Diff of the two buildlogs: -- --- b1/build.log 2020-08-02 14:41:14.169235161 +0000 +++ b2/build.log 2020-08-02 22:05:49.753905493 +0000 @@ -1,6 +1,6 @@ I: pbuilder: network access will be disabled during build -I: Current time: Sat Sep 4 01:44:00 -12 2021 -I: pbuilder-time-stamp: 1630763041 +I: Current time: Mon Aug 3 04:41:35 +14 2020 +I: pbuilder-time-stamp: 1596379295 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/buster-reproducible-base.tgz] I: copying local configuration @@ -17,7 +17,7 @@ I: Extracting source gpgv: unknown type of key resource 'trustedkeys.kbx' gpgv: keyblock resource '/var/lib/jenkins/.gnupg/trustedkeys.kbx': General error -gpgv: Signature made Mon Dec 31 23:20:19 2018 -12 +gpgv: Signature made Wed Jan 2 01:20:19 2019 +14 gpgv: using RSA key 9CA877749FAB2E4FA96862ECDC686A27B43481B0 gpgv: Can't check signature: No public key dpkg-source: warning: failed to verify signature on ./bagel_1.2.2-1.dsc @@ -28,136 +28,170 @@ dpkg-source: info: applying skip_failing_testcases.patch I: using fakeroot in build. I: Installing the build-deps -I: user script /srv/workspace/pbuilder/10903/tmp/hooks/D02_print_environment starting +I: user script /srv/workspace/pbuilder/24433/tmp/hooks/D01_modify_environment starting +debug: Running on codethink-sled10-arm64. +I: Changing host+domainname to test build reproducibility +I: Adding a custom variable just for the fun of it... +I: Changing /bin/sh to bash +Removing 'diversion of /bin/sh to /bin/sh.distrib by dash' +Adding 'diversion of /bin/sh to /bin/sh.distrib by bash' +Removing 'diversion of /usr/share/man/man1/sh.1.gz to /usr/share/man/man1/sh.distrib.1.gz by dash' +Adding 'diversion of /usr/share/man/man1/sh.1.gz to /usr/share/man/man1/sh.distrib.1.gz by 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/24433/tmp/hooks/D01_modify_environment finished +I: user script /srv/workspace/pbuilder/24433/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='arm64' - DEBIAN_FRONTEND='noninteractive' + BASH=/bin/sh + BASHOPTS=checkwinsize:cmdhist:complete_fullquote:extquote:force_fignore:globasciiranges:hostcomplete:interactive_comments:progcomp:promptvars:sourcepath + BASH_ALIASES=() + BASH_ARGC=() + BASH_ARGV=() + BASH_CMDS=() + BASH_LINENO=([0]="12" [1]="0") + BASH_SOURCE=([0]="/tmp/hooks/D02_print_environment" [1]="/tmp/hooks/D02_print_environment") + BASH_VERSINFO=([0]="5" [1]="0" [2]="3" [3]="1" [4]="release" [5]="aarch64-unknown-linux-gnu") + BASH_VERSION='5.0.3(1)-release' + BUILDDIR=/build + BUILDUSERGECOS='second user,second room,second work-phone,second home-phone,second other' + BUILDUSERNAME=pbuilder2 + BUILD_ARCH=arm64 + DEBIAN_FRONTEND=noninteractive DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=8' - DISTRIBUTION='' - HOME='/var/lib/jenkins' - HOST_ARCH='arm64' + DIRSTACK=() + DISTRIBUTION= + EUID=0 + FUNCNAME=([0]="Echo" [1]="main") + GROUPS=() + HOME=/var/lib/jenkins + HOSTNAME=i-capture-the-hostname + HOSTTYPE=aarch64 + HOST_ARCH=arm64 IFS=' ' - 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='10903' - PS1='# ' - PS2='> ' + LANG=C + LANGUAGE=nl_BE:nl + LC_ALL=C + MACHTYPE=aarch64-unknown-linux-gnu + MAIL=/var/mail/root + OPTERR=1 + OPTIND=1 + OSTYPE=linux-gnu + PATH=/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path + PBCURRENTCOMMANDLINEOPERATION=build + PBUILDER_OPERATION=build + PBUILDER_PKGDATADIR=/usr/share/pbuilder + PBUILDER_PKGLIBDIR=/usr/lib/pbuilder + PBUILDER_SYSCONFDIR=/etc + PIPESTATUS=([0]="0") + POSIXLY_CORRECT=y + PPID=24433 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/tmp.ZT2DgTtPw1/pbuilderrc_Ft6q --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/buster-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/tmp.ZT2DgTtPw1/b1 --logfile b1/build.log bagel_1.2.2-1.dsc' - SUDO_GID='117' - SUDO_UID='110' - SUDO_USER='jenkins' - TERM='unknown' - TZ='/usr/share/zoneinfo/Etc/GMT+12' - USER='root' - USERNAME='root' - _='/usr/bin/systemd-run' - http_proxy='http://192.168.101.16:3128' + 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/tmp.ZT2DgTtPw1/pbuilderrc_k6Q2 --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/buster-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/tmp.ZT2DgTtPw1/b2 --logfile b2/build.log bagel_1.2.2-1.dsc' + SUDO_GID=117 + SUDO_UID=110 + SUDO_USER=jenkins + TERM=unknown + TZ=/usr/share/zoneinfo/Etc/GMT-14 + UID=0 + USER=root + USERNAME=root + _='I: set' + http_proxy=http://192.168.101.16:3128 I: uname -a - Linux codethink-sled11-arm64 4.4.0-186-generic #216-Ubuntu SMP Wed Jul 1 05:35:21 UTC 2020 aarch64 GNU/Linux + Linux i-capture-the-hostname 4.4.0-186-generic #216-Ubuntu SMP Wed Jul 1 05:35:21 UTC 2020 aarch64 GNU/Linux I: ls -l /bin total 4928 - -rwxr-xr-x 1 root root 1216928 Apr 17 2019 bash - -rwxr-xr-x 3 root root 34808 Jul 10 2019 bunzip2 - -rwxr-xr-x 3 root root 34808 Jul 10 2019 bzcat - lrwxrwxrwx 1 root root 6 Jul 10 2019 bzcmp -> bzdiff - -rwxr-xr-x 1 root root 2227 Jul 10 2019 bzdiff - lrwxrwxrwx 1 root root 6 Jul 10 2019 bzegrep -> bzgrep - -rwxr-xr-x 1 root root 4877 Jun 24 2019 bzexe - lrwxrwxrwx 1 root root 6 Jul 10 2019 bzfgrep -> bzgrep - -rwxr-xr-x 1 root root 3641 Jul 10 2019 bzgrep - -rwxr-xr-x 3 root root 34808 Jul 10 2019 bzip2 - -rwxr-xr-x 1 root root 14264 Jul 10 2019 bzip2recover - lrwxrwxrwx 1 root root 6 Jul 10 2019 bzless -> bzmore - -rwxr-xr-x 1 root root 1297 Jul 10 2019 bzmore - -rwxr-xr-x 1 root root 35576 Feb 28 2019 cat - -rwxr-xr-x 1 root root 60256 Feb 28 2019 chgrp - -rwxr-xr-x 1 root root 56096 Feb 28 2019 chmod - -rwxr-xr-x 1 root root 64368 Feb 28 2019 chown - -rwxr-xr-x 1 root root 134632 Feb 28 2019 cp - -rwxr-xr-x 1 root root 129536 Jan 17 2019 dash - -rwxr-xr-x 1 root root 97136 Feb 28 2019 date - -rwxr-xr-x 1 root root 76736 Feb 28 2019 dd - -rwxr-xr-x 1 root root 93752 Feb 28 2019 df - -rwxr-xr-x 1 root root 138848 Feb 28 2019 dir - -rwxr-xr-x 1 root root 75984 Jan 9 2019 dmesg - lrwxrwxrwx 1 root root 8 Sep 26 2018 dnsdomainname -> hostname - lrwxrwxrwx 1 root root 8 Sep 26 2018 domainname -> hostname - -rwxr-xr-x 1 root root 31368 Feb 28 2019 echo - -rwxr-xr-x 1 root root 28 Jan 7 2019 egrep - -rwxr-xr-x 1 root root 27256 Feb 28 2019 false - -rwxr-xr-x 1 root root 28 Jan 7 2019 fgrep - -rwxr-xr-x 1 root root 68792 Jan 9 2019 findmnt - -rwsr-xr-x 1 root root 34824 Apr 22 2020 fusermount - -rwxr-xr-x 1 root root 174304 Jan 7 2019 grep - -rwxr-xr-x 2 root root 2345 Jan 5 2019 gunzip - -rwxr-xr-x 1 root root 6375 Jan 5 2019 gzexe - -rwxr-xr-x 1 root root 89656 Jan 5 2019 gzip - -rwxr-xr-x 1 root root 18440 Sep 26 2018 hostname - -rwxr-xr-x 1 root root 64472 Feb 28 2019 ln - -rwxr-xr-x 1 root root 52544 Jul 26 2018 login - -rwxr-xr-x 1 root root 138848 Feb 28 2019 ls - -rwxr-xr-x 1 root root 108552 Jan 9 2019 lsblk - -rwxr-xr-x 1 root root 76840 Feb 28 2019 mkdir - -rwxr-xr-x 1 root root 64480 Feb 28 2019 mknod - -rwxr-xr-x 1 root root 39736 Feb 28 2019 mktemp - -rwxr-xr-x 1 root root 38840 Jan 9 2019 more - -rwsr-xr-x 1 root root 47112 Jan 9 2019 mount - -rwxr-xr-x 1 root root 14344 Jan 9 2019 mountpoint - -rwxr-xr-x 1 root root 138736 Feb 28 2019 mv - lrwxrwxrwx 1 root root 8 Sep 26 2018 nisdomainname -> hostname - lrwxrwxrwx 1 root root 14 Feb 14 2019 pidof -> /sbin/killall5 - -rwxr-xr-x 1 root root 35560 Feb 28 2019 pwd - lrwxrwxrwx 1 root root 4 Apr 17 2019 rbash -> bash - -rwxr-xr-x 1 root root 43712 Feb 28 2019 readlink - -rwxr-xr-x 1 root root 68440 Feb 28 2019 rm - -rwxr-xr-x 1 root root 39624 Feb 28 2019 rmdir - -rwxr-xr-x 1 root root 19144 Jan 21 2019 run-parts - -rwxr-xr-x 1 root root 114016 Dec 22 2018 sed - lrwxrwxrwx 1 root root 4 Sep 3 02:48 sh -> dash - -rwxr-xr-x 1 root root 31384 Feb 28 2019 sleep - -rwxr-xr-x 1 root root 72480 Feb 28 2019 stty - -rwsr-xr-x 1 root root 59424 Jan 9 2019 su - -rwxr-xr-x 1 root root 31416 Feb 28 2019 sync - -rwxr-xr-x 1 root root 449416 Apr 23 2019 tar - -rwxr-xr-x 1 root root 10560 Jan 21 2019 tempfile - -rwxr-xr-x 1 root root 88968 Feb 28 2019 touch - -rwxr-xr-x 1 root root 27256 Feb 28 2019 true - -rwxr-xr-x 1 root root 14264 Apr 22 2020 ulockmgr_server - -rwsr-xr-x 1 root root 30728 Jan 9 2019 umount - -rwxr-xr-x 1 root root 31384 Feb 28 2019 uname - -rwxr-xr-x 2 root root 2345 Jan 5 2019 uncompress - -rwxr-xr-x 1 root root 138848 Feb 28 2019 vdir - -rwxr-xr-x 1 root root 34824 Jan 9 2019 wdctl - -rwxr-xr-x 1 root root 946 Jan 21 2019 which - lrwxrwxrwx 1 root root 8 Sep 26 2018 ypdomainname -> hostname - -rwxr-xr-x 1 root root 1983 Jan 5 2019 zcat - -rwxr-xr-x 1 root root 1677 Jan 5 2019 zcmp - -rwxr-xr-x 1 root root 5879 Jan 5 2019 zdiff - -rwxr-xr-x 1 root root 29 Jan 5 2019 zegrep - -rwxr-xr-x 1 root root 29 Jan 5 2019 zfgrep - -rwxr-xr-x 1 root root 2080 Jan 5 2019 zforce - -rwxr-xr-x 1 root root 7584 Jan 5 2019 zgrep - -rwxr-xr-x 1 root root 2205 Jan 5 2019 zless - -rwxr-xr-x 1 root root 1841 Jan 5 2019 zmore - -rwxr-xr-x 1 root root 4552 Jan 5 2019 znew -I: user script /srv/workspace/pbuilder/10903/tmp/hooks/D02_print_environment finished + -rwxr-xr-x 1 root root 1216928 Apr 18 2019 bash + -rwxr-xr-x 3 root root 34808 Jul 11 2019 bunzip2 + -rwxr-xr-x 3 root root 34808 Jul 11 2019 bzcat + lrwxrwxrwx 1 root root 6 Jul 11 2019 bzcmp -> bzdiff + -rwxr-xr-x 1 root root 2227 Jul 11 2019 bzdiff + lrwxrwxrwx 1 root root 6 Jul 11 2019 bzegrep -> bzgrep + -rwxr-xr-x 1 root root 4877 Jun 25 2019 bzexe + lrwxrwxrwx 1 root root 6 Jul 11 2019 bzfgrep -> bzgrep + -rwxr-xr-x 1 root root 3641 Jul 11 2019 bzgrep + -rwxr-xr-x 3 root root 34808 Jul 11 2019 bzip2 + -rwxr-xr-x 1 root root 14264 Jul 11 2019 bzip2recover + lrwxrwxrwx 1 root root 6 Jul 11 2019 bzless -> bzmore + -rwxr-xr-x 1 root root 1297 Jul 11 2019 bzmore + -rwxr-xr-x 1 root root 35576 Mar 1 2019 cat + -rwxr-xr-x 1 root root 60256 Mar 1 2019 chgrp + -rwxr-xr-x 1 root root 56096 Mar 1 2019 chmod + -rwxr-xr-x 1 root root 64368 Mar 1 2019 chown + -rwxr-xr-x 1 root root 134632 Mar 1 2019 cp + -rwxr-xr-x 1 root root 129536 Jan 18 2019 dash + -rwxr-xr-x 1 root root 97136 Mar 1 2019 date + -rwxr-xr-x 1 root root 76736 Mar 1 2019 dd + -rwxr-xr-x 1 root root 93752 Mar 1 2019 df + -rwxr-xr-x 1 root root 138848 Mar 1 2019 dir + -rwxr-xr-x 1 root root 75984 Jan 10 2019 dmesg + lrwxrwxrwx 1 root root 8 Sep 27 2018 dnsdomainname -> hostname + lrwxrwxrwx 1 root root 8 Sep 27 2018 domainname -> hostname + -rwxr-xr-x 1 root root 31368 Mar 1 2019 echo + -rwxr-xr-x 1 root root 28 Jan 8 2019 egrep + -rwxr-xr-x 1 root root 27256 Mar 1 2019 false + -rwxr-xr-x 1 root root 28 Jan 8 2019 fgrep + -rwxr-xr-x 1 root root 68792 Jan 10 2019 findmnt + -rwsr-xr-x 1 root root 34824 Apr 23 09:38 fusermount + -rwxr-xr-x 1 root root 174304 Jan 8 2019 grep + -rwxr-xr-x 2 root root 2345 Jan 6 2019 gunzip + -rwxr-xr-x 1 root root 6375 Jan 6 2019 gzexe + -rwxr-xr-x 1 root root 89656 Jan 6 2019 gzip + -rwxr-xr-x 1 root root 18440 Sep 27 2018 hostname + -rwxr-xr-x 1 root root 64472 Mar 1 2019 ln + -rwxr-xr-x 1 root root 52544 Jul 27 2018 login + -rwxr-xr-x 1 root root 138848 Mar 1 2019 ls + -rwxr-xr-x 1 root root 108552 Jan 10 2019 lsblk + -rwxr-xr-x 1 root root 76840 Mar 1 2019 mkdir + -rwxr-xr-x 1 root root 64480 Mar 1 2019 mknod + -rwxr-xr-x 1 root root 39736 Mar 1 2019 mktemp + -rwxr-xr-x 1 root root 38840 Jan 10 2019 more + -rwsr-xr-x 1 root root 47112 Jan 10 2019 mount + -rwxr-xr-x 1 root root 14344 Jan 10 2019 mountpoint + -rwxr-xr-x 1 root root 138736 Mar 1 2019 mv + lrwxrwxrwx 1 root root 8 Sep 27 2018 nisdomainname -> hostname + lrwxrwxrwx 1 root root 14 Feb 15 2019 pidof -> /sbin/killall5 + -rwxr-xr-x 1 root root 35560 Mar 1 2019 pwd + lrwxrwxrwx 1 root root 4 Apr 18 2019 rbash -> bash + -rwxr-xr-x 1 root root 43712 Mar 1 2019 readlink + -rwxr-xr-x 1 root root 68440 Mar 1 2019 rm + -rwxr-xr-x 1 root root 39624 Mar 1 2019 rmdir + -rwxr-xr-x 1 root root 19144 Jan 22 2019 run-parts + -rwxr-xr-x 1 root root 114016 Dec 23 2018 sed + lrwxrwxrwx 1 root root 4 Aug 3 04:41 sh -> bash + lrwxrwxrwx 1 root root 4 Aug 1 22:25 sh.distrib -> dash + -rwxr-xr-x 1 root root 31384 Mar 1 2019 sleep + -rwxr-xr-x 1 root root 72480 Mar 1 2019 stty + -rwsr-xr-x 1 root root 59424 Jan 10 2019 su + -rwxr-xr-x 1 root root 31416 Mar 1 2019 sync + -rwxr-xr-x 1 root root 449416 Apr 24 2019 tar + -rwxr-xr-x 1 root root 10560 Jan 22 2019 tempfile + -rwxr-xr-x 1 root root 88968 Mar 1 2019 touch + -rwxr-xr-x 1 root root 27256 Mar 1 2019 true + -rwxr-xr-x 1 root root 14264 Apr 23 09:38 ulockmgr_server + -rwsr-xr-x 1 root root 30728 Jan 10 2019 umount + -rwxr-xr-x 1 root root 31384 Mar 1 2019 uname + -rwxr-xr-x 2 root root 2345 Jan 6 2019 uncompress + -rwxr-xr-x 1 root root 138848 Mar 1 2019 vdir + -rwxr-xr-x 1 root root 34824 Jan 10 2019 wdctl + -rwxr-xr-x 1 root root 946 Jan 22 2019 which + lrwxrwxrwx 1 root root 8 Sep 27 2018 ypdomainname -> hostname + -rwxr-xr-x 1 root root 1983 Jan 6 2019 zcat + -rwxr-xr-x 1 root root 1677 Jan 6 2019 zcmp + -rwxr-xr-x 1 root root 5879 Jan 6 2019 zdiff + -rwxr-xr-x 1 root root 29 Jan 6 2019 zegrep + -rwxr-xr-x 1 root root 29 Jan 6 2019 zfgrep + -rwxr-xr-x 1 root root 2080 Jan 6 2019 zforce + -rwxr-xr-x 1 root root 7584 Jan 6 2019 zgrep + -rwxr-xr-x 1 root root 2205 Jan 6 2019 zless + -rwxr-xr-x 1 root root 1841 Jan 6 2019 zmore + -rwxr-xr-x 1 root root 4552 Jan 6 2019 znew +I: user script /srv/workspace/pbuilder/24433/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy @@ -319,7 +353,7 @@ Get: 104 http://deb.debian.org/debian buster/main arm64 libmpich-dev arm64 3.3-3 [1351 kB] Get: 105 http://deb.debian.org/debian buster/main arm64 libxc5 arm64 4.2.3-3 [2020 kB] Get: 106 http://deb.debian.org/debian buster/main arm64 libxc-dev arm64 4.2.3-3 [2696 kB] -Fetched 107 MB in 5s (20.4 MB/s) +Fetched 107 MB in 4s (26.5 MB/s) debconf: delaying package configuration, since apt-utils is not installed Selecting previously unselected package libbsd0:arm64. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 19168 files and directories currently installed.) @@ -779,7 +813,7 @@ fakeroot is already the newest version (1.23-1). 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. I: Building the package -I: Running cd /build/bagel-1.2.2/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-buildpackage -us -uc -b +I: Running cd /build/bagel-1.2.2/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-buildpackage -us -uc -b dpkg-buildpackage: info: source package bagel dpkg-buildpackage: info: source version 1.2.2-1 dpkg-buildpackage: info: source distribution unstable @@ -818,36 +852,36 @@ make[1]: Entering directory '/build/bagel-1.2.2' if [ -f /proc/meminfo ]; then cat /proc/meminfo; fi MemTotal: 65978528 kB -MemFree: 440756 kB -MemAvailable: 624632 kB -Buffers: 12004 kB -Cached: 57731904 kB -SwapCached: 55260 kB -Active: 60765060 kB -Inactive: 3731348 kB -Active(anon): 60734180 kB -Inactive(anon): 3532484 kB -Active(file): 30880 kB -Inactive(file): 198864 kB +MemFree: 59449664 kB +MemAvailable: 61780396 kB +Buffers: 189484 kB +Cached: 5540548 kB +SwapCached: 0 kB +Active: 3525200 kB +Inactive: 2408952 kB +Active(anon): 1464324 kB +Inactive(anon): 1920048 kB +Active(file): 2060876 kB +Inactive(file): 488904 kB Unevictable: 0 kB Mlocked: 0 kB SwapTotal: 63963132 kB -SwapFree: 48319284 kB -Dirty: 0 kB +SwapFree: 63963132 kB +Dirty: 112 kB Writeback: 0 kB -AnonPages: 6699552 kB -Mapped: 279912 kB -Shmem: 57512492 kB -Slab: 738208 kB -SReclaimable: 375860 kB -SUnreclaim: 362348 kB -KernelStack: 5984 kB -PageTables: 21300 kB +AnonPages: 202052 kB +Mapped: 100084 kB +Shmem: 3180256 kB +Slab: 318640 kB +SReclaimable: 202680 kB +SUnreclaim: 115960 kB +KernelStack: 3392 kB +PageTables: 2192 kB NFS_Unstable: 0 kB Bounce: 0 kB WritebackTmp: 0 kB CommitLimit: 96952396 kB -Committed_AS: 80265204 kB +Committed_AS: 3584012 kB VmallocTotal: 133142937536 kB VmallocUsed: 0 kB VmallocChunk: 0 kB @@ -1046,15 +1080,15 @@ make[4]: Entering directory '/build/bagel-1.2.2/src/util' Making all in parallel make[5]: Entering directory '/build/bagel-1.2.2/src/util/parallel' -/bin/bash ../../../libtool --tag=CXX --mode=compile mpicxx -DHAVE_CONFIG_H -I. -I../../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include -I../../.. -g1 -O2 -DNDEBUG -DZDOT_RETURN -c -o process.lo process.cc +/bin/sh ../../../libtool --tag=CXX --mode=compile mpicxx -DHAVE_CONFIG_H -I. -I../../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include -I../../.. -g1 -O2 -DNDEBUG -DZDOT_RETURN -c -o process.lo process.cc libtool: compile: mpicxx -DHAVE_CONFIG_H -I. -I../../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include -I../../.. -g1 -O2 -DNDEBUG -DZDOT_RETURN -c process.cc -o process.o -/bin/bash ../../../libtool --tag=CXX --mode=compile mpicxx -DHAVE_CONFIG_H -I. -I../../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include -I../../.. -g1 -O2 -DNDEBUG -DZDOT_RETURN -c -o mpi_interface.lo mpi_interface.cc +/bin/sh ../../../libtool --tag=CXX --mode=compile mpicxx -DHAVE_CONFIG_H -I. -I../../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include -I../../.. -g1 -O2 -DNDEBUG -DZDOT_RETURN -c -o mpi_interface.lo mpi_interface.cc libtool: compile: mpicxx -DHAVE_CONFIG_H -I. -I../../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include -I../../.. -g1 -O2 -DNDEBUG -DZDOT_RETURN -c mpi_interface.cc -o mpi_interface.o -/bin/bash ../../../libtool --tag=CXX --mode=compile mpicxx -DHAVE_CONFIG_H -I. -I../../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include -I../../.. -g1 -O2 -DNDEBUG -DZDOT_RETURN -c -o rmawindow.lo rmawindow.cc +/bin/sh ../../../libtool --tag=CXX --mode=compile mpicxx -DHAVE_CONFIG_H -I. -I../../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include -I../../.. -g1 -O2 -DNDEBUG -DZDOT_RETURN -c -o rmawindow.lo rmawindow.cc libtool: compile: mpicxx -DHAVE_CONFIG_H -I. -I../../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include -I../../.. -g1 -O2 -DNDEBUG -DZDOT_RETURN -c rmawindow.cc -o rmawindow.o -/bin/bash ../../../libtool --tag=CXX --mode=compile mpicxx -DHAVE_CONFIG_H -I. -I../../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include -I../../.. -g1 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rys/_eriroot_46.lo rys/_eriroot_47.lo rys/_eriroot_48.lo rys/_eriroot_49.lo rys/_eriroot_50.lo rys/_r2root_1.lo rys/_r2root_2.lo rys/_r2root_3.lo rys/_r2root_4.lo rys/_r2root_5.lo rys/_r2root_6.lo rys/_r2root_7.lo rys/_r2root_8.lo rys/_r2root_9.lo rys/_r2root_10.lo rys/_r2root_11.lo rys/_r2root_12.lo rys/_r2root_13.lo comprys/_complex_eriroot_1.lo comprys/_complex_eriroot_2.lo comprys/_complex_eriroot_3.lo comprys/_complex_eriroot_4.lo comprys/_complex_eriroot_5.lo comprys/_complex_eriroot_6.lo comprys/_complex_eriroot_7.lo comprys/_complex_eriroot_8.lo comprys/_complex_eriroot_9.lo comprys/_complex_eriroot_10.lo comprys/_complex_eriroot_11.lo comprys/_complex_eriroot_12.lo comprys/_complex_eriroot_13.lo rys/_breitroot_1.lo rys/_breitroot_2.lo rys/_breitroot_3.lo rys/_breitroot_4.lo rys/_breitroot_5.lo rys/_breitroot_6.lo rys/_breitroot_7.lo rys/_breitroot_8.lo rys/_breitroot_9.lo rys/_breitroot_10.lo rys/_breitroot_11.lo rys/_breitroot_12.lo rys/_breitroot_13.lo rys/_spin2root_1.lo rys/_spin2root_2.lo rys/_spin2root_3.lo rys/_spin2root_4.lo rys/_spin2root_5.lo rys/_spin2root_6.lo rys/_spin2root_7.lo rys/_spin2root_8.lo rys/_spin2root_9.lo rys/_spin2root_10.lo rys/_spin2root_11.lo rys/_spin2root_12.lo rys/_spin2root_13.lo compos/complexoverlapbatch.lo compos/covrr.lo compos/complexkineticbatch.lo compos/complexmomentumbatch.lo compos/complexangmombatch.lo compos/point_complexmomentumbatch.lo compos/point_complexoverlapbatch.lo os/point_overlapbatch.lo comprys/complexeribatch.lo rys/eribatch.lo rys/gradbatch.lo rys/gnaibatch.lo rys/slaterbatch.lo rys/breitbatch.lo rys/rysintegral.lo rys/coulombbatch_base.lo rys/coulombbatch_energy.lo rys/compute.lo comprys/ccompute.lo rys/bcompute.lo rys/gcompute.lo rys/gncompute.lo rys/scompute.lo rys/vrr_optim.lo rys/bvrr_optim.lo rys/svrr_optim.lo rys/usvrr_optim.lo rys/naibatch.lo rys/spindipolebatch.lo comprys/complexnaibatch.lo rys/r0batch.lo rys/r1batch.lo rys/r2batch.lo rys/eribatch_base.lo rys/smalleribatch.lo rys/mixederibatch.lo rys/gsmallnaibatch.lo rys/gsmalleribatch.lo comprys/complexsmalleribatch.lo comprys/complexmixederibatch.lo os/overlapbatch.lo os/ovrr.lo os/kineticbatch.lo os/mmbatch.lo os/momentumbatch.lo os/gocompute.lo os/gkcompute.lo os/gmcompute.lo os/osintegral.lo os/angmombatch.lo os/multipolebatch_base.lo os/multipolebatch.lo libint/libint.lo libint/glibint.lo ecp/angularbatch.lo ecp/ecpbatch.lo ecp/radial.lo ecp/soangularbatch.lo ecp/soecpbatch.lo ecp/_sphusp_0.lo ecp/_sphusp_1.lo ecp/_sphusp_2.lo ecp/_sphusp_3.lo ecp/_sphusp_4.lo ecp/_sphusp_5.lo ecp/_sphusp_6.lo ecp/_sphusp_7.lo ecp/_sphusp_8.lo ecp/_sphusp_9.lo ecp/_sphusp_10.lo -lxc -lboost_regex -lboost_unit_test_framework -lboost_serialization -lblas -llapack -lpthread +/bin/sh ../../libtool --tag=CXX --mode=link mpicxx -I../.. -g1 -O2 -DNDEBUG -DZDOT_RETURN -L/usr/lib/aarch64-linux-gnu -Wl,-z,relro -o libbagel_integral.la hrrlist.lo carsphlist.lo sort.lo sort_sph.lo csort.lo csort_sph.lo sortlist.lo _hrr_20_11.lo _hrr_40_31.lo _hrr_60_33.lo _hrr_70_43.lo _hrr_80_44.lo _hrr_90_54.lo _hrr_a0_64.lo _hrr_30_21.lo _hrr_50_32.lo _hrr_60_42.lo _hrr_70_52.lo _hrr_80_53.lo _hrr_90_63.lo _hrr_b0_65.lo _hrr_40_22.lo _hrr_50_41.lo _hrr_60_51.lo _hrr_70_61.lo _hrr_80_62.lo _hrr_a0_55.lo _hrr_c0_66.lo _hrr_80_71.lo _hrr_90_72.lo _hrr_a0_73.lo _hrr_b0_74.lo _hrr_c0_75.lo _hrr_d0_76.lo _hrr_e0_77.lo _carsph_00.lo _carsph_10.lo _carsph_20.lo _carsph_30.lo _carsph_40.lo _carsph_50.lo _carsph_60.lo _carsph_70.lo _carsph_11.lo _carsph_21.lo _carsph_31.lo _carsph_41.lo _carsph_51.lo _carsph_61.lo _carsph_71.lo _carsph_22.lo _carsph_32.lo _carsph_42.lo _carsph_52.lo _carsph_62.lo _carsph_72.lo _carsph_33.lo _carsph_43.lo _carsph_53.lo _carsph_63.lo _carsph_73.lo _carsph_44.lo _carsph_54.lo _carsph_64.lo _carsph_74.lo _carsph_55.lo _carsph_65.lo _carsph_75.lo _carsph_66.lo _carsph_76.lo _carsph_77.lo rys/vrr.lo rys/gvrr.lo rys/bvrr.lo rys/svrr.lo rys/usvrr.lo rys/s2vrr.lo comprys/cvrr.lo rys/_eriroot_1.lo rys/_eriroot_2.lo rys/_eriroot_3.lo rys/_eriroot_4.lo rys/_eriroot_5.lo rys/_eriroot_6.lo rys/_eriroot_7.lo rys/_eriroot_8.lo rys/_eriroot_9.lo rys/_eriroot_10.lo rys/_eriroot_11.lo rys/_eriroot_12.lo rys/_eriroot_13.lo rys/_eriroot_14.lo rys/_eriroot_15.lo rys/_eriroot_16.lo rys/_eriroot_17.lo rys/_eriroot_18.lo rys/_eriroot_19.lo rys/_eriroot_20.lo rys/_eriroot_21.lo rys/_eriroot_22.lo rys/_eriroot_23.lo rys/_eriroot_24.lo rys/_eriroot_25.lo rys/_eriroot_26.lo rys/_eriroot_27.lo rys/_eriroot_28.lo rys/_eriroot_29.lo rys/_eriroot_30.lo rys/_eriroot_31.lo rys/_eriroot_32.lo rys/_eriroot_33.lo rys/_eriroot_34.lo rys/_eriroot_35.lo rys/_eriroot_36.lo rys/_eriroot_37.lo rys/_eriroot_38.lo rys/_eriroot_39.lo rys/_eriroot_40.lo rys/_eriroot_41.lo rys/_eriroot_42.lo rys/_eriroot_43.lo rys/_eriroot_44.lo rys/_eriroot_45.lo rys/_eriroot_46.lo rys/_eriroot_47.lo rys/_eriroot_48.lo rys/_eriroot_49.lo rys/_eriroot_50.lo rys/_r2root_1.lo rys/_r2root_2.lo rys/_r2root_3.lo rys/_r2root_4.lo rys/_r2root_5.lo rys/_r2root_6.lo rys/_r2root_7.lo rys/_r2root_8.lo rys/_r2root_9.lo rys/_r2root_10.lo rys/_r2root_11.lo rys/_r2root_12.lo rys/_r2root_13.lo comprys/_complex_eriroot_1.lo comprys/_complex_eriroot_2.lo comprys/_complex_eriroot_3.lo comprys/_complex_eriroot_4.lo comprys/_complex_eriroot_5.lo comprys/_complex_eriroot_6.lo comprys/_complex_eriroot_7.lo comprys/_complex_eriroot_8.lo comprys/_complex_eriroot_9.lo comprys/_complex_eriroot_10.lo comprys/_complex_eriroot_11.lo comprys/_complex_eriroot_12.lo comprys/_complex_eriroot_13.lo rys/_breitroot_1.lo rys/_breitroot_2.lo rys/_breitroot_3.lo rys/_breitroot_4.lo rys/_breitroot_5.lo rys/_breitroot_6.lo rys/_breitroot_7.lo rys/_breitroot_8.lo rys/_breitroot_9.lo rys/_breitroot_10.lo rys/_breitroot_11.lo rys/_breitroot_12.lo rys/_breitroot_13.lo rys/_spin2root_1.lo rys/_spin2root_2.lo rys/_spin2root_3.lo rys/_spin2root_4.lo rys/_spin2root_5.lo rys/_spin2root_6.lo rys/_spin2root_7.lo rys/_spin2root_8.lo rys/_spin2root_9.lo rys/_spin2root_10.lo rys/_spin2root_11.lo rys/_spin2root_12.lo rys/_spin2root_13.lo compos/complexoverlapbatch.lo compos/covrr.lo compos/complexkineticbatch.lo compos/complexmomentumbatch.lo compos/complexangmombatch.lo compos/point_complexmomentumbatch.lo compos/point_complexoverlapbatch.lo os/point_overlapbatch.lo comprys/complexeribatch.lo rys/eribatch.lo rys/gradbatch.lo rys/gnaibatch.lo rys/slaterbatch.lo rys/breitbatch.lo rys/rysintegral.lo rys/coulombbatch_base.lo rys/coulombbatch_energy.lo rys/compute.lo comprys/ccompute.lo rys/bcompute.lo rys/gcompute.lo rys/gncompute.lo rys/scompute.lo rys/vrr_optim.lo rys/bvrr_optim.lo rys/svrr_optim.lo rys/usvrr_optim.lo rys/naibatch.lo rys/spindipolebatch.lo comprys/complexnaibatch.lo rys/r0batch.lo rys/r1batch.lo rys/r2batch.lo rys/eribatch_base.lo rys/smalleribatch.lo rys/mixederibatch.lo rys/gsmallnaibatch.lo rys/gsmalleribatch.lo comprys/complexsmalleribatch.lo comprys/complexmixederibatch.lo os/overlapbatch.lo os/ovrr.lo os/kineticbatch.lo os/mmbatch.lo os/momentumbatch.lo os/gocompute.lo os/gkcompute.lo os/gmcompute.lo os/osintegral.lo os/angmombatch.lo os/multipolebatch_base.lo os/multipolebatch.lo libint/libint.lo libint/glibint.lo ecp/angularbatch.lo ecp/ecpbatch.lo ecp/radial.lo ecp/soangularbatch.lo ecp/soecpbatch.lo ecp/_sphusp_0.lo ecp/_sphusp_1.lo ecp/_sphusp_2.lo ecp/_sphusp_3.lo ecp/_sphusp_4.lo ecp/_sphusp_5.lo ecp/_sphusp_6.lo ecp/_sphusp_7.lo ecp/_sphusp_8.lo ecp/_sphusp_9.lo ecp/_sphusp_10.lo -lxc -lboost_regex -lboost_unit_test_framework -lboost_serialization -lblas -llapack -lpthread libtool: link: ar cru .libs/libbagel_integral.a hrrlist.o carsphlist.o sort.o sort_sph.o csort.o csort_sph.o sortlist.o _hrr_20_11.o _hrr_40_31.o _hrr_60_33.o _hrr_70_43.o _hrr_80_44.o _hrr_90_54.o _hrr_a0_64.o _hrr_30_21.o _hrr_50_32.o _hrr_60_42.o _hrr_70_52.o _hrr_80_53.o _hrr_90_63.o _hrr_b0_65.o _hrr_40_22.o _hrr_50_41.o _hrr_60_51.o _hrr_70_61.o _hrr_80_62.o _hrr_a0_55.o _hrr_c0_66.o _hrr_80_71.o _hrr_90_72.o _hrr_a0_73.o _hrr_b0_74.o _hrr_c0_75.o _hrr_d0_76.o _hrr_e0_77.o _carsph_00.o _carsph_10.o _carsph_20.o _carsph_30.o _carsph_40.o _carsph_50.o _carsph_60.o _carsph_70.o _carsph_11.o _carsph_21.o _carsph_31.o _carsph_41.o _carsph_51.o _carsph_61.o _carsph_71.o _carsph_22.o _carsph_32.o _carsph_42.o _carsph_52.o _carsph_62.o _carsph_72.o _carsph_33.o _carsph_43.o _carsph_53.o _carsph_63.o _carsph_73.o _carsph_44.o _carsph_54.o _carsph_64.o _carsph_74.o _carsph_55.o _carsph_65.o _carsph_75.o _carsph_66.o _carsph_76.o _carsph_77.o rys/vrr.o rys/gvrr.o rys/bvrr.o rys/svrr.o rys/usvrr.o rys/s2vrr.o comprys/cvrr.o rys/_eriroot_1.o rys/_eriroot_2.o rys/_eriroot_3.o rys/_eriroot_4.o rys/_eriroot_5.o rys/_eriroot_6.o rys/_eriroot_7.o rys/_eriroot_8.o rys/_eriroot_9.o rys/_eriroot_10.o rys/_eriroot_11.o rys/_eriroot_12.o rys/_eriroot_13.o rys/_eriroot_14.o rys/_eriroot_15.o rys/_eriroot_16.o rys/_eriroot_17.o rys/_eriroot_18.o rys/_eriroot_19.o rys/_eriroot_20.o rys/_eriroot_21.o rys/_eriroot_22.o rys/_eriroot_23.o rys/_eriroot_24.o rys/_eriroot_25.o rys/_eriroot_26.o rys/_eriroot_27.o rys/_eriroot_28.o rys/_eriroot_29.o rys/_eriroot_30.o rys/_eriroot_31.o rys/_eriroot_32.o rys/_eriroot_33.o rys/_eriroot_34.o rys/_eriroot_35.o rys/_eriroot_36.o rys/_eriroot_37.o rys/_eriroot_38.o rys/_eriroot_39.o rys/_eriroot_40.o rys/_eriroot_41.o rys/_eriroot_42.o rys/_eriroot_43.o rys/_eriroot_44.o rys/_eriroot_45.o rys/_eriroot_46.o rys/_eriroot_47.o rys/_eriroot_48.o rys/_eriroot_49.o rys/_eriroot_50.o rys/_r2root_1.o rys/_r2root_2.o rys/_r2root_3.o rys/_r2root_4.o rys/_r2root_5.o rys/_r2root_6.o rys/_r2root_7.o rys/_r2root_8.o rys/_r2root_9.o rys/_r2root_10.o rys/_r2root_11.o rys/_r2root_12.o rys/_r2root_13.o comprys/_complex_eriroot_1.o comprys/_complex_eriroot_2.o comprys/_complex_eriroot_3.o comprys/_complex_eriroot_4.o comprys/_complex_eriroot_5.o comprys/_complex_eriroot_6.o comprys/_complex_eriroot_7.o comprys/_complex_eriroot_8.o comprys/_complex_eriroot_9.o comprys/_complex_eriroot_10.o comprys/_complex_eriroot_11.o comprys/_complex_eriroot_12.o comprys/_complex_eriroot_13.o rys/_breitroot_1.o rys/_breitroot_2.o rys/_breitroot_3.o rys/_breitroot_4.o rys/_breitroot_5.o rys/_breitroot_6.o rys/_breitroot_7.o rys/_breitroot_8.o rys/_breitroot_9.o rys/_breitroot_10.o rys/_breitroot_11.o rys/_breitroot_12.o rys/_breitroot_13.o rys/_spin2root_1.o rys/_spin2root_2.o rys/_spin2root_3.o rys/_spin2root_4.o rys/_spin2root_5.o rys/_spin2root_6.o rys/_spin2root_7.o rys/_spin2root_8.o rys/_spin2root_9.o rys/_spin2root_10.o rys/_spin2root_11.o rys/_spin2root_12.o rys/_spin2root_13.o compos/complexoverlapbatch.o compos/covrr.o compos/complexkineticbatch.o compos/complexmomentumbatch.o compos/complexangmombatch.o compos/point_complexmomentumbatch.o compos/point_complexoverlapbatch.o os/point_overlapbatch.o comprys/complexeribatch.o rys/eribatch.o rys/gradbatch.o rys/gnaibatch.o rys/slaterbatch.o rys/breitbatch.o rys/rysintegral.o rys/coulombbatch_base.o rys/coulombbatch_energy.o rys/compute.o comprys/ccompute.o rys/bcompute.o rys/gcompute.o rys/gncompute.o rys/scompute.o rys/vrr_optim.o rys/bvrr_optim.o rys/svrr_optim.o rys/usvrr_optim.o rys/naibatch.o rys/spindipolebatch.o comprys/complexnaibatch.o rys/r0batch.o rys/r1batch.o rys/r2batch.o rys/eribatch_base.o rys/smalleribatch.o rys/mixederibatch.o rys/gsmallnaibatch.o rys/gsmalleribatch.o comprys/complexsmalleribatch.o comprys/complexmixederibatch.o os/overlapbatch.o os/ovrr.o os/kineticbatch.o os/mmbatch.o os/momentumbatch.o os/gocompute.o os/gkcompute.o os/gmcompute.o os/osintegral.o os/angmombatch.o os/multipolebatch_base.o os/multipolebatch.o libint/libint.o libint/glibint.o ecp/angularbatch.o ecp/ecpbatch.o ecp/radial.o ecp/soangularbatch.o ecp/soecpbatch.o ecp/_sphusp_0.o ecp/_sphusp_1.o ecp/_sphusp_2.o ecp/_sphusp_3.o ecp/_sphusp_4.o ecp/_sphusp_5.o ecp/_sphusp_6.o ecp/_sphusp_7.o ecp/_sphusp_8.o ecp/_sphusp_9.o ecp/_sphusp_10.o ar: `u' modifier ignored since `D' is the default (see `U') libtool: link: ranlib .libs/libbagel_integral.a @@ -2416,31 +2450,31 @@ make[4]: Leaving directory '/build/bagel-1.2.2/src/integral' Making all in df make[4]: Entering directory '/build/bagel-1.2.2/src/df' -/bin/bash ../../libtool --tag=CXX --mode=compile mpicxx -DHAVE_CONFIG_H -I. -I../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include -I../.. -g1 -O2 -DNDEBUG -DZDOT_RETURN -c -o dfblock.lo dfblock.cc +/bin/sh ../../libtool --tag=CXX --mode=compile mpicxx -DHAVE_CONFIG_H -I. -I../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include -I../.. -g1 -O2 -DNDEBUG -DZDOT_RETURN -c -o dfblock.lo dfblock.cc libtool: compile: mpicxx -DHAVE_CONFIG_H -I. -I../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include -I../.. -g1 -O2 -DNDEBUG -DZDOT_RETURN -c dfblock.cc -o dfblock.o -/bin/bash ../../libtool --tag=CXX --mode=compile mpicxx -DHAVE_CONFIG_H -I. -I../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include -I../.. -g1 -O2 -DNDEBUG -DZDOT_RETURN -c -o df.lo df.cc +/bin/sh ../../libtool --tag=CXX --mode=compile mpicxx -DHAVE_CONFIG_H -I. -I../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include -I../.. -g1 -O2 -DNDEBUG -DZDOT_RETURN -c -o df.lo df.cc libtool: compile: mpicxx -DHAVE_CONFIG_H -I. -I../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include -I../.. -g1 -O2 -DNDEBUG -DZDOT_RETURN -c df.cc -o df.o -/bin/bash ../../libtool --tag=CXX --mode=compile mpicxx -DHAVE_CONFIG_H -I. -I../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include -I../.. -g1 -O2 -DNDEBUG -DZDOT_RETURN -c -o dfdistt.lo dfdistt.cc +/bin/sh ../../libtool --tag=CXX --mode=compile mpicxx -DHAVE_CONFIG_H -I. -I../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include -I../.. -g1 -O2 -DNDEBUG -DZDOT_RETURN -c -o dfdistt.lo dfdistt.cc libtool: compile: mpicxx -DHAVE_CONFIG_H -I. -I../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include -I../.. -g1 -O2 -DNDEBUG -DZDOT_RETURN -c dfdistt.cc -o dfdistt.o -/bin/bash ../../libtool --tag=CXX --mode=compile mpicxx -DHAVE_CONFIG_H -I. -I../.. -Wdate-time -D_FORTIFY_SOURCE=2 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qmmm.cc:39:9: warning: ignoring return value of 'int system(const char*)', declared with attribute warn_unused_result [-Wunused-result] @@ -2499,7 +2533,7 @@ qmmm.cc:99:8: warning: ignoring return value of 'int chdir(const char*)', declared with attribute warn_unused_result [-Wunused-result] chdir("../"); ~~~~~^~~~~~~ -/bin/bash ../../libtool --tag=CXX --mode=link mpicxx -I../.. -g1 -O2 -DNDEBUG -DZDOT_RETURN -L/usr/lib/aarch64-linux-gnu -Wl,-z,relro -o libbagel_opt.la optimize.lo opt.lo get_grad.lo constraint.lo compute_opt.lo compute_mep.lo update.lo qmmm.lo -lxc -lboost_regex -lboost_unit_test_framework -lboost_serialization -lblas -llapack -lpthread +/bin/sh ../../libtool --tag=CXX --mode=link mpicxx -I../.. -g1 -O2 -DNDEBUG -DZDOT_RETURN -L/usr/lib/aarch64-linux-gnu -Wl,-z,relro -o libbagel_opt.la optimize.lo opt.lo get_grad.lo constraint.lo compute_opt.lo compute_mep.lo update.lo qmmm.lo -lxc -lboost_regex -lboost_unit_test_framework -lboost_serialization -lblas -llapack 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../../libtool --tag=CXX --mode=link mpicxx -I../.. -g1 -O2 -DNDEBUG -DZDOT_RETURN -L/usr/lib/aarch64-linux-gnu -Wl,-z,relro -o libbagel_smith.la smith_info.lo indexrange.lo storage.lo storagekramers.lo denom.lo tensor.lo futuretensor.lo multitensor.lo spinfreebase.lo subtask.lo smith.lo caspt2energy.lo caspt2grad.lo caspt2grad_util.lo moint.lo diagonal.lo queue.lo orthogonal.lo orthogonal_shift.lo caspt2/CASPT2.lo caspt2/CASPT2_gamma.lo caspt2/CASPT2_normq.lo caspt2/CASPT2_sourceq.lo caspt2/CASPT2_density1q.lo caspt2/CASPT2_density2q.lo caspt2/CASPT2_deciq.lo caspt2/CASPT2_residualq.lo caspt2/CASPT2_densityq.lo caspt2/CASPT2_tasks1.lo caspt2/CASPT2_tasks2.lo caspt2/CASPT2_tasks3.lo caspt2/CASPT2_tasks4.lo caspt2/CASPT2_tasks5.lo caspt2/CASPT2_tasks6.lo caspt2/CASPT2_tasks7.lo caspt2/CASPT2_tasks8.lo caspt2/CASPT2_tasks9.lo caspt2/CASPT2_tasks10.lo caspt2/CASPT2_tasks11.lo caspt2/CASPT2_tasks12.lo caspt2/CASPT2_tasks13.lo caspt2/CASPT2_tasks14.lo caspt2/CASPT2_tasks15.lo caspt2/CASPT2_tasks16.lo caspt2/CASPT2_gen1.lo caspt2/CASPT2_gen2.lo caspt2/CASPT2_gen3.lo caspt2/CASPT2_gen4.lo caspt2/CASPT2_gen5.lo caspt2/CASPT2_gen6.lo caspt2/CASPT2_gen7.lo caspt2/CASPT2_gen8.lo caspt2/CASPT2_gen9.lo caspt2/CASPT2_gen10.lo caspt2/CASPT2_gen11.lo caspt2/CASPT2_gen12.lo caspt2/CASPT2_gen13.lo caspt2/CASPT2_gen14.lo caspt2/CASPT2_gen15.lo caspt2/CASPT2_gen16.lo caspt2/CASPT2_contract.lo caspt2/SPCASPT2.lo caspt2/SPCASPT2_gamma.lo caspt2/SPCASPT2_densityq.lo caspt2/SPCASPT2_density1q.lo caspt2/SPCASPT2_gen1.lo caspt2/SPCASPT2_gen2.lo caspt2/SPCASPT2_gen3.lo caspt2/SPCASPT2_gen4.lo caspt2/SPCASPT2_gen5.lo caspt2/SPCASPT2_gen6.lo caspt2/SPCASPT2_tasks1.lo caspt2/SPCASPT2_tasks2.lo caspt2/SPCASPT2_tasks3.lo caspt2/SPCASPT2_tasks4.lo caspt2/SPCASPT2_tasks5.lo caspt2/SPCASPT2_tasks6.lo caspt2/MSCASPT2.lo caspt2/MSCASPT2_gamma.lo caspt2/MSCASPT2_densityq.lo caspt2/MSCASPT2_density1q.lo caspt2/MSCASPT2_density2q.lo caspt2/MSCASPT2_deciq.lo caspt2/MSCASPT2_deci2q.lo caspt2/MSCASPT2_deci3q.lo caspt2/MSCASPT2_deci4q.lo caspt2/MSCASPT2_gen1.lo caspt2/MSCASPT2_gen2.lo caspt2/MSCASPT2_gen3.lo caspt2/MSCASPT2_gen4.lo caspt2/MSCASPT2_gen5.lo caspt2/MSCASPT2_gen6.lo caspt2/MSCASPT2_gen7.lo caspt2/MSCASPT2_gen8.lo caspt2/MSCASPT2_gen9.lo caspt2/MSCASPT2_gen10.lo caspt2/MSCASPT2_gen11.lo caspt2/MSCASPT2_gen12.lo caspt2/MSCASPT2_tasks1.lo caspt2/MSCASPT2_tasks2.lo caspt2/MSCASPT2_tasks3.lo caspt2/MSCASPT2_tasks4.lo caspt2/MSCASPT2_tasks5.lo caspt2/MSCASPT2_tasks6.lo caspt2/MSCASPT2_tasks7.lo caspt2/MSCASPT2_tasks8.lo caspt2/MSCASPT2_tasks9.lo caspt2/MSCASPT2_tasks10.lo caspt2/MSCASPT2_tasks11.lo caspt2/MSCASPT2_tasks12.lo caspt2/MSCASPT2_shift.lo caspt2/MSCASPT2_contract.lo mrci/MRCI.lo mrci/MRCI_gamma.lo mrci/MRCI_sourceq.lo mrci/MRCI_normq.lo mrci/MRCI_residualq1.lo mrci/MRCI_residualq2.lo mrci/MRCI_residualq3.lo mrci/MRCI_residualq4.lo mrci/MRCI_residualq5.lo mrci/MRCI_residualq6.lo mrci/MRCI_residualq7.lo mrci/MRCI_residualq8.lo mrci/MRCI_residualq9.lo mrci/MRCI_tasks1.lo mrci/MRCI_tasks2.lo mrci/MRCI_tasks3.lo mrci/MRCI_tasks4.lo mrci/MRCI_tasks5.lo mrci/MRCI_tasks6.lo mrci/MRCI_tasks7.lo mrci/MRCI_tasks8.lo mrci/MRCI_tasks9.lo mrci/MRCI_tasks10.lo mrci/MRCI_tasks11.lo mrci/MRCI_tasks12.lo mrci/MRCI_tasks13.lo mrci/MRCI_tasks14.lo mrci/MRCI_tasks15.lo mrci/MRCI_tasks16.lo mrci/MRCI_tasks17.lo mrci/MRCI_tasks18.lo mrci/MRCI_tasks19.lo mrci/MRCI_tasks20.lo mrci/MRCI_gen1.lo mrci/MRCI_gen2.lo mrci/MRCI_gen3.lo mrci/MRCI_gen4.lo mrci/MRCI_gen5.lo mrci/MRCI_gen6.lo mrci/MRCI_gen7.lo mrci/MRCI_gen8.lo mrci/MRCI_gen9.lo mrci/MRCI_gen10.lo mrci/MRCI_gen11.lo mrci/MRCI_gen12.lo mrci/MRCI_gen13.lo mrci/MRCI_gen14.lo mrci/MRCI_gen15.lo mrci/MRCI_gen16.lo mrci/MRCI_gen17.lo mrci/MRCI_gen18.lo mrci/MRCI_gen19.lo mrci/MRCI_gen20.lo relcaspt2/RelCASPT2.lo relcaspt2/RelCASPT2_gamma.lo relcaspt2/RelCASPT2_residualq.lo relcaspt2/RelCASPT2_normq.lo relcaspt2/RelCASPT2_sourceq.lo relcaspt2/RelCASPT2_gen1.lo relcaspt2/RelCASPT2_gen2.lo relcaspt2/RelCASPT2_gen3.lo relcaspt2/RelCASPT2_gen4.lo relcaspt2/RelCASPT2_gen5.lo relcaspt2/RelCASPT2_gen6.lo relcaspt2/RelCASPT2_tasks1.lo relcaspt2/RelCASPT2_tasks2.lo relcaspt2/RelCASPT2_tasks3.lo relcaspt2/RelCASPT2_tasks4.lo relcaspt2/RelCASPT2_tasks5.lo relcaspt2/RelCASPT2_tasks6.lo casa/CASA.lo casa/CASA_gamma.lo casa/CASA_residualq.lo casa/CASA_sourceq.lo casa/CASA_gen1.lo casa/CASA_gen2.lo casa/CASA_gen3.lo casa/CASA_gen4.lo casa/CASA_gen5.lo casa/CASA_gen6.lo casa/CASA_tasks1.lo casa/CASA_tasks2.lo casa/CASA_tasks3.lo casa/CASA_tasks4.lo casa/CASA_tasks5.lo casa/CASA_tasks6.lo relcasa/RelCASA.lo relcasa/RelCASA_gamma.lo relcasa/RelCASA_residualq.lo relcasa/RelCASA_sourceq.lo relcasa/RelCASA_gen1.lo relcasa/RelCASA_gen2.lo relcasa/RelCASA_gen3.lo relcasa/RelCASA_gen4.lo relcasa/RelCASA_gen5.lo relcasa/RelCASA_gen6.lo relcasa/RelCASA_tasks1.lo relcasa/RelCASA_tasks2.lo relcasa/RelCASA_tasks3.lo relcasa/RelCASA_tasks4.lo relcasa/RelCASA_tasks5.lo relcasa/RelCASA_tasks6.lo relmrci/RelMRCI.lo relmrci/RelMRCI_gamma.lo relmrci/RelMRCI_sourceq.lo relmrci/RelMRCI_normq.lo relmrci/RelMRCI_residualq1.lo relmrci/RelMRCI_residualq2.lo relmrci/RelMRCI_residualq3.lo relmrci/RelMRCI_residualq4.lo relmrci/RelMRCI_residualq5.lo relmrci/RelMRCI_residualq6.lo relmrci/RelMRCI_tasks1.lo relmrci/RelMRCI_tasks2.lo relmrci/RelMRCI_tasks3.lo relmrci/RelMRCI_tasks4.lo relmrci/RelMRCI_tasks5.lo relmrci/RelMRCI_tasks6.lo relmrci/RelMRCI_tasks7.lo relmrci/RelMRCI_tasks8.lo relmrci/RelMRCI_tasks9.lo relmrci/RelMRCI_tasks10.lo relmrci/RelMRCI_tasks11.lo relmrci/RelMRCI_tasks12.lo relmrci/RelMRCI_tasks13.lo relmrci/RelMRCI_tasks14.lo relmrci/RelMRCI_tasks15.lo relmrci/RelMRCI_tasks16.lo relmrci/RelMRCI_gen1.lo relmrci/RelMRCI_gen2.lo relmrci/RelMRCI_gen3.lo relmrci/RelMRCI_gen4.lo relmrci/RelMRCI_gen5.lo relmrci/RelMRCI_gen6.lo relmrci/RelMRCI_gen7.lo relmrci/RelMRCI_gen8.lo relmrci/RelMRCI_gen9.lo relmrci/RelMRCI_gen10.lo relmrci/RelMRCI_gen11.lo relmrci/RelMRCI_gen12.lo relmrci/RelMRCI_gen13.lo relmrci/RelMRCI_gen14.lo relmrci/RelMRCI_gen15.lo relmrci/RelMRCI_gen16.lo -lxc -lboost_regex -lboost_unit_test_framework -lboost_serialization -lblas -llapack -lpthread +/bin/sh ../../libtool --tag=CXX --mode=link mpicxx -I../.. -g1 -O2 -DNDEBUG -DZDOT_RETURN -L/usr/lib/aarch64-linux-gnu -Wl,-z,relro -o libbagel_smith.la smith_info.lo indexrange.lo storage.lo storagekramers.lo denom.lo tensor.lo futuretensor.lo multitensor.lo spinfreebase.lo subtask.lo smith.lo caspt2energy.lo caspt2grad.lo caspt2grad_util.lo moint.lo diagonal.lo queue.lo orthogonal.lo orthogonal_shift.lo caspt2/CASPT2.lo caspt2/CASPT2_gamma.lo caspt2/CASPT2_normq.lo caspt2/CASPT2_sourceq.lo caspt2/CASPT2_density1q.lo caspt2/CASPT2_density2q.lo caspt2/CASPT2_deciq.lo caspt2/CASPT2_residualq.lo caspt2/CASPT2_densityq.lo caspt2/CASPT2_tasks1.lo caspt2/CASPT2_tasks2.lo caspt2/CASPT2_tasks3.lo caspt2/CASPT2_tasks4.lo caspt2/CASPT2_tasks5.lo caspt2/CASPT2_tasks6.lo caspt2/CASPT2_tasks7.lo caspt2/CASPT2_tasks8.lo caspt2/CASPT2_tasks9.lo caspt2/CASPT2_tasks10.lo caspt2/CASPT2_tasks11.lo caspt2/CASPT2_tasks12.lo caspt2/CASPT2_tasks13.lo caspt2/CASPT2_tasks14.lo caspt2/CASPT2_tasks15.lo caspt2/CASPT2_tasks16.lo caspt2/CASPT2_gen1.lo caspt2/CASPT2_gen2.lo caspt2/CASPT2_gen3.lo caspt2/CASPT2_gen4.lo caspt2/CASPT2_gen5.lo caspt2/CASPT2_gen6.lo caspt2/CASPT2_gen7.lo caspt2/CASPT2_gen8.lo caspt2/CASPT2_gen9.lo caspt2/CASPT2_gen10.lo caspt2/CASPT2_gen11.lo caspt2/CASPT2_gen12.lo caspt2/CASPT2_gen13.lo caspt2/CASPT2_gen14.lo caspt2/CASPT2_gen15.lo caspt2/CASPT2_gen16.lo caspt2/CASPT2_contract.lo caspt2/SPCASPT2.lo caspt2/SPCASPT2_gamma.lo caspt2/SPCASPT2_densityq.lo caspt2/SPCASPT2_density1q.lo caspt2/SPCASPT2_gen1.lo caspt2/SPCASPT2_gen2.lo caspt2/SPCASPT2_gen3.lo caspt2/SPCASPT2_gen4.lo caspt2/SPCASPT2_gen5.lo caspt2/SPCASPT2_gen6.lo caspt2/SPCASPT2_tasks1.lo caspt2/SPCASPT2_tasks2.lo caspt2/SPCASPT2_tasks3.lo caspt2/SPCASPT2_tasks4.lo caspt2/SPCASPT2_tasks5.lo caspt2/SPCASPT2_tasks6.lo caspt2/MSCASPT2.lo caspt2/MSCASPT2_gamma.lo caspt2/MSCASPT2_densityq.lo caspt2/MSCASPT2_density1q.lo caspt2/MSCASPT2_density2q.lo caspt2/MSCASPT2_deciq.lo caspt2/MSCASPT2_deci2q.lo caspt2/MSCASPT2_deci3q.lo caspt2/MSCASPT2_deci4q.lo caspt2/MSCASPT2_gen1.lo caspt2/MSCASPT2_gen2.lo caspt2/MSCASPT2_gen3.lo caspt2/MSCASPT2_gen4.lo caspt2/MSCASPT2_gen5.lo caspt2/MSCASPT2_gen6.lo caspt2/MSCASPT2_gen7.lo caspt2/MSCASPT2_gen8.lo caspt2/MSCASPT2_gen9.lo caspt2/MSCASPT2_gen10.lo caspt2/MSCASPT2_gen11.lo caspt2/MSCASPT2_gen12.lo caspt2/MSCASPT2_tasks1.lo caspt2/MSCASPT2_tasks2.lo caspt2/MSCASPT2_tasks3.lo caspt2/MSCASPT2_tasks4.lo caspt2/MSCASPT2_tasks5.lo caspt2/MSCASPT2_tasks6.lo caspt2/MSCASPT2_tasks7.lo caspt2/MSCASPT2_tasks8.lo caspt2/MSCASPT2_tasks9.lo caspt2/MSCASPT2_tasks10.lo caspt2/MSCASPT2_tasks11.lo caspt2/MSCASPT2_tasks12.lo caspt2/MSCASPT2_shift.lo caspt2/MSCASPT2_contract.lo mrci/MRCI.lo mrci/MRCI_gamma.lo mrci/MRCI_sourceq.lo mrci/MRCI_normq.lo mrci/MRCI_residualq1.lo mrci/MRCI_residualq2.lo mrci/MRCI_residualq3.lo mrci/MRCI_residualq4.lo mrci/MRCI_residualq5.lo mrci/MRCI_residualq6.lo mrci/MRCI_residualq7.lo mrci/MRCI_residualq8.lo mrci/MRCI_residualq9.lo mrci/MRCI_tasks1.lo mrci/MRCI_tasks2.lo mrci/MRCI_tasks3.lo mrci/MRCI_tasks4.lo mrci/MRCI_tasks5.lo mrci/MRCI_tasks6.lo mrci/MRCI_tasks7.lo mrci/MRCI_tasks8.lo mrci/MRCI_tasks9.lo mrci/MRCI_tasks10.lo mrci/MRCI_tasks11.lo mrci/MRCI_tasks12.lo mrci/MRCI_tasks13.lo mrci/MRCI_tasks14.lo mrci/MRCI_tasks15.lo mrci/MRCI_tasks16.lo mrci/MRCI_tasks17.lo mrci/MRCI_tasks18.lo mrci/MRCI_tasks19.lo mrci/MRCI_tasks20.lo mrci/MRCI_gen1.lo mrci/MRCI_gen2.lo mrci/MRCI_gen3.lo mrci/MRCI_gen4.lo mrci/MRCI_gen5.lo mrci/MRCI_gen6.lo mrci/MRCI_gen7.lo mrci/MRCI_gen8.lo mrci/MRCI_gen9.lo mrci/MRCI_gen10.lo mrci/MRCI_gen11.lo mrci/MRCI_gen12.lo mrci/MRCI_gen13.lo mrci/MRCI_gen14.lo mrci/MRCI_gen15.lo mrci/MRCI_gen16.lo mrci/MRCI_gen17.lo mrci/MRCI_gen18.lo mrci/MRCI_gen19.lo mrci/MRCI_gen20.lo relcaspt2/RelCASPT2.lo relcaspt2/RelCASPT2_gamma.lo relcaspt2/RelCASPT2_residualq.lo relcaspt2/RelCASPT2_normq.lo relcaspt2/RelCASPT2_sourceq.lo relcaspt2/RelCASPT2_gen1.lo relcaspt2/RelCASPT2_gen2.lo relcaspt2/RelCASPT2_gen3.lo relcaspt2/RelCASPT2_gen4.lo relcaspt2/RelCASPT2_gen5.lo relcaspt2/RelCASPT2_gen6.lo relcaspt2/RelCASPT2_tasks1.lo relcaspt2/RelCASPT2_tasks2.lo relcaspt2/RelCASPT2_tasks3.lo relcaspt2/RelCASPT2_tasks4.lo relcaspt2/RelCASPT2_tasks5.lo relcaspt2/RelCASPT2_tasks6.lo casa/CASA.lo casa/CASA_gamma.lo casa/CASA_residualq.lo casa/CASA_sourceq.lo casa/CASA_gen1.lo casa/CASA_gen2.lo casa/CASA_gen3.lo casa/CASA_gen4.lo casa/CASA_gen5.lo casa/CASA_gen6.lo casa/CASA_tasks1.lo casa/CASA_tasks2.lo casa/CASA_tasks3.lo casa/CASA_tasks4.lo casa/CASA_tasks5.lo casa/CASA_tasks6.lo relcasa/RelCASA.lo relcasa/RelCASA_gamma.lo relcasa/RelCASA_residualq.lo relcasa/RelCASA_sourceq.lo relcasa/RelCASA_gen1.lo relcasa/RelCASA_gen2.lo relcasa/RelCASA_gen3.lo relcasa/RelCASA_gen4.lo relcasa/RelCASA_gen5.lo relcasa/RelCASA_gen6.lo relcasa/RelCASA_tasks1.lo relcasa/RelCASA_tasks2.lo relcasa/RelCASA_tasks3.lo relcasa/RelCASA_tasks4.lo relcasa/RelCASA_tasks5.lo relcasa/RelCASA_tasks6.lo relmrci/RelMRCI.lo relmrci/RelMRCI_gamma.lo relmrci/RelMRCI_sourceq.lo relmrci/RelMRCI_normq.lo relmrci/RelMRCI_residualq1.lo relmrci/RelMRCI_residualq2.lo relmrci/RelMRCI_residualq3.lo relmrci/RelMRCI_residualq4.lo relmrci/RelMRCI_residualq5.lo relmrci/RelMRCI_residualq6.lo relmrci/RelMRCI_tasks1.lo relmrci/RelMRCI_tasks2.lo relmrci/RelMRCI_tasks3.lo relmrci/RelMRCI_tasks4.lo relmrci/RelMRCI_tasks5.lo relmrci/RelMRCI_tasks6.lo relmrci/RelMRCI_tasks7.lo relmrci/RelMRCI_tasks8.lo relmrci/RelMRCI_tasks9.lo relmrci/RelMRCI_tasks10.lo relmrci/RelMRCI_tasks11.lo relmrci/RelMRCI_tasks12.lo relmrci/RelMRCI_tasks13.lo relmrci/RelMRCI_tasks14.lo relmrci/RelMRCI_tasks15.lo relmrci/RelMRCI_tasks16.lo relmrci/RelMRCI_gen1.lo relmrci/RelMRCI_gen2.lo relmrci/RelMRCI_gen3.lo relmrci/RelMRCI_gen4.lo relmrci/RelMRCI_gen5.lo relmrci/RelMRCI_gen6.lo relmrci/RelMRCI_gen7.lo relmrci/RelMRCI_gen8.lo relmrci/RelMRCI_gen9.lo relmrci/RelMRCI_gen10.lo relmrci/RelMRCI_gen11.lo relmrci/RelMRCI_gen12.lo relmrci/RelMRCI_gen13.lo relmrci/RelMRCI_gen14.lo relmrci/RelMRCI_gen15.lo relmrci/RelMRCI_gen16.lo -lxc -lboost_regex -lboost_unit_test_framework -lboost_serialization -lblas -llapack -lpthread libtool: link: ar cru .libs/libbagel_smith.a smith_info.o indexrange.o storage.o storagekramers.o denom.o tensor.o futuretensor.o multitensor.o spinfreebase.o subtask.o smith.o caspt2energy.o caspt2grad.o caspt2grad_util.o moint.o diagonal.o queue.o orthogonal.o orthogonal_shift.o caspt2/CASPT2.o caspt2/CASPT2_gamma.o caspt2/CASPT2_normq.o caspt2/CASPT2_sourceq.o caspt2/CASPT2_density1q.o caspt2/CASPT2_density2q.o caspt2/CASPT2_deciq.o caspt2/CASPT2_residualq.o caspt2/CASPT2_densityq.o caspt2/CASPT2_tasks1.o caspt2/CASPT2_tasks2.o caspt2/CASPT2_tasks3.o caspt2/CASPT2_tasks4.o caspt2/CASPT2_tasks5.o caspt2/CASPT2_tasks6.o caspt2/CASPT2_tasks7.o caspt2/CASPT2_tasks8.o caspt2/CASPT2_tasks9.o caspt2/CASPT2_tasks10.o caspt2/CASPT2_tasks11.o caspt2/CASPT2_tasks12.o caspt2/CASPT2_tasks13.o caspt2/CASPT2_tasks14.o caspt2/CASPT2_tasks15.o caspt2/CASPT2_tasks16.o caspt2/CASPT2_gen1.o caspt2/CASPT2_gen2.o caspt2/CASPT2_gen3.o caspt2/CASPT2_gen4.o caspt2/CASPT2_gen5.o caspt2/CASPT2_gen6.o caspt2/CASPT2_gen7.o caspt2/CASPT2_gen8.o caspt2/CASPT2_gen9.o caspt2/CASPT2_gen10.o caspt2/CASPT2_gen11.o caspt2/CASPT2_gen12.o caspt2/CASPT2_gen13.o caspt2/CASPT2_gen14.o caspt2/CASPT2_gen15.o caspt2/CASPT2_gen16.o caspt2/CASPT2_contract.o caspt2/SPCASPT2.o caspt2/SPCASPT2_gamma.o caspt2/SPCASPT2_densityq.o caspt2/SPCASPT2_density1q.o caspt2/SPCASPT2_gen1.o caspt2/SPCASPT2_gen2.o caspt2/SPCASPT2_gen3.o caspt2/SPCASPT2_gen4.o caspt2/SPCASPT2_gen5.o caspt2/SPCASPT2_gen6.o caspt2/SPCASPT2_tasks1.o caspt2/SPCASPT2_tasks2.o caspt2/SPCASPT2_tasks3.o caspt2/SPCASPT2_tasks4.o caspt2/SPCASPT2_tasks5.o 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relcaspt2/RelCASPT2_normq.o relcaspt2/RelCASPT2_sourceq.o relcaspt2/RelCASPT2_gen1.o relcaspt2/RelCASPT2_gen2.o relcaspt2/RelCASPT2_gen3.o relcaspt2/RelCASPT2_gen4.o relcaspt2/RelCASPT2_gen5.o relcaspt2/RelCASPT2_gen6.o relcaspt2/RelCASPT2_tasks1.o relcaspt2/RelCASPT2_tasks2.o relcaspt2/RelCASPT2_tasks3.o relcaspt2/RelCASPT2_tasks4.o relcaspt2/RelCASPT2_tasks5.o relcaspt2/RelCASPT2_tasks6.o casa/CASA.o casa/CASA_gamma.o casa/CASA_residualq.o casa/CASA_sourceq.o casa/CASA_gen1.o casa/CASA_gen2.o casa/CASA_gen3.o casa/CASA_gen4.o casa/CASA_gen5.o casa/CASA_gen6.o casa/CASA_tasks1.o casa/CASA_tasks2.o casa/CASA_tasks3.o casa/CASA_tasks4.o casa/CASA_tasks5.o casa/CASA_tasks6.o relcasa/RelCASA.o relcasa/RelCASA_gamma.o relcasa/RelCASA_residualq.o relcasa/RelCASA_sourceq.o relcasa/RelCASA_gen1.o relcasa/RelCASA_gen2.o relcasa/RelCASA_gen3.o relcasa/RelCASA_gen4.o relcasa/RelCASA_gen5.o relcasa/RelCASA_gen6.o relcasa/RelCASA_tasks1.o relcasa/RelCASA_tasks2.o relcasa/RelCASA_tasks3.o relcasa/RelCASA_tasks4.o relcasa/RelCASA_tasks5.o relcasa/RelCASA_tasks6.o relmrci/RelMRCI.o relmrci/RelMRCI_gamma.o relmrci/RelMRCI_sourceq.o relmrci/RelMRCI_normq.o relmrci/RelMRCI_residualq1.o relmrci/RelMRCI_residualq2.o relmrci/RelMRCI_residualq3.o relmrci/RelMRCI_residualq4.o relmrci/RelMRCI_residualq5.o relmrci/RelMRCI_residualq6.o relmrci/RelMRCI_tasks1.o relmrci/RelMRCI_tasks2.o relmrci/RelMRCI_tasks3.o relmrci/RelMRCI_tasks4.o relmrci/RelMRCI_tasks5.o relmrci/RelMRCI_tasks6.o relmrci/RelMRCI_tasks7.o relmrci/RelMRCI_tasks8.o relmrci/RelMRCI_tasks9.o relmrci/RelMRCI_tasks10.o relmrci/RelMRCI_tasks11.o relmrci/RelMRCI_tasks12.o relmrci/RelMRCI_tasks13.o relmrci/RelMRCI_tasks14.o relmrci/RelMRCI_tasks15.o relmrci/RelMRCI_tasks16.o relmrci/RelMRCI_gen1.o relmrci/RelMRCI_gen2.o relmrci/RelMRCI_gen3.o relmrci/RelMRCI_gen4.o relmrci/RelMRCI_gen5.o relmrci/RelMRCI_gen6.o relmrci/RelMRCI_gen7.o relmrci/RelMRCI_gen8.o relmrci/RelMRCI_gen9.o relmrci/RelMRCI_gen10.o relmrci/RelMRCI_gen11.o relmrci/RelMRCI_gen12.o relmrci/RelMRCI_gen13.o relmrci/RelMRCI_gen14.o relmrci/RelMRCI_gen15.o relmrci/RelMRCI_gen16.o ar: `u' modifier ignored since `D' is the default (see `U') libtool: link: ranlib .libs/libbagel_smith.a @@ -3256,29 +3290,29 @@ make[4]: Leaving directory '/build/bagel-1.2.2/src/smith' Making all in prop make[4]: Entering directory '/build/bagel-1.2.2/src/prop' -/bin/bash ../../libtool --tag=CXX --mode=compile mpicxx -DHAVE_CONFIG_H -I. -I../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include -I../.. -g1 -O2 -DNDEBUG -DZDOT_RETURN -c -o multipole.lo multipole.cc +/bin/sh ../../libtool --tag=CXX --mode=compile mpicxx -DHAVE_CONFIG_H -I. -I../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include -I../.. -g1 -O2 -DNDEBUG -DZDOT_RETURN -c -o multipole.lo multipole.cc libtool: compile: mpicxx -DHAVE_CONFIG_H -I. -I../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include -I../.. -g1 -O2 -DNDEBUG -DZDOT_RETURN -c multipole.cc -o multipole.o -/bin/bash 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-DHAVE_CONFIG_H -I. -I../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include -I../.. -g1 -O2 -DNDEBUG -DZDOT_RETURN -c momentum.cc -o momentum.o -/bin/bash ../../libtool --tag=CXX --mode=compile mpicxx -DHAVE_CONFIG_H -I. -I../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include -I../.. -g1 -O2 -DNDEBUG -DZDOT_RETURN -c -o momentum_london.lo momentum_london.cc +/bin/sh ../../libtool --tag=CXX --mode=compile mpicxx -DHAVE_CONFIG_H -I. -I../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include -I../.. -g1 -O2 -DNDEBUG -DZDOT_RETURN -c -o momentum_london.lo momentum_london.cc libtool: compile: mpicxx -DHAVE_CONFIG_H -I. -I../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include -I../.. -g1 -O2 -DNDEBUG -DZDOT_RETURN -c momentum_london.cc -o momentum_london.o -/bin/bash ../../libtool --tag=CXX --mode=compile mpicxx -DHAVE_CONFIG_H -I. -I../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include -I../.. -g1 -O2 -DNDEBUG -DZDOT_RETURN -c -o momentum_point.lo momentum_point.cc +/bin/sh ../../libtool --tag=CXX --mode=compile mpicxx -DHAVE_CONFIG_H -I. -I../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include -I../.. -g1 -O2 -DNDEBUG -DZDOT_RETURN -c -o momentum_point.lo momentum_point.cc libtool: compile: mpicxx -DHAVE_CONFIG_H -I. -I../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include -I../.. -g1 -O2 -DNDEBUG -DZDOT_RETURN -c momentum_point.cc -o momentum_point.o -/bin/bash ../../libtool --tag=CXX --mode=compile mpicxx -DHAVE_CONFIG_H -I. -I../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include -I../.. -g1 -O2 -DNDEBUG -DZDOT_RETURN -c -o current.lo current.cc +/bin/sh ../../libtool --tag=CXX --mode=compile mpicxx -DHAVE_CONFIG_H -I. -I../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include -I../.. -g1 -O2 -DNDEBUG -DZDOT_RETURN -c -o current.lo current.cc libtool: compile: mpicxx -DHAVE_CONFIG_H -I. -I../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include -I../.. -g1 -O2 -DNDEBUG -DZDOT_RETURN -c current.cc -o current.o -/bin/bash ../../libtool --tag=CXX --mode=compile mpicxx -DHAVE_CONFIG_H -I. -I../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include -I../.. -g1 -O2 -DNDEBUG -DZDOT_RETURN -c -o overlap_point.lo overlap_point.cc +/bin/sh ../../libtool --tag=CXX --mode=compile mpicxx -DHAVE_CONFIG_H -I. -I../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include -I../.. -g1 -O2 -DNDEBUG -DZDOT_RETURN -c -o overlap_point.lo overlap_point.cc libtool: compile: mpicxx -DHAVE_CONFIG_H -I. -I../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include -I../.. -g1 -O2 -DNDEBUG -DZDOT_RETURN -c overlap_point.cc -o overlap_point.o -/bin/bash ../../libtool --tag=CXX --mode=compile mpicxx -DHAVE_CONFIG_H -I. -I../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include -I../.. -g1 -O2 -DNDEBUG -DZDOT_RETURN -c -o moprint.lo moprint.cc +/bin/sh ../../libtool --tag=CXX --mode=compile mpicxx -DHAVE_CONFIG_H -I. -I../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include -I../.. -g1 -O2 -DNDEBUG -DZDOT_RETURN -c -o moprint.lo moprint.cc libtool: compile: mpicxx -DHAVE_CONFIG_H -I. -I../.. -Wdate-time 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-Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include -I../.. -g1 -O2 -DNDEBUG -DZDOT_RETURN -c -o pseudospin/stevensop.lo pseudospin/stevensop.cc libtool: compile: mpicxx -DHAVE_CONFIG_H -I. -I../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include -I../.. -g1 -O2 -DNDEBUG -DZDOT_RETURN -c pseudospin/stevensop.cc -o pseudospin/stevensop.o -/bin/bash ../../libtool --tag=CXX --mode=compile mpicxx -DHAVE_CONFIG_H -I. -I../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include -I../.. -g1 -O2 -DNDEBUG -DZDOT_RETURN -c -o pseudospin/pseudospin.lo pseudospin/pseudospin.cc +/bin/sh ../../libtool --tag=CXX --mode=compile mpicxx -DHAVE_CONFIG_H -I. -I../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include -I../.. -g1 -O2 -DNDEBUG -DZDOT_RETURN -c -o pseudospin/pseudospin.lo pseudospin/pseudospin.cc libtool: compile: mpicxx -DHAVE_CONFIG_H -I. -I../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include -I../.. -g1 -O2 -DNDEBUG -DZDOT_RETURN -c pseudospin/pseudospin.cc -o pseudospin/pseudospin.o -/bin/bash ../../libtool --tag=CXX --mode=link mpicxx -I../.. -g1 -O2 -DNDEBUG -DZDOT_RETURN -L/usr/lib/aarch64-linux-gnu -Wl,-z,relro -o libbagel_prop.la multipole.lo hyperfine.lo momentum.lo momentum_london.lo momentum_point.lo current.lo overlap_point.lo moprint.lo sphmultipole.lo pseudospin/stevensop.lo pseudospin/pseudospin.lo -lxc -lboost_regex -lboost_unit_test_framework -lboost_serialization -lblas -llapack -lpthread +/bin/sh ../../libtool --tag=CXX --mode=link mpicxx -I../.. -g1 -O2 -DNDEBUG -DZDOT_RETURN -L/usr/lib/aarch64-linux-gnu -Wl,-z,relro -o libbagel_prop.la multipole.lo hyperfine.lo momentum.lo momentum_london.lo momentum_point.lo current.lo overlap_point.lo moprint.lo sphmultipole.lo pseudospin/stevensop.lo pseudospin/pseudospin.lo -lxc -lboost_regex -lboost_unit_test_framework -lboost_serialization -lblas -llapack -lpthread libtool: link: ar cru .libs/libbagel_prop.a multipole.o hyperfine.o momentum.o momentum_london.o momentum_point.o current.o overlap_point.o moprint.o sphmultipole.o pseudospin/stevensop.o pseudospin/pseudospin.o ar: `u' modifier ignored since `D' is the default (see `U') libtool: link: ranlib .libs/libbagel_prop.a @@ -3288,13 +3322,13 @@ make[4]: Entering directory '/build/bagel-1.2.2/src/ci' Making all in ciutil make[5]: Entering directory '/build/bagel-1.2.2/src/ci/ciutil' -/bin/bash ../../../libtool --tag=CXX --mode=compile mpicxx -DHAVE_CONFIG_H -I. -I../../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include -I../../.. -g1 -O2 -DNDEBUG -DZDOT_RETURN -c -o cistring.lo cistring.cc +/bin/sh ../../../libtool --tag=CXX --mode=compile mpicxx -DHAVE_CONFIG_H -I. -I../../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include -I../../.. -g1 -O2 -DNDEBUG -DZDOT_RETURN -c -o cistring.lo cistring.cc libtool: compile: mpicxx -DHAVE_CONFIG_H -I. -I../../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include -I../../.. -g1 -O2 -DNDEBUG -DZDOT_RETURN -c cistring.cc -o cistring.o -/bin/bash ../../../libtool --tag=CXX --mode=compile mpicxx -DHAVE_CONFIG_H -I. -I../../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include -I../../.. -g1 -O2 -DNDEBUG -DZDOT_RETURN -c -o cistringset.lo cistringset.cc +/bin/sh ../../../libtool --tag=CXX --mode=compile mpicxx -DHAVE_CONFIG_H -I. -I../../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include -I../../.. -g1 -O2 -DNDEBUG -DZDOT_RETURN -c -o cistringset.lo cistringset.cc libtool: compile: mpicxx -DHAVE_CONFIG_H -I. -I../../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include -I../../.. -g1 -O2 -DNDEBUG -DZDOT_RETURN -c cistringset.cc -o cistringset.o -/bin/bash ../../../libtool --tag=CXX --mode=compile mpicxx -DHAVE_CONFIG_H -I. -I../../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include -I../../.. -g1 -O2 -DNDEBUG -DZDOT_RETURN -c -o determinants_base.lo determinants_base.cc +/bin/sh ../../../libtool --tag=CXX --mode=compile mpicxx -DHAVE_CONFIG_H -I. -I../../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include -I../../.. -g1 -O2 -DNDEBUG -DZDOT_RETURN -c -o determinants_base.lo determinants_base.cc libtool: 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-L/usr/lib/aarch64-linux-gnu -Wl,-z,relro -o libbagel_mat1e.la matrix1e.lo kinetic.lo nai.lo overlap.lo hcore.lo dkhcore.lo dipolematrix.lo sohcore.lo fermicontact.lo spindipole.lo angmom.lo cap.lo giao/zhcore.lo giao/zkinetic.lo giao/zoverlap.lo giao/relhcore_london.lo giao/reloverlap_london.lo giao/small1e_london.lo giao/angmom_london.lo rel/reloverlap.lo rel/relhcore.lo rel/breitint.lo rel/reldipole.lo rel/small1e.lo rel/spinint.lo -lxc -lboost_regex -lboost_unit_test_framework -lboost_serialization -lblas -llapack -lpthread libtool: link: ar cru .libs/libbagel_mat1e.a matrix1e.o kinetic.o nai.o overlap.o hcore.o dkhcore.o dipolematrix.o sohcore.o fermicontact.o spindipole.o angmom.o cap.o giao/zhcore.o giao/zkinetic.o giao/zoverlap.o giao/relhcore_london.o giao/reloverlap_london.o giao/small1e_london.o giao/angmom_london.o rel/reloverlap.o rel/relhcore.o rel/breitint.o rel/reldipole.o rel/small1e.o rel/spinint.o ar: `u' modifier ignored since `D' is the default (see `U') libtool: link: ranlib .libs/libbagel_mat1e.a @@ -3608,11 +3642,11 @@ make[4]: Leaving directory '/build/bagel-1.2.2/src/basis' make[4]: Entering directory '/build/bagel-1.2.2/src' mpicxx -DHAVE_CONFIG_H -I. -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include -I.. -g1 -O2 -DNDEBUG -DZDOT_RETURN -c -o main.o main.cc -/bin/bash ../libtool --tag=CXX --mode=compile mpicxx -DHAVE_CONFIG_H -I. -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include -I.. -g1 -O2 -DNDEBUG -DZDOT_RETURN -c -o run_bagel.lo run_bagel.cc +/bin/sh ../libtool --tag=CXX --mode=compile mpicxx -DHAVE_CONFIG_H -I. -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include -I.. -g1 -O2 -DNDEBUG -DZDOT_RETURN -c -o run_bagel.lo run_bagel.cc libtool: compile: mpicxx -DHAVE_CONFIG_H -I. -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include -I.. -g1 -O2 -DNDEBUG -DZDOT_RETURN -c run_bagel.cc -o run_bagel.o -/bin/bash ../libtool --tag=CXX --mode=compile mpicxx -DHAVE_CONFIG_H -I. -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include -I.. -g1 -O2 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asd/dimer/libbagel_dimer.la asd/multisite/libbagel_multisite.la ci/ciutil/libbagel_ciutil.la mat1e/libbagel_mat1e.la integral/libbagel_integral.la molecule/libbagel_molecule.la util/io/libbagel_io.la util/libbagel_util.la util/parallel/libbagel_parallel.la util/math/libbagel_math.la util/input/libbagel_input.la -lxc -lboost_regex -lboost_unit_test_framework -lboost_serialization -lblas -llapack -lpthread +/bin/sh ../libtool --tag=CXX --mode=link mpicxx -I.. -g1 -O2 -DNDEBUG -DZDOT_RETURN -L/usr/lib/aarch64-linux-gnu -Wl,-z,relro -o libbagel.la -rpath /usr/lib/bagel run_bagel.lo static.lo opt/libbagel_opt.la multi/zcasscf/libbagel_zcasscf.la ci/zfci/libbagel_zfci.la ci/fci/libbagel_fci.la ci/ras/libbagel_ras.la response/libbagel_response.la scf/libbagel_scf.la multi/casscf/libbagel_casscf.la pt2/libbagel_pt2.la grad/libbagel_grad.la wfn/libbagel_wfn.la df/libbagel_df.la smith/libbagel_smith.la prop/libbagel_prop.la asd/libbagel_asd.la asd/dmrg/libbagel_asd_dmrg.la asd/orbital/libbagel_asd_orbital.la asd/dimer/libbagel_dimer.la asd/multisite/libbagel_multisite.la ci/ciutil/libbagel_ciutil.la mat1e/libbagel_mat1e.la integral/libbagel_integral.la molecule/libbagel_molecule.la util/io/libbagel_io.la util/libbagel_util.la util/parallel/libbagel_parallel.la util/math/libbagel_math.la util/input/libbagel_input.la -lxc -lboost_regex -lboost_unit_test_framework -lboost_serialization -lblas -llapack -lpthread libtool: link: (cd .libs/libbagel.lax/libbagel_opt.a && ar x "/build/bagel-1.2.2/src/opt/.libs/libbagel_opt.a") libtool: link: (cd .libs/libbagel.lax/libbagel_zcasscf.a && ar x "/build/bagel-1.2.2/src/multi/zcasscf/.libs/libbagel_zcasscf.a") libtool: link: (cd .libs/libbagel.lax/libbagel_zfci.a && ar x "/build/bagel-1.2.2/src/ci/zfci/.libs/libbagel_zfci.a") @@ -3649,7 +3683,7 @@ libtool: link: ranlib .libs/libbagel.a libtool: link: rm -fr .libs/libbagel.lax .libs/libbagel.lax libtool: link: ( cd ".libs" && rm -f "libbagel.la" && ln -s "../libbagel.la" "libbagel.la" ) -/bin/bash ../libtool --tag=CXX --mode=link mpicxx -I.. -g1 -O2 -DNDEBUG -DZDOT_RETURN -L/usr/lib/aarch64-linux-gnu -Wl,-z,relro -o BAGEL main.o libbagel.la opt/libbagel_opt.la multi/zcasscf/libbagel_zcasscf.la ci/zfci/libbagel_zfci.la ci/fci/libbagel_fci.la ci/ras/libbagel_ras.la response/libbagel_response.la scf/libbagel_scf.la multi/casscf/libbagel_casscf.la pt2/libbagel_pt2.la grad/libbagel_grad.la wfn/libbagel_wfn.la df/libbagel_df.la smith/libbagel_smith.la prop/libbagel_prop.la asd/libbagel_asd.la asd/dmrg/libbagel_asd_dmrg.la asd/orbital/libbagel_asd_orbital.la asd/dimer/libbagel_dimer.la asd/multisite/libbagel_multisite.la ci/ciutil/libbagel_ciutil.la mat1e/libbagel_mat1e.la integral/libbagel_integral.la molecule/libbagel_molecule.la util/io/libbagel_io.la util/libbagel_util.la util/parallel/libbagel_parallel.la util/math/libbagel_math.la util/input/libbagel_input.la -lxc -lboost_regex -lboost_unit_test_framework -lboost_serialization -lblas -llapack -lpthread +/bin/sh ../libtool --tag=CXX --mode=link mpicxx -I.. -g1 -O2 -DNDEBUG -DZDOT_RETURN -L/usr/lib/aarch64-linux-gnu -Wl,-z,relro -o BAGEL main.o libbagel.la opt/libbagel_opt.la multi/zcasscf/libbagel_zcasscf.la ci/zfci/libbagel_zfci.la ci/fci/libbagel_fci.la ci/ras/libbagel_ras.la response/libbagel_response.la scf/libbagel_scf.la multi/casscf/libbagel_casscf.la pt2/libbagel_pt2.la grad/libbagel_grad.la wfn/libbagel_wfn.la df/libbagel_df.la smith/libbagel_smith.la prop/libbagel_prop.la asd/libbagel_asd.la asd/dmrg/libbagel_asd_dmrg.la asd/orbital/libbagel_asd_orbital.la asd/dimer/libbagel_dimer.la asd/multisite/libbagel_multisite.la ci/ciutil/libbagel_ciutil.la mat1e/libbagel_mat1e.la integral/libbagel_integral.la molecule/libbagel_molecule.la util/io/libbagel_io.la util/libbagel_util.la util/parallel/libbagel_parallel.la util/math/libbagel_math.la util/input/libbagel_input.la -lxc -lboost_regex -lboost_unit_test_framework -lboost_serialization -lblas -llapack -lpthread libtool: link: mpicxx -I.. -g1 -O2 -DNDEBUG -DZDOT_RETURN -Wl,-z -Wl,relro -o BAGEL main.o -L/usr/lib/aarch64-linux-gnu ./.libs/libbagel.a opt/.libs/libbagel_opt.a multi/zcasscf/.libs/libbagel_zcasscf.a ci/zfci/.libs/libbagel_zfci.a ci/fci/.libs/libbagel_fci.a ci/ras/.libs/libbagel_ras.a response/.libs/libbagel_response.a scf/.libs/libbagel_scf.a multi/casscf/.libs/libbagel_casscf.a pt2/.libs/libbagel_pt2.a grad/.libs/libbagel_grad.a wfn/.libs/libbagel_wfn.a df/.libs/libbagel_df.a smith/.libs/libbagel_smith.a prop/.libs/libbagel_prop.a asd/.libs/libbagel_asd.a asd/dmrg/.libs/libbagel_asd_dmrg.a asd/orbital/.libs/libbagel_asd_orbital.a asd/dimer/.libs/libbagel_dimer.a asd/multisite/.libs/libbagel_multisite.a ci/ciutil/.libs/libbagel_ciutil.a mat1e/.libs/libbagel_mat1e.a integral/.libs/libbagel_integral.a molecule/.libs/libbagel_molecule.a util/io/.libs/libbagel_io.a util/.libs/libbagel_util.a util/parallel/.libs/libbagel_parallel.a util/math/.libs/libbagel_math.a util/input/.libs/libbagel_input.a -lxc -lboost_regex -lboost_unit_test_framework -lboost_serialization -lblas -llapack -lpthread make[4]: Leaving directory '/build/bagel-1.2.2/src' make[3]: Leaving directory '/build/bagel-1.2.2/src' @@ -3800,7 +3834,7 @@ make TestSuite make[5]: Entering directory '/build/bagel-1.2.2/src' mpicxx -DHAVE_CONFIG_H -I. -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include -I.. -g1 -O2 -DNDEBUG -DZDOT_RETURN -c -o test_main.o test_main.cc -/bin/bash ../libtool --tag=CXX --mode=link mpicxx -I.. -g1 -O2 -DNDEBUG -DZDOT_RETURN -L/usr/lib/aarch64-linux-gnu -Wl,-z,relro -o TestSuite test_main.o libbagel.la opt/libbagel_opt.la multi/zcasscf/libbagel_zcasscf.la ci/zfci/libbagel_zfci.la ci/fci/libbagel_fci.la ci/ras/libbagel_ras.la response/libbagel_response.la scf/libbagel_scf.la multi/casscf/libbagel_casscf.la pt2/libbagel_pt2.la grad/libbagel_grad.la wfn/libbagel_wfn.la df/libbagel_df.la smith/libbagel_smith.la prop/libbagel_prop.la asd/libbagel_asd.la asd/dmrg/libbagel_asd_dmrg.la asd/orbital/libbagel_asd_orbital.la asd/dimer/libbagel_dimer.la asd/multisite/libbagel_multisite.la ci/ciutil/libbagel_ciutil.la mat1e/libbagel_mat1e.la integral/libbagel_integral.la molecule/libbagel_molecule.la util/io/libbagel_io.la util/libbagel_util.la util/parallel/libbagel_parallel.la util/math/libbagel_math.la util/input/libbagel_input.la -lxc -lboost_regex -lboost_unit_test_framework -lboost_serialization -lblas -llapack -lpthread +/bin/sh ../libtool --tag=CXX --mode=link mpicxx -I.. -g1 -O2 -DNDEBUG -DZDOT_RETURN -L/usr/lib/aarch64-linux-gnu -Wl,-z,relro -o TestSuite test_main.o libbagel.la opt/libbagel_opt.la multi/zcasscf/libbagel_zcasscf.la ci/zfci/libbagel_zfci.la ci/fci/libbagel_fci.la ci/ras/libbagel_ras.la response/libbagel_response.la scf/libbagel_scf.la multi/casscf/libbagel_casscf.la pt2/libbagel_pt2.la grad/libbagel_grad.la wfn/libbagel_wfn.la df/libbagel_df.la smith/libbagel_smith.la prop/libbagel_prop.la asd/libbagel_asd.la asd/dmrg/libbagel_asd_dmrg.la asd/orbital/libbagel_asd_orbital.la asd/dimer/libbagel_dimer.la asd/multisite/libbagel_multisite.la ci/ciutil/libbagel_ciutil.la mat1e/libbagel_mat1e.la integral/libbagel_integral.la molecule/libbagel_molecule.la util/io/libbagel_io.la util/libbagel_util.la util/parallel/libbagel_parallel.la util/math/libbagel_math.la util/input/libbagel_input.la -lxc -lboost_regex -lboost_unit_test_framework -lboost_serialization -lblas -llapack -lpthread libtool: link: mpicxx -I.. -g1 -O2 -DNDEBUG -DZDOT_RETURN -Wl,-z -Wl,relro -o TestSuite test_main.o -L/usr/lib/aarch64-linux-gnu ./.libs/libbagel.a opt/.libs/libbagel_opt.a multi/zcasscf/.libs/libbagel_zcasscf.a ci/zfci/.libs/libbagel_zfci.a ci/fci/.libs/libbagel_fci.a ci/ras/.libs/libbagel_ras.a response/.libs/libbagel_response.a scf/.libs/libbagel_scf.a multi/casscf/.libs/libbagel_casscf.a pt2/.libs/libbagel_pt2.a grad/.libs/libbagel_grad.a wfn/.libs/libbagel_wfn.a df/.libs/libbagel_df.a smith/.libs/libbagel_smith.a prop/.libs/libbagel_prop.a asd/.libs/libbagel_asd.a asd/dmrg/.libs/libbagel_asd_dmrg.a asd/orbital/.libs/libbagel_asd_orbital.a asd/dimer/.libs/libbagel_dimer.a asd/multisite/.libs/libbagel_multisite.a ci/ciutil/.libs/libbagel_ciutil.a mat1e/.libs/libbagel_mat1e.a integral/.libs/libbagel_integral.a molecule/.libs/libbagel_molecule.a util/io/.libs/libbagel_io.a util/.libs/libbagel_util.a util/parallel/.libs/libbagel_parallel.a util/math/.libs/libbagel_math.a util/input/.libs/libbagel_input.a -lxc -lboost_regex -lboost_unit_test_framework -lboost_serialization -lblas -llapack -lpthread make[5]: Leaving directory '/build/bagel-1.2.2/src' make[4]: Leaving directory '/build/bagel-1.2.2/src' @@ -3810,7 +3844,7 @@ make[2]: Leaving directory '/build/bagel-1.2.2' mkdir -p /build/bagel-1.2.2/src/testsuite (cd /build/bagel-1.2.2/src/testsuite; ../TestSuite --log_level=all) - codethink-sled11-arm64 + i-capture-the-hostname Running 31 test cases... Entering test module "Suites" @@ -3833,99 +3867,99 @@ ../src/testimpl/test_scf.cc(103): info: check compare(scf_energy("hbr_ecp_sohf"), -13.68431370) has passed ../src/testimpl/test_scf.cc(104): info: check compare(scf_energy("h2o_svp_fmm"), -151.91459783) has passed ../src/testimpl/test_scf.cc(106): info: check compare(scf_energy("h2o_svp_fmm_restart"),-151.91459783) has passed -../src/testimpl/test_scf.cc(86): Leaving test case "DF_HF"; testing time: 24713636us -../src/testimpl/test_scf.cc(84): Leaving test suite "TEST_SCF"; testing time: 24713685us +../src/testimpl/test_scf.cc(86): Leaving test case "DF_HF"; testing time: 23925966us +../src/testimpl/test_scf.cc(84): Leaving test suite "TEST_SCF"; testing time: 23926016us ../src/testimpl/test_molden.cc(98): Entering test suite "TEST_MOLDEN" ../src/testimpl/test_molden.cc(100): Entering test case "MOLDEN" ../src/testimpl/test_molden.cc(101): info: check compare(molden_out_energy("hf_write_mol_sph", "hf_read_mol_sph"), -99.84772354 ) has passed ../src/testimpl/test_molden.cc(102): info: check compare(molden_out_energy("hf_write_mol_cart", "hf_read_mol_cart"), -99.84911270 ) has passed -../src/testimpl/test_molden.cc(100): Leaving test case "MOLDEN"; testing time: 642745us -../src/testimpl/test_molden.cc(98): Leaving test suite "TEST_MOLDEN"; testing time: 642798us +../src/testimpl/test_molden.cc(100): Leaving test case "MOLDEN"; testing time: 605793us +../src/testimpl/test_molden.cc(98): Leaving test suite "TEST_MOLDEN"; testing time: 605851us ../src/testimpl/test_prop.cc(67): Entering test suite "TEST_PROP" ../src/testimpl/test_prop.cc(69): Entering test case "MULTIPOLE" ../src/testimpl/test_prop.cc(70): info: check compare>(multipole("hf_svp_dfhf"), hf_svp_dfhf_multipole_ref(), 1.0e-6) has passed -../src/testimpl/test_prop.cc(69): Leaving test case "MULTIPOLE"; testing time: 280029us -../src/testimpl/test_prop.cc(67): Leaving test suite "TEST_PROP"; testing time: 280083us +../src/testimpl/test_prop.cc(69): Leaving test case "MULTIPOLE"; testing time: 247509us +../src/testimpl/test_prop.cc(67): Leaving test suite "TEST_PROP"; testing time: 247572us ../src/testimpl/test_ks.cc(61): Entering test suite "TEST_KS" ../src/testimpl/test_ks.cc(63): Entering test case "DF_KS" ../src/testimpl/test_ks.cc(64): info: check compare(ks_energy("hf_svp_b3lyp"), -100.28959774) has passed -../src/testimpl/test_ks.cc(63): Leaving test case "DF_KS"; testing time: 3113196us -../src/testimpl/test_ks.cc(61): Leaving test suite "TEST_KS"; testing time: 3113251us +../src/testimpl/test_ks.cc(63): Leaving test case "DF_KS"; testing time: 2856075us +../src/testimpl/test_ks.cc(61): Leaving test suite "TEST_KS"; testing time: 2856135us ../src/testimpl/test_rel.cc(66): Entering test suite "TEST_REL" ../src/testimpl/test_rel.cc(68): Entering test case "DIRAC_FOCK" ../src/testimpl/test_rel.cc(69): info: check compare(rel_energy("hf_svp_coulomb"), -99.93791152) has passed ../src/testimpl/test_rel.cc(70): info: check compare(rel_energy("hf_svp_gaunt"), -99.92699858) has passed ../src/testimpl/test_rel.cc(71): info: check compare(rel_energy("hf_svp_breit"), -99.92755305) has passed -../src/testimpl/test_rel.cc(68): Leaving test case "DIRAC_FOCK"; testing time: 30038688us -../src/testimpl/test_rel.cc(66): Leaving test suite "TEST_REL"; testing time: 30038762us +../src/testimpl/test_rel.cc(68): Leaving test case "DIRAC_FOCK"; testing time: 28429064us +../src/testimpl/test_rel.cc(66): Leaving test suite "TEST_REL"; testing time: 28429123us ../src/testimpl/test_mp2.cc(58): Entering test suite "TEST_MP2" ../src/testimpl/test_mp2.cc(60): Entering test case "MP2" ../src/testimpl/test_mp2.cc(61): info: check compare(mp2_energy("benzene_svp_mp2"), -231.31440958) has passed ../src/testimpl/test_mp2.cc(62): info: check compare(mp2_energy("benzene_svp_mp2_aux"), -231.31450878) has passed -../src/testimpl/test_mp2.cc(60): Leaving test case "MP2"; testing time: 92646923us -../src/testimpl/test_mp2.cc(58): Leaving test suite "TEST_MP2"; testing time: 92646980us +../src/testimpl/test_mp2.cc(60): Leaving test case "MP2"; testing time: 87263187us +../src/testimpl/test_mp2.cc(58): Leaving test suite "TEST_MP2"; testing time: 87263245us ../src/testimpl/test_casscf.cc(62): Entering test suite "TEST_CASSCF" ../src/testimpl/test_casscf.cc(64): Entering test case "DF_CASSCF" ../src/testimpl/test_casscf.cc(65): info: check compare(cas_energy("h2o_svp_cas"), -76.00368392) has passed ../src/testimpl/test_casscf.cc(66): info: check compare(cas_energy("lif_svp_cas22"), -106.70563743) has passed ../src/testimpl/test_casscf.cc(67): info: check compare(cas_energy("li2_tzvpp_cas43"), -14.87300366) has passed ../src/testimpl/test_casscf.cc(68): info: check compare(cas_energy("lih_tzvpp_cas22"), -7.98191070) has passed -../src/testimpl/test_casscf.cc(64): Leaving test case "DF_CASSCF"; testing time: 5310235us -../src/testimpl/test_casscf.cc(62): Leaving test suite "TEST_CASSCF"; testing time: 5310289us +../src/testimpl/test_casscf.cc(64): Leaving test case "DF_CASSCF"; testing time: 4971933us +../src/testimpl/test_casscf.cc(62): Leaving test suite "TEST_CASSCF"; testing time: 4971994us ../src/testimpl/test_fci.cc(103): Entering test suite "TEST_FCI" ../src/testimpl/test_fci.cc(105): Entering test case "KNOWLES_HANDY" ../src/testimpl/test_fci.cc(106): info: check compare(fci_energy("hf_sto3g_fci_kh"), reference_fci_energy()) has passed ../src/testimpl/test_fci.cc(110): info: check compare(fci_energy("hhe_svp_fci_kh_trip"), reference_fci_energy2()) has passed -../src/testimpl/test_fci.cc(105): Leaving test case "KNOWLES_HANDY"; testing time: 575835us +../src/testimpl/test_fci.cc(105): Leaving test case "KNOWLES_HANDY"; testing time: 483440us ../src/testimpl/test_fci.cc(113): Entering test case "HARRISON_ZARRABIAN" ../src/testimpl/test_fci.cc(114): info: check compare(fci_energy("hf_sto3g_fci_hz"), reference_fci_energy()) has passed ../src/testimpl/test_fci.cc(115): info: check compare(fci_energy("hhe_svp_fci_hz_trip"), reference_fci_energy2()) has passed -../src/testimpl/test_fci.cc(113): Leaving test case "HARRISON_ZARRABIAN"; testing time: 538147us +../src/testimpl/test_fci.cc(113): Leaving test case "HARRISON_ZARRABIAN"; testing time: 475076us ../src/testimpl/test_fci.cc(119): Entering test case "DIST_FCI" ../src/testimpl/test_fci.cc(120): info: check compare(fci_energy("hf_sto3g_fci_dist"), reference_fci_energy()) has passed -../src/testimpl/test_fci.cc(119): Leaving test case "DIST_FCI"; testing time: 263048us -../src/testimpl/test_fci.cc(103): Leaving test suite "TEST_FCI"; testing time: 1377208us +../src/testimpl/test_fci.cc(119): Leaving test case "DIST_FCI"; testing time: 232574us +../src/testimpl/test_fci.cc(103): Leaving test suite "TEST_FCI"; testing time: 1191274us ../src/testimpl/test_zfci.cc(105): Entering test suite "TEST_RELFCI" ../src/testimpl/test_zfci.cc(107): Entering test case "ZHARRISON" ../src/testimpl/test_zfci.cc(108): info: check compare(relfci_energy("hf_sto3g_relfci_coulomb"), reference_relfci_energy()) has passed ../src/testimpl/test_zfci.cc(109): info: check compare(relfci_energy("hf_sto3g_relfci_gaunt"), reference_relfci_energy2()) has passed ../src/testimpl/test_zfci.cc(110): info: check compare(relfci_energy("hf_sto3g_relfci_breit"), reference_relfci_energy3()) has passed -../src/testimpl/test_zfci.cc(107): Leaving test case "ZHARRISON"; testing time: 12513168us -../src/testimpl/test_zfci.cc(105): Leaving test suite "TEST_RELFCI"; testing time: 12513222us +../src/testimpl/test_zfci.cc(107): Leaving test case "ZHARRISON"; testing time: 11165027us +../src/testimpl/test_zfci.cc(105): Leaving test suite "TEST_RELFCI"; testing time: 11165092us ../src/testimpl/test_zcasscf.cc(98): Entering test suite "TEST_RELCAS" ../src/testimpl/test_zcasscf.cc(100): Entering test case "ZCASSCF" Test case TEST_RELCAS/ZCASSCF did not check any assertions -../src/testimpl/test_zcasscf.cc(100): Leaving test case "ZCASSCF"; testing time: 696us -../src/testimpl/test_zcasscf.cc(98): Leaving test suite "TEST_RELCAS"; testing time: 805us +../src/testimpl/test_zcasscf.cc(100): Leaving test case "ZCASSCF"; testing time: 675us +../src/testimpl/test_zcasscf.cc(98): Leaving test suite "TEST_RELCAS"; testing time: 832us ../src/testimpl/test_ras.cc(92): Entering test suite "TEST_RAS" ../src/testimpl/test_ras.cc(94): Entering test case "FCI_EQUIVALENT" ../src/testimpl/test_ras.cc(95): info: check compare(ras_energy("h2o_sto3g_ras_full"), reference_ras_energy_h2o_full()) has passed ../src/testimpl/test_ras.cc(96): info: check compare(ras_energy("hhe_svp_ras_full"), reference_ras_energy_hhe_full()) has passed -../src/testimpl/test_ras.cc(94): Leaving test case "FCI_EQUIVALENT"; testing time: 694085us +../src/testimpl/test_ras.cc(94): Leaving test case "FCI_EQUIVALENT"; testing time: 653594us ../src/testimpl/test_ras.cc(99): Entering test case "RESTRICTED" ../src/testimpl/test_ras.cc(100): info: check compare(ras_energy("h2o_sto3g_ras_restricted"), reference_ras_energy_h2o_restricted()) has passed ../src/testimpl/test_ras.cc(101): info: check compare(ras_energy("hhe_svp_ras_restricted"), reference_ras_energy_hhe_restricted()) has passed -../src/testimpl/test_ras.cc(99): Leaving test case "RESTRICTED"; testing time: 484403us -../src/testimpl/test_ras.cc(92): Leaving test suite "TEST_RAS"; testing time: 1178597us +../src/testimpl/test_ras.cc(99): Leaving test case "RESTRICTED"; testing time: 390434us +../src/testimpl/test_ras.cc(92): Leaving test suite "TEST_RAS"; testing time: 1044176us ../src/testimpl/test_nevpt2.cc(58): Entering test suite "TEST_NEVPT2" ../src/testimpl/test_nevpt2.cc(60): Entering test case "NEVPT2" ../src/testimpl/test_nevpt2.cc(61): info: check compare(nevpt2_energy("h2o_svp_nevpt2"), -76.0205249495) has passed -../src/testimpl/test_nevpt2.cc(60): Leaving test case "NEVPT2"; testing time: 1177803us -../src/testimpl/test_nevpt2.cc(58): Leaving test suite "TEST_NEVPT2"; testing time: 1177864us +../src/testimpl/test_nevpt2.cc(60): Leaving test case "NEVPT2"; testing time: 1087110us +../src/testimpl/test_nevpt2.cc(58): Leaving test suite "TEST_NEVPT2"; testing time: 1087171us ../src/testimpl/test_force.cc(102): Entering test suite "TEST_FORCE" ../src/testimpl/test_force.cc(104): Entering test case "Deriv_Coup" ../src/testimpl/test_force.cc(105): info: check compare(run_force("lif_svp_cas_nacme"), reference_cas_nacme(), 1.0e-5) has passed ../src/testimpl/test_force.cc(107): info: check compare(run_force("lif_svp_xmscaspt2_nacme"), reference_xms_nacme(), 1.0e-5) has passed -../src/testimpl/test_force.cc(104): Leaving test case "Deriv_Coup"; testing time: 4794194us +../src/testimpl/test_force.cc(104): Leaving test case "Deriv_Coup"; testing time: 4634658us ../src/testimpl/test_force.cc(111): Entering test case "Finite_Grad" ../src/testimpl/test_force.cc(112): info: check compare(run_force("hf_mix_dfhf_finite"), reference_scf_finite_mix(), 1.0e-5) has passed ../src/testimpl/test_force.cc(113): info: check compare(run_force("hf_svp_mp2_aux_finite"), reference_svp_mp2_aux_finite(), 1.0e-5) has passed ../src/testimpl/test_force.cc(115): info: check compare(run_force("lif_svp_xmscaspt2_finite"), reference_xms_finite(), 1.0e-5) has passed -../src/testimpl/test_force.cc(111): Leaving test case "Finite_Grad"; testing time: 14472863us +../src/testimpl/test_force.cc(111): Leaving test case "Finite_Grad"; testing time: 13708025us ../src/testimpl/test_force.cc(119): Entering test case "Hcore_Grad" ../src/testimpl/test_force.cc(120): info: check compare(run_force("hf_svp_dfhf_dkh_grad"), reference_dkh_grad(), 1.0e-5) has passed -../src/testimpl/test_force.cc(119): Leaving test case "Hcore_Grad"; testing time: 421121us -../src/testimpl/test_force.cc(102): Leaving test suite "TEST_FORCE"; testing time: 19688353us +../src/testimpl/test_force.cc(119): Leaving test case "Hcore_Grad"; testing time: 392938us +../src/testimpl/test_force.cc(102): Leaving test suite "TEST_FORCE"; testing time: 18735814us ../src/testimpl/test_opt.cc(146): Entering test suite "TEST_OPT" ../src/testimpl/test_opt.cc(148): Entering test case "DF_HF_Opt" ../src/testimpl/test_opt.cc(149): info: check compare(run_opt("hf_svp_dfhf_opt"), reference_scf_opt(), 1.0e-4) has passed @@ -3935,43 +3969,43 @@ ../src/testimpl/test_opt.cc(153): info: check compare(run_opt("hc_svp_rohf_opt"), reference_rohf_opt(), 1.0e-4) has passed ../src/testimpl/test_opt.cc(154): info: check compare(run_opt("hcl_svp_dfhf_opt"), reference_hcl_opt(), 1.0e-4) has passed ../src/testimpl/test_opt.cc(155): info: check compare(run_opt("hf_svp_coulomb_opt"), reference_dcf_opt(), 1.0e-4) has passed -../src/testimpl/test_opt.cc(148): Leaving test case "DF_HF_Opt"; testing time: 10136311us +../src/testimpl/test_opt.cc(148): Leaving test case "DF_HF_Opt"; testing time: 9503700us ../src/testimpl/test_opt.cc(158): Entering test case "DF_KS_Opt" ../src/testimpl/test_opt.cc(159): info: check compare(run_opt("hf_svp_b3lyp_opt"), reference_ks_opt(), 1.0e-4) has passed -../src/testimpl/test_opt.cc(158): Leaving test case "DF_KS_Opt"; testing time: 10307551us +../src/testimpl/test_opt.cc(158): Leaving test case "DF_KS_Opt"; testing time: 9509351us ../src/testimpl/test_opt.cc(162): Entering test case "MP2_Opt" ../src/testimpl/test_opt.cc(163): info: check compare>(run_opt("hf_svp_mp2_opt"), reference_mp2_opt(), 1.0e-4) has passed ../src/testimpl/test_opt.cc(164): info: check compare>(run_opt("hf_svp_mp2_aux_opt"), reference_mp2_aux_opt(), 1.0e-4) has passed -../src/testimpl/test_opt.cc(162): Leaving test case "MP2_Opt"; testing time: 2801259us +../src/testimpl/test_opt.cc(162): Leaving test case "MP2_Opt"; testing time: 2687124us ../src/testimpl/test_opt.cc(166): Entering test case "CASSCF_Opt" ../src/testimpl/test_opt.cc(167): info: check compare>(run_opt("hf_svp_cas_opt"), reference_cas_opt(), 1.0e-4) has passed ../src/testimpl/test_opt.cc(168): info: check compare>(run_opt("hf_svp_sacas_opt"), reference_sacas_opt(), 1.0e-4) has passed ../src/testimpl/test_opt.cc(169): info: check compare>(run_opt("ch2_sto3g_meci_opt"),reference_ch2_opt(), 1.0e-4) has passed -../src/testimpl/test_opt.cc(166): Leaving test case "CASSCF_Opt"; testing time: 10748692us -../src/testimpl/test_opt.cc(146): Leaving test suite "TEST_OPT"; testing time: 33994109us +../src/testimpl/test_opt.cc(166): Leaving test case "CASSCF_Opt"; testing time: 10000317us +../src/testimpl/test_opt.cc(146): Leaving test suite "TEST_OPT"; testing time: 31700740us ../src/testimpl/test_localize.cc(75): Entering test suite "TEST_LOCALIZE" ../src/testimpl/test_localize.cc(77): Entering test case "PML" ../src/testimpl/test_localize.cc(78): info: check compare(localization("benzene_sto3g_pml"),0.7951349703, 0.000001) has passed ../src/testimpl/test_localize.cc(79): info: check compare(localization("watertrimer_sto3g_pml_region"),0.9999109690, 0.000001) has passed -../src/testimpl/test_localize.cc(77): Leaving test case "PML"; testing time: 1151750us +../src/testimpl/test_localize.cc(77): Leaving test case "PML"; testing time: 1112752us ../src/testimpl/test_localize.cc(82): Entering test case "REGION" ../src/testimpl/test_localize.cc(83): info: check compare(localization("watertrimer_sto3g_rl"), 0.0) has passed -../src/testimpl/test_localize.cc(82): Leaving test case "REGION"; testing time: 248538us -../src/testimpl/test_localize.cc(75): Leaving test suite "TEST_LOCALIZE"; testing time: 1400399us +../src/testimpl/test_localize.cc(82): Leaving test case "REGION"; testing time: 226464us +../src/testimpl/test_localize.cc(75): Leaving test suite "TEST_LOCALIZE"; testing time: 1339339us ../src/testimpl/test_asd.cc(162): Entering test suite "TEST_ASD" ../src/testimpl/test_asd.cc(164): Entering test case "CAS" ../src/testimpl/test_asd.cc(165): info: check compare(asd_energy("benzene_sto3g_asd_stack"), -459.40037137, 1.0e-6) has passed ../src/testimpl/test_asd.cc(166): info: check compare(asd_energy("benzene_sto3g_asd_T"), -459.36294726, 1.0e-6) has passed -../src/testimpl/test_asd.cc(164): Leaving test case "CAS"; testing time: 46655411us +../src/testimpl/test_asd.cc(164): Leaving test case "CAS"; testing time: 44192354us ../src/testimpl/test_asd.cc(169): Entering test case "RAS" ../src/testimpl/test_asd.cc(172): info: check compare(asd_models("benzene_sto3g_asd-ras_stack"), std::vector{{ 0.000000000, 0.000047060, 0.000047060, 0.000000000, -0.001758099, 0.001599564, 0.001599564, -0.001758099 }}, 1.0e-6) has passed -../src/testimpl/test_asd.cc(169): Leaving test case "RAS"; testing time: 20546265us -../src/testimpl/test_asd.cc(162): Leaving test suite "TEST_ASD"; testing time: 67201790us +../src/testimpl/test_asd.cc(169): Leaving test case "RAS"; testing time: 19596851us +../src/testimpl/test_asd.cc(162): Leaving test suite "TEST_ASD"; testing time: 63789330us ../src/testimpl/test_asd_dmrg.cc(68): Entering test suite "TEST_ASD_DMRG" ../src/testimpl/test_asd_dmrg.cc(70): Entering test case "RASD_DMRG" ../src/testimpl/test_asd_dmrg.cc(71): info: check compare(asd_dmrg_energy("he3_svp_asd-dmrg"), -8.59391356, 1.0e-8) has passed -../src/testimpl/test_asd_dmrg.cc(70): Leaving test case "RASD_DMRG"; testing time: 19836910us -../src/testimpl/test_asd_dmrg.cc(68): Leaving test suite "TEST_ASD_DMRG"; testing time: 19836972us +../src/testimpl/test_asd_dmrg.cc(70): Leaving test case "RASD_DMRG"; testing time: 18467466us +../src/testimpl/test_asd_dmrg.cc(68): Leaving test suite "TEST_ASD_DMRG"; testing time: 18467518us ../src/testimpl/test_london.cc(67): Entering test suite "TEST_LONDON" ../src/testimpl/test_london.cc(69): Entering test case "LONDON" ../src/testimpl/test_london.cc(70): info: check compare(london_energy("hf_svp_london_hf"), -99.70397733) has passed @@ -3982,13 +4016,13 @@ ../src/testimpl/test_london.cc(75): info: check compare(london_energy("hcl_svp_london_coulomb"), -459.16442992) has passed ../src/testimpl/test_london.cc(76): info: check compare(london_energy("hcl_svp_common_coulomb"), -457.89462676) has passed ../src/testimpl/test_london.cc(77): info: check compare(london_energy("hcl_svp_common_gaunt"), -454.55922514) has passed -../src/testimpl/test_london.cc(69): Leaving test case "LONDON"; testing time: 95093570us -../src/testimpl/test_london.cc(67): Leaving test suite "TEST_LONDON"; testing time: 95093625us +../src/testimpl/test_london.cc(69): Leaving test case "LONDON"; testing time: 95825857us +../src/testimpl/test_london.cc(67): Leaving test suite "TEST_LONDON"; testing time: 95825915us ../src/testimpl/test_pseudospin.cc(96): Entering test suite "TEST_PSEUDOSPIN" ../src/testimpl/test_pseudospin.cc(98): Entering test case "ZFSPLITTING" Test case TEST_PSEUDOSPIN/ZFSPLITTING did not check any assertions -../src/testimpl/test_pseudospin.cc(98): Leaving test case "ZFSPLITTING"; testing time: 557us -../src/testimpl/test_pseudospin.cc(96): Leaving test suite "TEST_PSEUDOSPIN"; testing time: 633us +../src/testimpl/test_pseudospin.cc(98): Leaving test case "ZFSPLITTING"; testing time: 683us +../src/testimpl/test_pseudospin.cc(96): Leaving test suite "TEST_PSEUDOSPIN"; testing time: 776us ../src/testimpl/test_smith.cc(59): Entering test suite "TEST_SMITH" ../src/testimpl/test_smith.cc(61): Entering test case "CASPT2_Opt" ../src/testimpl/test_smith.cc(62): info: check compare(run_force("li2_svp_caspt2_grad"), reference_noshift(), 1.0e-5) has passed @@ -3996,14 +4030,14 @@ ../src/testimpl/test_smith.cc(64): info: check compare(run_force("lif_svp_mscaspt2_grad"), reference_ms(), 1.0e-5) has passed ../src/testimpl/test_smith.cc(65): info: check compare(run_force("lif_svp_xmscaspt2_grad"), reference_xms(), 1.0e-5) has passed ../src/testimpl/test_smith.cc(66): info: check compare(run_force("lif_svp_xmscaspt2_grad_imag"), reference_xms_imag(), 1.0e-5) has passed -../src/testimpl/test_smith.cc(61): Leaving test case "CASPT2_Opt"; testing time: 15722483us -../src/testimpl/test_smith.cc(59): Leaving test suite "TEST_SMITH"; testing time: 15722533us +../src/testimpl/test_smith.cc(61): Leaving test case "CASPT2_Opt"; testing time: 17186596us +../src/testimpl/test_smith.cc(59): Leaving test suite "TEST_SMITH"; testing time: 17186655us ../src/testimpl/test_response.cc(67): Entering test suite "TEST_RESPONSE" ../src/testimpl/test_response.cc(69): Entering test case "CIS" ../src/testimpl/test_response.cc(70): info: check compare>(cis_energy("hf_svp_cis"), hf_svp_cis_ref(), 1.0e-6) has passed -../src/testimpl/test_response.cc(69): Leaving test case "CIS"; testing time: 246466us -../src/testimpl/test_response.cc(67): Leaving test suite "TEST_RESPONSE"; testing time: 246519us -Leaving test module "Suites"; testing time: 426179588us +../src/testimpl/test_response.cc(69): Leaving test case "CIS"; testing time: 293487us +../src/testimpl/test_response.cc(67): Leaving test suite "TEST_RESPONSE"; testing time: 293538us +Leaving test module "Suites"; testing time: 410129364us  *** No errors detected make[1]: Leaving directory '/build/bagel-1.2.2' @@ -4249,14 +4283,14 @@ make[4]: Entering directory '/build/bagel-1.2.2/src' make[5]: Entering directory '/build/bagel-1.2.2/src' /bin/mkdir -p '/build/bagel-1.2.2/debian/tmp/usr/lib/bagel' - /bin/bash ../libtool --mode=install /usr/bin/install -c libbagel.la '/build/bagel-1.2.2/debian/tmp/usr/lib/bagel' + /bin/sh ../libtool --mode=install /usr/bin/install -c libbagel.la '/build/bagel-1.2.2/debian/tmp/usr/lib/bagel' libtool: install: /usr/bin/install -c .libs/libbagel.lai /build/bagel-1.2.2/debian/tmp/usr/lib/bagel/libbagel.la libtool: install: /usr/bin/install -c .libs/libbagel.a /build/bagel-1.2.2/debian/tmp/usr/lib/bagel/libbagel.a libtool: install: chmod 644 /build/bagel-1.2.2/debian/tmp/usr/lib/bagel/libbagel.a libtool: install: ranlib /build/bagel-1.2.2/debian/tmp/usr/lib/bagel/libbagel.a libtool: warning: remember to run 'libtool --finish /usr/lib/bagel' /bin/mkdir -p '/build/bagel-1.2.2/debian/tmp/usr/bin' - /bin/bash ../libtool --mode=install /usr/bin/install -c BAGEL '/build/bagel-1.2.2/debian/tmp/usr/bin' + /bin/sh ../libtool --mode=install /usr/bin/install -c BAGEL '/build/bagel-1.2.2/debian/tmp/usr/bin' libtool: install: /usr/bin/install -c BAGEL /build/bagel-1.2.2/debian/tmp/usr/bin/BAGEL /bin/mkdir -p '/build/bagel-1.2.2/debian/tmp/usr/include' /usr/bin/install -c -m 644 bagel.h '/build/bagel-1.2.2/debian/tmp/usr/include' @@ -4290,9 +4324,9 @@ dh_strip -O--max-parallel=1 dh_makeshlibs -O--max-parallel=1 dh_shlibdeps -O--max-parallel=1 -dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/bagel/usr/bin/BAGEL was not linked against libboost_unit_test_framework.so.1.67.0 (it uses none of the library's symbols) dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/bagel/usr/bin/BAGEL was not linked against libmpichcxx.so.12 (it uses none of the library's symbols) dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/bagel/usr/bin/BAGEL was not linked against libboost_regex.so.1.67.0 (it uses none of the library's symbols) +dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/bagel/usr/bin/BAGEL was not linked against libboost_unit_test_framework.so.1.67.0 (it uses none of the library's symbols) dh_installdeb -O--max-parallel=1 dh_gencontrol -O--max-parallel=1 dh_md5sums -O--max-parallel=1 @@ -4305,12 +4339,14 @@ dpkg-source --after-build . dpkg-buildpackage: info: binary-only upload (no source included) I: copying local configuration +I: user script /srv/workspace/pbuilder/24433/tmp/hooks/B01_cleanup starting +I: user script /srv/workspace/pbuilder/24433/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/10903 and its subdirectories -I: Current time: Sat Sep 4 09:04:01 -12 2021 -I: pbuilder-time-stamp: 1630789441 +I: removing directory /srv/workspace/pbuilder/24433 and its subdirectories +I: Current time: Mon Aug 3 12:05:38 +14 2020 +I: pbuilder-time-stamp: 1596405938