on output line 103334 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -470.033433 on reference line 103341 in /build/mopac-22.0.6+dfsg/tests and -470.033812 on output line 103337 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between 1031.03349 on reference line 103509 in /build/mopac-22.0.6+dfsg/tests and 1031.03406 on output line 103505 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 4313.84412 on reference line 103509 in /build/mopac-22.0.6+dfsg/tests and 4313.84649 on output line 103505 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -470.039709 on reference line 103566 in /build/mopac-22.0.6+dfsg/tests and -470.040324 on output line 103562 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 0.004658 on reference line 103567 in /build/mopac-22.0.6+dfsg/tests and 0.004902 on output line 103563 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -470.038346 on reference line 103569 in /build/mopac-22.0.6+dfsg/tests and -470.038899 on output line 103565 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -0.006162 on reference line 103570 in /build/mopac-22.0.6+dfsg/tests and -0.00643 on output line 103566 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -470.038717 on reference line 103572 in /build/mopac-22.0.6+dfsg/tests and -470.039287 on output line 103568 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 0.004101 on reference line 103573 in /build/mopac-22.0.6+dfsg/tests and 0.004289 on output line 103569 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -470.039406 on reference line 103575 in /build/mopac-22.0.6+dfsg/tests and -470.040007 on output line 103571 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -0.006725 on reference line 103576 in /build/mopac-22.0.6+dfsg/tests and -0.007031 on output line 103572 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -470.03736 on reference line 103578 in /build/mopac-22.0.6+dfsg/tests and -470.03787 on output line 103574 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 0.005494 on reference line 103579 in /build/mopac-22.0.6+dfsg/tests and 0.005765 on output line 103575 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -470.037633 on reference line 103581 in /build/mopac-22.0.6+dfsg/tests and -470.038153 on output line 103577 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between 1031.03349 on reference line 103746 in /build/mopac-22.0.6+dfsg/tests and 1031.03406 on output line 103742 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between 4313.84414 on reference line 103746 in /build/mopac-22.0.6+dfsg/tests and 4313.84651 on output line 103742 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -332.369317 on reference line 103788 in /build/mopac-22.0.6+dfsg/tests and -332.369586 on output line 103784 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -664.737314 on reference line 103789 in /build/mopac-22.0.6+dfsg/tests and -664.737851 on output line 103785 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -870.801926 on reference line 103790 in /build/mopac-22.0.6+dfsg/tests and -870.802633 on output line 103786 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -870.800721 on reference line 103792 in /build/mopac-22.0.6+dfsg/tests and -870.801426 on output line 103788 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -470.037275 on reference line 103794 in /build/mopac-22.0.6+dfsg/tests and -470.037656 on output line 103790 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -470.039788 on reference line 103797 in /build/mopac-22.0.6+dfsg/tests and -470.040169 on output line 103793 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -470.042447 on reference line 103800 in /build/mopac-22.0.6+dfsg/tests and -470.042827 on output line 103796 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -112.31816 on reference line 103950 in /build/mopac-22.0.6+dfsg/tests and -112.31852 on output line 103946 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -469.9392 on reference line 103950 in /build/mopac-22.0.6+dfsg/tests and -469.94068 on output line 103946 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -113.28097 on reference line 104147 in /build/mopac-22.0.6+dfsg/tests and -113.28132 on output line 104143 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -473.96757 on reference line 104147 in /build/mopac-22.0.6+dfsg/tests and -473.96905 on output line 104143 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -95.11104 on reference line 104394 in /build/mopac-22.0.6+dfsg/tests and -95.11336 on output line 104390 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -397.94459 on reference line 104394 in /build/mopac-22.0.6+dfsg/tests and -397.95431 on output line 104390 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -92.48888 on reference line 104828 in /build/mopac-22.0.6+dfsg/tests and -92.49121 on output line 104824 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -386.97348 on reference line 104828 in /build/mopac-22.0.6+dfsg/tests and -386.98321 on output line 104824 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -37.03561 on reference line 105263 in /build/mopac-22.0.6+dfsg/tests and -37.03828 on output line 105259 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -154.957 on reference line 105263 in /build/mopac-22.0.6+dfsg/tests and -154.96816 on output line 105259 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical heat mismatch between -218.24224 on reference line 105649 in /build/mopac-22.0.6+dfsg/tests and -218.24262 on output line 105645 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +1: WARNING: numerical mismatch between -913.12555 on reference line 105649 in /build/mopac-22.0.6+dfsg/tests and -913.12714 on output line 105645 in /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/mopac +116/118 Test #1: port ............................. Passed 61.59 sec 3: 3: -3: MOPAC Job: "test_Lewis_for_Proteins.mop" ended normally on Jun 1, 2023, at 17:22. +3: MOPAC Job: "test_Lewis_for_Proteins.mop" ended normally on Jul 5, 2024, at 01:49. 3: -117/118 Test #3: mozyme ........................... Passed 113.00 sec +117/118 Test #3: mozyme ........................... Passed 83.17 sec 2: 2: -2: MOPAC Job: "Crambin_1SCF.mop" ended normally on Jun 1, 2023, at 17:23. +2: MOPAC Job: "Crambin_1SCF.mop" ended normally on Jul 5, 2024, at 01:51. 2: -118/118 Test #2: crambin .......................... Passed 147.51 sec +118/118 Test #2: crambin .......................... Passed 143.39 sec 100% tests passed, 0 tests failed out of 118 -Total Test time (real) = 147.58 sec +Total Test time (real) = 143.52 sec make[1]: Leaving directory '/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu' create-stamp debian/debhelper-build-stamp fakeroot debian/rules binary @@ -4677,7 +4586,7 @@ debian/rules override_dh_auto_install make[1]: Entering directory '/build/mopac-22.0.6+dfsg' dh_auto_install - cd obj-x86_64-linux-gnu && make -j15 install DESTDIR=/build/mopac-22.0.6\+dfsg/debian/mopac AM_UPDATE_INFO_DIR=no + cd obj-x86_64-linux-gnu && make -j16 install DESTDIR=/build/mopac-22.0.6\+dfsg/debian/mopac AM_UPDATE_INFO_DIR=no make[2]: Entering directory '/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu' /usr/bin/cmake -S/build/mopac-22.0.6+dfsg -B/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu --check-build-system CMakeFiles/Makefile.cmake 0 /usr/bin/cmake -E cmake_progress_start /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu/CMakeFiles /build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu//CMakeFiles/progress.marks @@ -4701,8 +4610,8 @@ make[4]: Leaving directory '/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu' make -f CMakeFiles/mopac.dir/build.make CMakeFiles/mopac.dir/build make[4]: Leaving directory '/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu' -make[4]: Entering directory '/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu' make -f CMakeFiles/mopac-param.dir/build.make CMakeFiles/mopac-param.dir/build +make[4]: Entering directory '/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu' make[4]: Nothing to be done for 'CMakeFiles/mopac.dir/build'. make[4]: Leaving directory '/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu' make[4]: Entering directory '/build/mopac-22.0.6+dfsg/obj-x86_64-linux-gnu' @@ -4752,12 +4661,14 @@ 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/3700795/tmp/hooks/B01_cleanup starting +I: user script /srv/workspace/pbuilder/3700795/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/1570434 and its subdirectories -I: Current time: Thu Jun 1 17:24:04 -12 2023 -I: pbuilder-time-stamp: 1685683445 +I: removing directory /srv/workspace/pbuilder/3700795 and its subdirectories +I: Current time: Fri Jul 5 01:51:59 +14 2024 +I: pbuilder-time-stamp: 1720093919