Diff of the two buildlogs: -- --- b1/build.log 2021-12-08 22:03:31.630255163 +0000 +++ b2/build.log 2021-12-08 22:28:47.999055924 +0000 @@ -1,6 +1,6 @@ I: pbuilder: network access will be disabled during build -I: Current time: Tue Jan 10 16:16:56 -12 2023 -I: pbuilder-time-stamp: 1673410616 +I: Current time: Thu Dec 9 12:03:33 +14 2021 +I: pbuilder-time-stamp: 1639001013 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 '/root/.gnupg/trustedkeys.kbx': General error -gpgv: Signature made Sun Oct 26 07:15:58 2014 -12 +gpgv: Signature made Mon Oct 27 09:15:58 2014 +14 gpgv: using RSA key DC686A27B43481B0 gpgv: Can't check signature: No public key dpkg-source: warning: failed to verify signature on ./molds_0.3.1-1.dsc @@ -30,136 +30,170 @@ dpkg-source: info: applying fix-ftbfs-with-GCC-4.9.patch I: using fakeroot in build. I: Installing the build-deps -I: user script /srv/workspace/pbuilder/3427280/tmp/hooks/D02_print_environment starting +I: user script /srv/workspace/pbuilder/2468478/tmp/hooks/D01_modify_environment starting +debug: Running on ionos11-amd64. +I: Changing host+domainname to test build reproducibility +I: Adding a custom variable just for the fun of it... +I: Changing /bin/sh to bash +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/2468478/tmp/hooks/D01_modify_environment finished +I: user script /srv/workspace/pbuilder/2468478/tmp/hooks/D02_print_environment starting I: set - BUILDDIR='/build' - BUILDUSERGECOS='first user,first room,first work-phone,first home-phone,first other' - BUILDUSERNAME='pbuilder1' - BUILD_ARCH='amd64' - DEBIAN_FRONTEND='noninteractive' - DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=16' - DISTRIBUTION='' - HOME='/root' - HOST_ARCH='amd64' + 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]="x86_64-pc-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=amd64 + DEBIAN_FRONTEND=noninteractive + DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=15' + DIRSTACK=() + DISTRIBUTION= + EUID=0 + FUNCNAME=([0]="Echo" [1]="main") + GROUPS=() + HOME=/root + HOSTNAME=i-capture-the-hostname + HOSTTYPE=x86_64 + HOST_ARCH=amd64 IFS=' ' - INVOCATION_ID='002d5d8985254ee895959cfa1f43455b' - 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='3427280' - PS1='# ' - PS2='> ' + INVOCATION_ID=a13c55c207714ef4badc0d6269f781c0 + LANG=C + LANGUAGE=et_EE:et + LC_ALL=C + MACHTYPE=x86_64-pc-linux-gnu + MAIL=/var/mail/root + OPTERR=1 + OPTIND=1 + OSTYPE=linux-gnu + PATH=/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path + PBCURRENTCOMMANDLINEOPERATION=build + PBUILDER_OPERATION=build + PBUILDER_PKGDATADIR=/usr/share/pbuilder + PBUILDER_PKGLIBDIR=/usr/lib/pbuilder + PBUILDER_SYSCONFDIR=/etc + PIPESTATUS=([0]="0") + POSIXLY_CORRECT=y + PPID=2468478 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.kKxknfhLaG/pbuilderrc_yo3F --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/buster-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/tmp.kKxknfhLaG/b1 --logfile b1/build.log molds_0.3.1-1.dsc' - SUDO_GID='111' - SUDO_UID='106' - SUDO_USER='jenkins' - TERM='unknown' - TZ='/usr/share/zoneinfo/Etc/GMT+12' - USER='root' - _='/usr/bin/systemd-run' - http_proxy='http://85.184.249.68:3128' + 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.kKxknfhLaG/pbuilderrc_60el --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/buster-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/tmp.kKxknfhLaG/b2 --logfile b2/build.log molds_0.3.1-1.dsc' + SUDO_GID=111 + SUDO_UID=106 + SUDO_USER=jenkins + TERM=unknown + TZ=/usr/share/zoneinfo/Etc/GMT-14 + UID=0 + USER=root + _='I: set' + http_proxy=http://78.137.99.97:3128 I: uname -a - Linux ionos15-amd64 5.14.0-0.bpo.2-amd64 #1 SMP Debian 5.14.9-2~bpo11+1 (2021-10-10) x86_64 GNU/Linux + Linux i-capture-the-hostname 5.10.0-9-amd64 #1 SMP Debian 5.10.70-1 (2021-09-30) x86_64 GNU/Linux I: ls -l /bin total 5116 - -rwxr-xr-x 1 root root 1168776 Apr 17 2019 bash - -rwxr-xr-x 3 root root 38984 Jul 10 2019 bunzip2 - -rwxr-xr-x 3 root root 38984 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 38984 Jul 10 2019 bzip2 - -rwxr-xr-x 1 root root 14328 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 43744 Feb 28 2019 cat - -rwxr-xr-x 1 root root 64320 Feb 28 2019 chgrp - -rwxr-xr-x 1 root root 64288 Feb 28 2019 chmod - -rwxr-xr-x 1 root root 72512 Feb 28 2019 chown - -rwxr-xr-x 1 root root 146880 Feb 28 2019 cp - -rwxr-xr-x 1 root root 121464 Jan 17 2019 dash - -rwxr-xr-x 1 root root 109408 Feb 28 2019 date - -rwxr-xr-x 1 root root 76712 Feb 28 2019 dd - -rwxr-xr-x 1 root root 93744 Feb 28 2019 df - -rwxr-xr-x 1 root root 138856 Feb 28 2019 dir - -rwxr-xr-x 1 root root 84288 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 39520 Feb 28 2019 echo - -rwxr-xr-x 1 root root 28 Jan 7 2019 egrep - -rwxr-xr-x 1 root root 35424 Feb 28 2019 false - -rwxr-xr-x 1 root root 28 Jan 7 2019 fgrep - -rwxr-xr-x 1 root root 68880 Jan 9 2019 findmnt - -rwsr-xr-x 1 root root 34896 Apr 22 2020 fusermount - -rwxr-xr-x 1 root root 198976 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 98048 Jan 5 2019 gzip - -rwxr-xr-x 1 root root 26696 Sep 26 2018 hostname - -rwxr-xr-x 1 root root 68552 Feb 28 2019 ln - -rwxr-xr-x 1 root root 56760 Jul 26 2018 login - -rwxr-xr-x 1 root root 138856 Feb 28 2019 ls - -rwxr-xr-x 1 root root 108624 Jan 9 2019 lsblk - -rwxr-xr-x 1 root root 89088 Feb 28 2019 mkdir - -rwxr-xr-x 1 root root 68544 Feb 28 2019 mknod - -rwxr-xr-x 1 root root 43808 Feb 28 2019 mktemp - -rwxr-xr-x 1 root root 43008 Jan 9 2019 more - -rwsr-xr-x 1 root root 51280 Jan 9 2019 mount - -rwxr-xr-x 1 root root 14408 Jan 9 2019 mountpoint - -rwxr-xr-x 1 root root 138728 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 39616 Feb 28 2019 pwd - lrwxrwxrwx 1 root root 4 Apr 17 2019 rbash -> bash - -rwxr-xr-x 1 root root 47776 Feb 28 2019 readlink - -rwxr-xr-x 1 root root 68416 Feb 28 2019 rm - -rwxr-xr-x 1 root root 47776 Feb 28 2019 rmdir - -rwxr-xr-x 1 root root 23312 Jan 21 2019 run-parts - -rwxr-xr-x 1 root root 122224 Dec 22 2018 sed - lrwxrwxrwx 1 root root 4 Dec 10 16:20 sh -> dash - -rwxr-xr-x 1 root root 39552 Feb 28 2019 sleep - -rwxr-xr-x 1 root root 80672 Feb 28 2019 stty - -rwsr-xr-x 1 root root 63568 Jan 9 2019 su - -rwxr-xr-x 1 root root 35488 Feb 28 2019 sync - -rwxr-xr-x 1 root root 445560 Apr 23 2019 tar - -rwxr-xr-x 1 root root 14440 Jan 21 2019 tempfile - -rwxr-xr-x 1 root root 97152 Feb 28 2019 touch - -rwxr-xr-x 1 root root 35424 Feb 28 2019 true - -rwxr-xr-x 1 root root 14328 Apr 22 2020 ulockmgr_server - -rwsr-xr-x 1 root root 34888 Jan 9 2019 umount - -rwxr-xr-x 1 root root 39584 Feb 28 2019 uname - -rwxr-xr-x 2 root root 2345 Jan 5 2019 uncompress - -rwxr-xr-x 1 root root 138856 Feb 28 2019 vdir - -rwxr-xr-x 1 root root 34896 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/3427280/tmp/hooks/D02_print_environment finished + -rwxr-xr-x 1 root root 1168776 Apr 18 2019 bash + -rwxr-xr-x 3 root root 38984 Jul 11 2019 bunzip2 + -rwxr-xr-x 3 root root 38984 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 38984 Jul 11 2019 bzip2 + -rwxr-xr-x 1 root root 14328 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 43744 Mar 1 2019 cat + -rwxr-xr-x 1 root root 64320 Mar 1 2019 chgrp + -rwxr-xr-x 1 root root 64288 Mar 1 2019 chmod + -rwxr-xr-x 1 root root 72512 Mar 1 2019 chown + -rwxr-xr-x 1 root root 146880 Mar 1 2019 cp + -rwxr-xr-x 1 root root 121464 Jan 18 2019 dash + -rwxr-xr-x 1 root root 109408 Mar 1 2019 date + -rwxr-xr-x 1 root root 76712 Mar 1 2019 dd + -rwxr-xr-x 1 root root 93744 Mar 1 2019 df + -rwxr-xr-x 1 root root 138856 Mar 1 2019 dir + -rwxr-xr-x 1 root root 84288 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 39520 Mar 1 2019 echo + -rwxr-xr-x 1 root root 28 Jan 8 2019 egrep + -rwxr-xr-x 1 root root 35424 Mar 1 2019 false + -rwxr-xr-x 1 root root 28 Jan 8 2019 fgrep + -rwxr-xr-x 1 root root 68880 Jan 10 2019 findmnt + -rwsr-xr-x 1 root root 34896 Apr 23 2020 fusermount + -rwxr-xr-x 1 root root 198976 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 98048 Jan 6 2019 gzip + -rwxr-xr-x 1 root root 26696 Sep 27 2018 hostname + -rwxr-xr-x 1 root root 68552 Mar 1 2019 ln + -rwxr-xr-x 1 root root 56760 Jul 27 2018 login + -rwxr-xr-x 1 root root 138856 Mar 1 2019 ls + -rwxr-xr-x 1 root root 108624 Jan 10 2019 lsblk + -rwxr-xr-x 1 root root 89088 Mar 1 2019 mkdir + -rwxr-xr-x 1 root root 68544 Mar 1 2019 mknod + -rwxr-xr-x 1 root root 43808 Mar 1 2019 mktemp + -rwxr-xr-x 1 root root 43008 Jan 10 2019 more + -rwsr-xr-x 1 root root 51280 Jan 10 2019 mount + -rwxr-xr-x 1 root root 14408 Jan 10 2019 mountpoint + -rwxr-xr-x 1 root root 138728 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 39616 Mar 1 2019 pwd + lrwxrwxrwx 1 root root 4 Apr 18 2019 rbash -> bash + -rwxr-xr-x 1 root root 47776 Mar 1 2019 readlink + -rwxr-xr-x 1 root root 68416 Mar 1 2019 rm + -rwxr-xr-x 1 root root 47776 Mar 1 2019 rmdir + -rwxr-xr-x 1 root root 23312 Jan 22 2019 run-parts + -rwxr-xr-x 1 root root 122224 Dec 23 2018 sed + lrwxrwxrwx 1 root root 4 Dec 9 12:03 sh -> bash + lrwxrwxrwx 1 root root 4 Nov 8 11:58 sh.distrib -> dash + -rwxr-xr-x 1 root root 39552 Mar 1 2019 sleep + -rwxr-xr-x 1 root root 80672 Mar 1 2019 stty + -rwsr-xr-x 1 root root 63568 Jan 10 2019 su + -rwxr-xr-x 1 root root 35488 Mar 1 2019 sync + -rwxr-xr-x 1 root root 445560 Apr 24 2019 tar + -rwxr-xr-x 1 root root 14440 Jan 22 2019 tempfile + -rwxr-xr-x 1 root root 97152 Mar 1 2019 touch + -rwxr-xr-x 1 root root 35424 Mar 1 2019 true + -rwxr-xr-x 1 root root 14328 Apr 23 2020 ulockmgr_server + -rwsr-xr-x 1 root root 34888 Jan 10 2019 umount + -rwxr-xr-x 1 root root 39584 Mar 1 2019 uname + -rwxr-xr-x 2 root root 2345 Jan 6 2019 uncompress + -rwxr-xr-x 1 root root 138856 Mar 1 2019 vdir + -rwxr-xr-x 1 root root 34896 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/2468478/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy @@ -332,7 +366,7 @@ Get: 113 http://deb.debian.org/debian buster/main amd64 libyaml-0-2 amd64 0.2.1-1 [47.2 kB] Get: 114 http://deb.debian.org/debian buster/main amd64 libruby2.5 amd64 2.5.5-3+deb10u3 [3438 kB] Get: 115 http://deb.debian.org/debian buster/main amd64 mpi-default-bin amd64 1.13 [4672 B] -Fetched 58.0 MB in 1s (77.9 MB/s) +Fetched 58.0 MB in 2s (30.9 MB/s) debconf: delaying package configuration, since apt-utils is not installed Selecting previously unselected package libbsd0:amd64. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 19195 files and directories currently installed.) @@ -831,7 +865,8 @@ 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/molds-0.3.1/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-genchanges -S > ../molds_0.3.1-1_source.changes +hostname: Name or service not known +I: Running cd /build/molds-0.3.1/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-genchanges -S > ../molds_0.3.1-1_source.changes dpkg-buildpackage: info: source package molds dpkg-buildpackage: info: source version 0.3.1-1 dpkg-buildpackage: info: source distribution unstable @@ -2114,11 +2149,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < FNC1_principal.in > temp.dat -------------------------------------------------------------------------- -[[8333,1],0]: A high-performance Open MPI point-to-point messaging module +[[11002,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2141,11 +2176,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < FNC1_rot120.in > temp.dat -------------------------------------------------------------------------- -[[8362,1],0]: A high-performance Open MPI point-to-point messaging module +[[8936,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2168,11 +2203,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < FNC1_translate.in > temp.dat -------------------------------------------------------------------------- -[[8387,1],0]: A high-performance Open MPI point-to-point messaging module +[[15578,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2195,11 +2230,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < ch4_cndo2.in > temp.dat -------------------------------------------------------------------------- -[[8408,1],0]: A high-performance Open MPI point-to-point messaging module +[[14830,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2216,11 +2251,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < ch4_cndo2.in > temp.dat -------------------------------------------------------------------------- -[[8447,1],0]: A high-performance Open MPI point-to-point messaging module +[[15022,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2237,11 +2272,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds ch4_cndo2.in > temp.dat -------------------------------------------------------------------------- -[[8225,1],0]: A high-performance Open MPI point-to-point messaging module +[[14131,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2249,8 +2284,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[ionos15-amd64:3508643] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[ionos15-amd64:3508643] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:2669130] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:2669130] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff ch4_cndo2.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -2262,11 +2297,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_cndo2.in > temp.dat -------------------------------------------------------------------------- -[[8280,1],0]: A high-performance Open MPI point-to-point messaging module +[[12675,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2283,11 +2318,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_cndo2.in > temp.dat -------------------------------------------------------------------------- -[[9090,1],0]: A high-performance Open MPI point-to-point messaging module +[[13198,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2304,11 +2339,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_cndo2.in > temp.dat -------------------------------------------------------------------------- -[[9121,1],1]: A high-performance Open MPI point-to-point messaging module +[[19499,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2316,8 +2351,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[ionos15-amd64:3508771] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[ionos15-amd64:3508771] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:2670930] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:2670930] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_cndo2.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -2329,11 +2364,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < h2s_cndo2.in > temp.dat -------------------------------------------------------------------------- -[[9176,1],0]: A high-performance Open MPI point-to-point messaging module +[[20438,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2350,11 +2385,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < h2s_cndo2.in > temp.dat -------------------------------------------------------------------------- -[[8962,1],0]: A high-performance Open MPI point-to-point messaging module +[[20100,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2371,11 +2406,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds h2s_cndo2.in > temp.dat -------------------------------------------------------------------------- -[[8996,1],0]: A high-performance Open MPI point-to-point messaging module +[[18659,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2383,8 +2418,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[ionos15-amd64:3508902] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[ionos15-amd64:3508902] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:2672026] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:2672026] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff h2s_cndo2.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -2400,11 +2435,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < ch4_indo.in > temp.dat -------------------------------------------------------------------------- -[[9048,1],0]: A high-performance Open MPI point-to-point messaging module +[[18955,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2421,11 +2456,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < ch4_indo.in > temp.dat -------------------------------------------------------------------------- -[[8834,1],0]: A high-performance Open MPI point-to-point messaging module +[[17851,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2442,11 +2477,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds ch4_indo.in > temp.dat -------------------------------------------------------------------------- -[[8868,1],0]: A high-performance Open MPI point-to-point messaging module +[[17654,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2454,8 +2489,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[ionos15-amd64:3509030] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[ionos15-amd64:3509030] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:2673039] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:2673039] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff ch4_indo.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -2467,11 +2502,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_indo.in > temp.dat -------------------------------------------------------------------------- -[[8927,1],0]: A high-performance Open MPI point-to-point messaging module +[[18389,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2488,11 +2523,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_indo.in > temp.dat -------------------------------------------------------------------------- -[[8705,1],0]: A high-performance Open MPI point-to-point messaging module +[[17975,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2509,11 +2544,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_indo.in > temp.dat -------------------------------------------------------------------------- -[[8741,1],0]: A high-performance Open MPI point-to-point messaging module +[[16695,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2521,8 +2556,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[ionos15-amd64:3509159] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[ionos15-amd64:3509159] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:2673742] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:2673742] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_indo.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -2539,11 +2574,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < ch4_zindos_directCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[8796,1],0]: A high-performance Open MPI point-to-point messaging module +[[16621,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2560,11 +2595,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < ch4_zindos_directCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[9607,1],0]: A high-performance Open MPI point-to-point messaging module +[[17359,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2581,11 +2616,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds ch4_zindos_directCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[9646,1],0]: A high-performance Open MPI point-to-point messaging module +[[17069,1],1]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2593,8 +2628,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[ionos15-amd64:3509292] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[ionos15-amd64:3509292] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:2674644] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:2674644] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff ch4_zindos_directCIS_singlet.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -2606,11 +2641,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_zindos_directCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[9696,1],0]: A high-performance Open MPI point-to-point messaging module +[[23785,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2627,11 +2662,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_zindos_directCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[9483,1],0]: A high-performance Open MPI point-to-point messaging module +[[24221,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2648,11 +2683,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_zindos_directCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[9530,1],0]: A high-performance Open MPI point-to-point messaging module +[[23405,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2660,8 +2695,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[ionos15-amd64:3509432] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[ionos15-amd64:3509432] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:2676244] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:2676244] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_zindos_directCIS_singlet.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -2673,11 +2708,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < h2s_zindos_directCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[10151,1],0]: A high-performance Open MPI point-to-point messaging module +[[23180,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2694,11 +2729,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < h2s_zindos_directCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[10194,1],0]: A high-performance Open MPI point-to-point messaging module +[[22311,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2715,11 +2750,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds h2s_zindos_directCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[10229,1],1]: A high-performance Open MPI point-to-point messaging module +[[20835,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2727,8 +2762,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[ionos15-amd64:3509879] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[ionos15-amd64:3509879] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:2677786] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:2677786] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff h2s_zindos_directCIS_singlet.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -2740,11 +2775,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < h2o_zindos_directCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[10034,1],0]: A high-performance Open MPI point-to-point messaging module +[[21313,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2761,11 +2796,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < h2o_zindos_directCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[10068,1],0]: A high-performance Open MPI point-to-point messaging module +[[28012,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2782,11 +2817,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds h2o_zindos_directCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[10107,1],0]: A high-performance Open MPI point-to-point messaging module +[[28520,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2794,8 +2829,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[ionos15-amd64:3510009] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[ionos15-amd64:3510009] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:2679313] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:2679313] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff h2o_zindos_directCIS_singlet.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -2807,11 +2842,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c4h4s_zindos_directCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[9906,1],0]: A high-performance Open MPI point-to-point messaging module +[[26993,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2828,11 +2863,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c4h4s_zindos_directCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[9965,1],0]: A high-performance Open MPI point-to-point messaging module +[[27422,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2849,11 +2884,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c4h4s_zindos_directCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[14518,1],0]: A high-performance Open MPI point-to-point messaging module +[[25705,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2861,8 +2896,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[ionos15-amd64:3510580] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[ionos15-amd64:3510580] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:2681104] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:2681104] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c4h4s_zindos_directCIS_singlet.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -2879,11 +2914,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < ch4_zindos_davidsonCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[15048,1],0]: A high-performance Open MPI point-to-point messaging module +[[26504,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2900,11 +2935,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < ch4_zindos_davidsonCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[15713,1],0]: A high-performance Open MPI point-to-point messaging module +[[24997,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2921,11 +2956,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds ch4_zindos_davidsonCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[16135,1],1]: A high-performance Open MPI point-to-point messaging module +[[25539,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2933,8 +2968,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[ionos15-amd64:3511941] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[ionos15-amd64:3511941] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:2682554] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:2682554] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff ch4_zindos_davidsonCIS_singlet.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -2946,11 +2981,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_zindos_davidsonCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[12771,1],0]: A high-performance Open MPI point-to-point messaging module +[[32075,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2967,11 +3002,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_zindos_davidsonCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[13202,1],0]: A high-performance Open MPI point-to-point messaging module +[[31880,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -2988,11 +3023,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_zindos_davidsonCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[12884,1],1]: A high-performance Open MPI point-to-point messaging module +[[32398,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3000,8 +3035,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[ionos15-amd64:3513302] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[ionos15-amd64:3513302] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:2683895] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:2683895] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_zindos_davidsonCIS_singlet.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -3013,11 +3048,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < h2s_zindos_davidsonCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[14210,1],0]: A high-performance Open MPI point-to-point messaging module +[[30888,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3034,11 +3069,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < h2s_zindos_davidsonCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[13899,1],0]: A high-performance Open MPI point-to-point messaging module +[[31414,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3055,11 +3090,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds h2s_zindos_davidsonCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[2246,1],1]: A high-performance Open MPI point-to-point messaging module +[[29903,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3067,8 +3102,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[ionos15-amd64:3514692] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[ionos15-amd64:3514692] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:2685366] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:2685366] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff h2s_zindos_davidsonCIS_singlet.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -3084,11 +3119,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_zindos_force.in > temp.dat -------------------------------------------------------------------------- -[[2916,1],0]: A high-performance Open MPI point-to-point messaging module +[[29003,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3105,11 +3140,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_zindos_force.in > temp.dat -------------------------------------------------------------------------- -[[3351,1],0]: A high-performance Open MPI point-to-point messaging module +[[29665,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3126,11 +3161,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_zindos_force.in > temp.dat -------------------------------------------------------------------------- -[[4035,1],1]: A high-performance Open MPI point-to-point messaging module +[[35923,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3138,8 +3173,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[ionos15-amd64:3515969] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[ionos15-amd64:3515969] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:2687275] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:2687275] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_zindos_force.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -3156,11 +3191,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_zindos_directCIS_singlet_force.in > temp.dat -------------------------------------------------------------------------- -[[466,1],0]: A high-performance Open MPI point-to-point messaging module +[[36800,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3179,11 +3214,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_zindos_directCIS_singlet_force.in > temp.dat -------------------------------------------------------------------------- -[[966,1],0]: A high-performance Open MPI point-to-point messaging module +[[35160,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3200,11 +3235,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_zindos_directCIS_singlet_force.in > temp.dat -------------------------------------------------------------------------- -[[1509,1],1]: A high-performance Open MPI point-to-point messaging module +[[35045,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3212,8 +3247,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[ionos15-amd64:3517543] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[ionos15-amd64:3517543] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:2688413] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:2688413] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_zindos_directCIS_singlet_force.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Total dipole moment: 32 1.920828e-01 -3.846657e-02 -6.746100e-03 1.960128e-01 4.882259e-01 -9.777228e-02 -1.714688e-02 4.982148e-01 > Total dipole moment: 32 1.920828e-01 -3.846657e-02 -6.746100e-03 1.960128e-01 4.882260e-01 -9.777228e-02 -1.714688e-02 4.982148e-01 @@ -3231,11 +3266,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < ch4_mndo.in > temp.dat -------------------------------------------------------------------------- -[[1676,1],0]: A high-performance Open MPI point-to-point messaging module +[[35549,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3252,11 +3287,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < ch4_mndo.in > temp.dat -------------------------------------------------------------------------- -[[6447,1],0]: A high-performance Open MPI point-to-point messaging module +[[34081,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3273,11 +3308,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds ch4_mndo.in > temp.dat -------------------------------------------------------------------------- -[[6381,1],0]: A high-performance Open MPI point-to-point messaging module +[[33880,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3285,8 +3320,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[ionos15-amd64:3518831] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[ionos15-amd64:3518831] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:2689312] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:2689312] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff ch4_mndo.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -3298,11 +3333,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_mndo.in > temp.dat -------------------------------------------------------------------------- -[[6793,1],0]: A high-performance Open MPI point-to-point messaging module +[[33926,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3319,11 +3354,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_mndo.in > temp.dat -------------------------------------------------------------------------- -[[7464,1],0]: A high-performance Open MPI point-to-point messaging module +[[34773,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3340,11 +3375,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_mndo.in > temp.dat -------------------------------------------------------------------------- -[[8129,1],0]: A high-performance Open MPI point-to-point messaging module +[[34315,1],1]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3352,8 +3387,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[ionos15-amd64:3520067] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[ionos15-amd64:3520067] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:2689907] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:2689907] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_mndo.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -3370,11 +3405,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < ch4_mndo_directCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[4499,1],0]: A high-performance Open MPI point-to-point messaging module +[[33042,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3391,11 +3426,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < ch4_mndo_directCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[4155,1],0]: A high-performance Open MPI point-to-point messaging module +[[32850,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3412,11 +3447,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds ch4_mndo_directCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[4824,1],1]: A high-performance Open MPI point-to-point messaging module +[[33585,1],1]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3424,8 +3459,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[ionos15-amd64:3521370] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[ionos15-amd64:3521370] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:2690633] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:2690633] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff ch4_mndo_directCIS_singlet.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -3437,11 +3472,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_mndo_directCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[5284,1],0]: A high-performance Open MPI point-to-point messaging module +[[33323,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3458,11 +3493,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_mndo_directCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[5963,1],0]: A high-performance Open MPI point-to-point messaging module +[[40201,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3479,11 +3514,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_mndo_directCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[27122,1],0]: A high-performance Open MPI point-to-point messaging module +[[40184,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3491,8 +3526,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[ionos15-amd64:3522672] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[ionos15-amd64:3522672] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:2691456] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:2691456] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_mndo_directCIS_singlet.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -3509,11 +3544,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < ch4_mndo_davidsonCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[27605,1],0]: A high-performance Open MPI point-to-point messaging module +[[40564,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3530,11 +3565,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < ch4_mndo_davidsonCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[27251,1],0]: A high-performance Open MPI point-to-point messaging module +[[40578,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3551,11 +3586,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds ch4_mndo_davidsonCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[27660,1],0]: A high-performance Open MPI point-to-point messaging module +[[39322,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3563,8 +3598,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[ionos15-amd64:3523982] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[ionos15-amd64:3523982] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:2692322] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:2692322] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff ch4_mndo_davidsonCIS_singlet.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -3576,11 +3611,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_mndo_davidsonCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[28376,1],0]: A high-performance Open MPI point-to-point messaging module +[[39735,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3597,11 +3632,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_mndo_davidsonCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[24721,1],0]: A high-performance Open MPI point-to-point messaging module +[[39511,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3618,11 +3653,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_mndo_davidsonCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[25432,1],0]: A high-performance Open MPI point-to-point messaging module +[[38192,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3630,8 +3665,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[ionos15-amd64:3525338] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[ionos15-amd64:3525338] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:2693192] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:2693192] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_mndo_davidsonCIS_singlet.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -3647,11 +3682,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_mndo_force.in > temp.dat -------------------------------------------------------------------------- -[[25811,1],0]: A high-performance Open MPI point-to-point messaging module +[[37965,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3676,11 +3711,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_mndo_force.in > temp.dat -------------------------------------------------------------------------- -[[26284,1],0]: A high-performance Open MPI point-to-point messaging module +[[38747,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3705,11 +3740,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_mndo_force.in > temp.dat -------------------------------------------------------------------------- -[[30859,1],0]: A high-performance Open MPI point-to-point messaging module +[[38486,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3717,8 +3752,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[ionos15-amd64:3526921] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[ionos15-amd64:3526921] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:2693934] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:2693934] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_mndo_force.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Error: 3.074803e-10 8.367031e-09 > Error: 3.074945e-10 8.367417e-09 @@ -3743,11 +3778,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_mndo_directCIS_singlet_force.in > temp.dat -------------------------------------------------------------------------- -[[31444,1],0]: A high-performance Open MPI point-to-point messaging module +[[37174,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3772,11 +3807,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_mndo_directCIS_singlet_force.in > temp.dat -------------------------------------------------------------------------- -[[32661,1],0]: A high-performance Open MPI point-to-point messaging module +[[36943,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3799,11 +3834,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_mndo_directCIS_singlet_force.in > temp.dat -------------------------------------------------------------------------- -[[29126,1],0]: A high-performance Open MPI point-to-point messaging module +[[37830,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3811,8 +3846,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[ionos15-amd64:3528772] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[ionos15-amd64:3528772] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:2694846] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:2694846] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_mndo_directCIS_singlet_force.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Error: 2.675361e-07 7.280087e-06 > Error: 2.675362e-07 7.280088e-06 @@ -3837,11 +3872,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_mndo_davidsonCIS_singlet_force.in > temp.dat -------------------------------------------------------------------------- -[[28761,1],0]: A high-performance Open MPI point-to-point messaging module +[[37504,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3864,11 +3899,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_mndo_davidsonCIS_singlet_force.in > temp.dat -------------------------------------------------------------------------- -[[29655,1],0]: A high-performance Open MPI point-to-point messaging module +[[44210,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3891,11 +3926,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_mndo_davidsonCIS_singlet_force.in > temp.dat -------------------------------------------------------------------------- -[[29562,1],0]: A high-performance Open MPI point-to-point messaging module +[[44662,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3903,8 +3938,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[ionos15-amd64:3529464] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[ionos15-amd64:3529464] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:2695950] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:2695950] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_mndo_davidsonCIS_singlet_force.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Error: 2.668212e-07 7.260631e-06 > Error: 2.668212e-07 7.260633e-06 @@ -3926,11 +3961,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < ch4_am1.in > temp.dat -------------------------------------------------------------------------- -[[18787,1],0]: A high-performance Open MPI point-to-point messaging module +[[43063,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3947,11 +3982,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < ch4_am1.in > temp.dat -------------------------------------------------------------------------- -[[19739,1],0]: A high-performance Open MPI point-to-point messaging module +[[44024,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3968,11 +4003,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds ch4_am1.in > temp.dat -------------------------------------------------------------------------- -[[20041,1],1]: A high-performance Open MPI point-to-point messaging module +[[43700,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -3980,8 +4015,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[ionos15-amd64:3532747] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[ionos15-amd64:3532747] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:2697164] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:2697164] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff ch4_am1.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -3993,11 +4028,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_am1.in > temp.dat -------------------------------------------------------------------------- -[[16777,1],0]: A high-performance Open MPI point-to-point messaging module +[[42094,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -4014,11 +4049,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_am1.in > temp.dat -------------------------------------------------------------------------- -[[16856,1],0]: A high-performance Open MPI point-to-point messaging module +[[42124,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -4035,11 +4070,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_am1.in > temp.dat -------------------------------------------------------------------------- -[[16642,1],0]: A high-performance Open MPI point-to-point messaging module +[[42500,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -4047,8 +4082,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[ionos15-amd64:3532928] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[ionos15-amd64:3532928] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:2698108] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:2698108] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_am1.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -4065,11 +4100,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < ch4_am1_directCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[16696,1],0]: A high-performance Open MPI point-to-point messaging module +[[41398,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -4086,11 +4121,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < ch4_am1_directCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[16553,1],0]: A high-performance Open MPI point-to-point messaging module +[[40962,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -4107,11 +4142,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds ch4_am1_directCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[16637,1],0]: A high-performance Open MPI point-to-point messaging module +[[41876,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -4119,8 +4154,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[ionos15-amd64:3533183] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[ionos15-amd64:3533183] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:2698988] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:2698988] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff ch4_am1_directCIS_singlet.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -4133,11 +4168,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_am1_directCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[16443,1],0]: A high-performance Open MPI point-to-point messaging module +[[48503,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -4154,11 +4189,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_am1_directCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[16477,1],0]: A high-performance Open MPI point-to-point messaging module +[[48527,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -4175,11 +4210,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_am1_directCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[17284,1],1]: A high-performance Open MPI point-to-point messaging module +[[48901,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -4187,8 +4222,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[ionos15-amd64:3533318] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[ionos15-amd64:3533318] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:2699901] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:2699901] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_am1_directCIS_singlet.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -4205,11 +4240,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < ch4_am1_davidsonCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[17200,1],0]: A high-performance Open MPI point-to-point messaging module +[[48786,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -4226,11 +4261,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < ch4_am1_davidsonCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[16907,1],0]: A high-performance Open MPI point-to-point messaging module +[[47539,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -4247,11 +4282,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds ch4_am1_davidsonCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[16980,1],0]: A high-performance Open MPI point-to-point messaging module +[[47969,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -4259,8 +4294,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[ionos15-amd64:3533782] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[ionos15-amd64:3533782] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:2700825] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:2700825] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff ch4_am1_davidsonCIS_singlet.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -4272,11 +4307,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_am1_davidsonCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[17727,1],0]: A high-performance Open MPI point-to-point messaging module +[[47864,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -4293,11 +4328,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_am1_davidsonCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[22919,1],0]: A high-performance Open MPI point-to-point messaging module +[[46581,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -4314,11 +4349,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_am1_davidsonCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[22658,1],0]: A high-performance Open MPI point-to-point messaging module +[[46293,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -4326,8 +4361,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[ionos15-amd64:3535104] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[ionos15-amd64:3535104] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:2701741] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:2701741] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_am1_davidsonCIS_singlet.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -4343,11 +4378,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_am1_force.in > temp.dat -------------------------------------------------------------------------- -[[22755,1],0]: A high-performance Open MPI point-to-point messaging module +[[46652,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -4374,11 +4409,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_am1_force.in > temp.dat -------------------------------------------------------------------------- -[[22599,1],0]: A high-performance Open MPI point-to-point messaging module +[[45477,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -4405,11 +4440,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_am1_force.in > temp.dat -------------------------------------------------------------------------- -[[23475,1],0]: A high-performance Open MPI point-to-point messaging module +[[45874,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -4417,8 +4452,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[ionos15-amd64:3535409] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[ionos15-amd64:3535409] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:2702922] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:2702922] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_am1_force.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Error: 3.502461e-10 9.530756e-09 > Error: 3.503384e-10 9.533270e-09 @@ -4445,11 +4480,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_am1_directCIS_singlet_force.in > temp.dat -------------------------------------------------------------------------- -[[23417,1],0]: A high-performance Open MPI point-to-point messaging module +[[45574,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -4496,11 +4531,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_am1_directCIS_singlet_force.in > temp.dat -------------------------------------------------------------------------- -[[23952,1],0]: A high-performance Open MPI point-to-point messaging module +[[52462,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -4547,11 +4582,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_am1_directCIS_singlet_force.in > temp.dat -------------------------------------------------------------------------- -[[23898,1],1]: A high-performance Open MPI point-to-point messaging module +[[52772,1],1]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -4559,8 +4594,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[ionos15-amd64:3536088] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[ionos15-amd64:3536088] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:2704220] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:2704220] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_am1_directCIS_singlet_force.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Error: 2.983714e-07 8.119164e-06 > Error: 2.983715e-07 8.119167e-06 @@ -4607,11 +4642,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_am1_davidsonCIS_singlet_force.in > temp.dat -------------------------------------------------------------------------- -[[24379,1],0]: A high-performance Open MPI point-to-point messaging module +[[51530,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -4638,11 +4673,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_am1_davidsonCIS_singlet_force.in > temp.dat -------------------------------------------------------------------------- -[[20625,1],0]: A high-performance Open MPI point-to-point messaging module +[[51445,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -4669,11 +4704,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_am1_davidsonCIS_singlet_force.in > temp.dat -------------------------------------------------------------------------- -[[20588,1],0]: A high-performance Open MPI point-to-point messaging module +[[52148,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -4681,8 +4716,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[ionos15-amd64:3537390] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[ionos15-amd64:3537390] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:2705100] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:2705100] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_am1_davidsonCIS_singlet_force.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Error: 2.983706e-07 8.119141e-06 > Error: 2.983706e-07 8.119143e-06 @@ -4708,11 +4743,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < ch4_pm3.in > temp.dat -------------------------------------------------------------------------- -[[21837,1],0]: A high-performance Open MPI point-to-point messaging module +[[50244,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -4729,11 +4764,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < ch4_pm3.in > temp.dat -------------------------------------------------------------------------- -[[21631,1],0]: A high-performance Open MPI point-to-point messaging module +[[50352,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -4750,11 +4785,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds ch4_pm3.in > temp.dat -------------------------------------------------------------------------- -[[22158,1],0]: A high-performance Open MPI point-to-point messaging module +[[51016,1],1]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -4762,8 +4797,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[ionos15-amd64:3538700] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[ionos15-amd64:3538700] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:2705968] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:2705968] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff ch4_pm3.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -4775,11 +4810,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_pm3.in > temp.dat -------------------------------------------------------------------------- -[[43433,1],0]: A high-performance Open MPI point-to-point messaging module +[[51146,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -4796,11 +4831,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_pm3.in > temp.dat -------------------------------------------------------------------------- -[[43180,1],0]: A high-performance Open MPI point-to-point messaging module +[[50794,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -4817,11 +4852,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_pm3.in > temp.dat -------------------------------------------------------------------------- -[[43979,1],0]: A high-performance Open MPI point-to-point messaging module +[[49529,1],1]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -4829,8 +4864,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[ionos15-amd64:3539530] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[ionos15-amd64:3539530] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:2706433] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:2706433] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_pm3.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -4847,11 +4882,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < ch4_pm3_directCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[43735,1],0]: A high-performance Open MPI point-to-point messaging module +[[49628,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -4868,11 +4903,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < ch4_pm3_directCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[43612,1],0]: A high-performance Open MPI point-to-point messaging module +[[49539,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -4889,11 +4924,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds ch4_pm3_directCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[44342,1],0]: A high-performance Open MPI point-to-point messaging module +[[49381,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -4901,8 +4936,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[ionos15-amd64:3540151] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[ionos15-amd64:3540151] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:2706845] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:2706845] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff ch4_pm3_directCIS_singlet.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -4914,11 +4949,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_pm3_directCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[41427,1],0]: A high-performance Open MPI point-to-point messaging module +[[50007,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -4935,11 +4970,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_pm3_directCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[41661,1],0]: A high-performance Open MPI point-to-point messaging module +[[49932,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -4956,11 +4991,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_pm3_directCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[42389,1],1]: A high-performance Open MPI point-to-point messaging module +[[50048,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -4968,8 +5003,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[ionos15-amd64:3542036] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[ionos15-amd64:3542036] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:2707192] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:2707192] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_pm3_directCIS_singlet.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -4986,11 +5021,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < ch4_pm3_davidsonCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[42455,1],0]: A high-performance Open MPI point-to-point messaging module +[[49665,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -5007,11 +5042,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < ch4_pm3_davidsonCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[42494,1],0]: A high-performance Open MPI point-to-point messaging module +[[49803,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -5028,11 +5063,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds ch4_pm3_davidsonCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[42157,1],0]: A high-performance Open MPI point-to-point messaging module +[[56665,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -5040,8 +5075,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[ionos15-amd64:3542316] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[ionos15-amd64:3542316] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:2707489] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:2707489] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff ch4_pm3_davidsonCIS_singlet.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -5054,11 +5089,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_pm3_davidsonCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[42008,1],0]: A high-performance Open MPI point-to-point messaging module +[[56576,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -5075,11 +5110,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_pm3_davidsonCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[42081,1],0]: A high-performance Open MPI point-to-point messaging module +[[56747,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -5096,11 +5131,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_pm3_davidsonCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[42896,1],0]: A high-performance Open MPI point-to-point messaging module +[[56423,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -5108,8 +5143,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[ionos15-amd64:3542545] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[ionos15-amd64:3542545] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:2707743] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:2707743] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_pm3_davidsonCIS_singlet.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -5125,11 +5160,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_pm3_force.in > temp.dat -------------------------------------------------------------------------- -[[42990,1],0]: A high-performance Open MPI point-to-point messaging module +[[56544,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -5156,11 +5191,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_pm3_force.in > temp.dat -------------------------------------------------------------------------- -[[42659,1],0]: A high-performance Open MPI point-to-point messaging module +[[56470,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -5187,11 +5222,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_pm3_force.in > temp.dat -------------------------------------------------------------------------- -[[42522,1],0]: A high-performance Open MPI point-to-point messaging module +[[57122,1],1]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -5199,8 +5234,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[ionos15-amd64:3542939] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[ionos15-amd64:3542939] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:2708058] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:2708058] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_pm3_force.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Error: 2.012719e-10 5.476931e-09 > Error: 2.011937e-10 5.474804e-09 @@ -5227,11 +5262,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_pm3_directCIS_singlet_force.in > temp.dat -------------------------------------------------------------------------- -[[47404,1],0]: A high-performance Open MPI point-to-point messaging module +[[56945,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -5252,11 +5287,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_pm3_directCIS_singlet_force.in > temp.dat -------------------------------------------------------------------------- -[[47627,1],0]: A high-performance Open MPI point-to-point messaging module +[[56838,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -5277,11 +5312,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_pm3_directCIS_singlet_force.in > temp.dat -------------------------------------------------------------------------- -[[48545,1],0]: A high-performance Open MPI point-to-point messaging module +[[56982,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -5289,8 +5324,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[ionos15-amd64:3544096] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[ionos15-amd64:3544096] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:2708462] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:2708462] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_pm3_directCIS_singlet_force.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Error: -1.769107e-07 -4.814023e-06 > Error: -1.769106e-07 -4.814022e-06 @@ -5311,11 +5346,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_pm3_davidsonCIS_singlet_force.in > temp.dat -------------------------------------------------------------------------- -[[48507,1],0]: A high-performance Open MPI point-to-point messaging module +[[55782,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -5340,11 +5375,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_pm3_davidsonCIS_singlet_force.in > temp.dat -------------------------------------------------------------------------- -[[48139,1],0]: A high-performance Open MPI point-to-point messaging module +[[55421,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -5371,11 +5406,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_pm3_davidsonCIS_singlet_force.in > temp.dat -------------------------------------------------------------------------- -[[49111,1],1]: A high-performance Open MPI point-to-point messaging module +[[55333,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -5383,8 +5418,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[ionos15-amd64:3544662] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[ionos15-amd64:3544662] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:2708829] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:2708829] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_pm3_davidsonCIS_singlet_force.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Error: -1.769128e-07 -4.814080e-06 > Error: -1.769128e-07 -4.814081e-06 @@ -5408,11 +5443,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_pm3pddg.in > temp.dat -------------------------------------------------------------------------- -[[45105,1],0]: A high-performance Open MPI point-to-point messaging module +[[55427,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -5429,11 +5464,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_pm3pddg.in > temp.dat -------------------------------------------------------------------------- -[[45162,1],0]: A high-performance Open MPI point-to-point messaging module +[[56154,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -5450,11 +5485,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_pm3pddg.in > temp.dat -------------------------------------------------------------------------- -[[46049,1],0]: A high-performance Open MPI point-to-point messaging module +[[56114,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -5462,8 +5497,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[ionos15-amd64:3545696] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[ionos15-amd64:3545696] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:2709066] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:2709066] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_pm3pddg.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -5480,11 +5515,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_pm3pddg_directCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[45783,1],0]: A high-performance Open MPI point-to-point messaging module +[[56302,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -5501,11 +5536,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_pm3pddg_directCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[46559,1],0]: A high-performance Open MPI point-to-point messaging module +[[56263,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -5522,11 +5557,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_pm3pddg_directCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[46411,1],0]: A high-performance Open MPI point-to-point messaging module +[[56207,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -5534,8 +5569,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[ionos15-amd64:3546314] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[ionos15-amd64:3546314] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:2709239] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:2709239] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_pm3pddg_directCIS_singlet.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -5552,11 +5587,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_pm3pddg_davidsonCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[46267,1],0]: A high-performance Open MPI point-to-point messaging module +[[55860,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -5573,11 +5608,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_pm3pddg_davidsonCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[46204,1],0]: A high-performance Open MPI point-to-point messaging module +[[56056,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -5594,11 +5629,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_pm3pddg_davidsonCIS_singlet.in > temp.dat -------------------------------------------------------------------------- -[[46951,1],0]: A high-performance Open MPI point-to-point messaging module +[[56018,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -5606,8 +5641,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[ionos15-amd64:3546854] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[ionos15-amd64:3546854] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:2709418] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:2709418] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_pm3pddg_davidsonCIS_singlet.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -5623,11 +5658,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_pm3pddg_force.in > temp.dat -------------------------------------------------------------------------- -[[35253,1],0]: A high-performance Open MPI point-to-point messaging module +[[55953,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -5654,11 +5689,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_pm3pddg_force.in > temp.dat -------------------------------------------------------------------------- -[[34992,1],0]: A high-performance Open MPI point-to-point messaging module +[[54585,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -5685,11 +5720,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_pm3pddg_force.in > temp.dat -------------------------------------------------------------------------- -[[35719,1],0]: A high-performance Open MPI point-to-point messaging module +[[54761,1],1]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -5697,8 +5732,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[ionos15-amd64:3547654] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[ionos15-amd64:3547654] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:2709649] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:2709649] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_pm3pddg_force.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Error: 1.803375e-10 4.907273e-09 > Error: 1.802665e-10 4.905339e-09 @@ -5725,11 +5760,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_pm3pddg_directCIS_singlet_force.in > temp.dat -------------------------------------------------------------------------- -[[35496,1],0]: A high-performance Open MPI point-to-point messaging module +[[54333,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -5754,11 +5789,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_pm3pddg_directCIS_singlet_force.in > temp.dat -------------------------------------------------------------------------- -[[35375,1],0]: A high-performance Open MPI point-to-point messaging module +[[54424,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -5781,11 +5816,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_pm3pddg_directCIS_singlet_force.in > temp.dat -------------------------------------------------------------------------- -[[36113,1],0]: A high-performance Open MPI point-to-point messaging module +[[55055,1],1]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -5793,8 +5828,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[ionos15-amd64:3548304] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[ionos15-amd64:3548304] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:2710135] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:2710135] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_pm3pddg_directCIS_singlet_force.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Error: -1.381869e-07 -3.760288e-06 > Error: -1.381871e-07 -3.760292e-06 @@ -5817,11 +5852,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_pm3pddg_davidsonCIS_singlet_force.in > temp.dat -------------------------------------------------------------------------- -[[36854,1],0]: A high-performance Open MPI point-to-point messaging module +[[54787,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -5846,11 +5881,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_pm3pddg_davidsonCIS_singlet_force.in > temp.dat -------------------------------------------------------------------------- -[[33181,1],0]: A high-performance Open MPI point-to-point messaging module +[[53578,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -5873,11 +5908,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_pm3pddg_davidsonCIS_singlet_force.in > temp.dat -------------------------------------------------------------------------- -[[34240,1],0]: A high-performance Open MPI point-to-point messaging module +[[53698,1],1]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -5885,8 +5920,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[ionos15-amd64:3550273] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[ionos15-amd64:3550273] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:2710714] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:2710714] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_pm3pddg_davidsonCIS_singlet_force.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Error: -1.381869e-07 -3.760287e-06 > Error: -1.381870e-07 -3.760289e-06 @@ -5911,11 +5946,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_pm3pddg_opt_steepest.in > temp.dat -------------------------------------------------------------------------- -[[38934,1],0]: A high-performance Open MPI point-to-point messaging module +[[53478,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -5936,11 +5971,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_pm3pddg_opt_steepest.in > temp.dat -------------------------------------------------------------------------- -[[37323,1],0]: A high-performance Open MPI point-to-point messaging module +[[61104,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -5949,10 +5984,10 @@ btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- command: diff c2h6_pm3pddg_opt_steepest.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] -< Core Dipole moment: -9.550199e-04 -1.913164e-02 3.905131e-04 1.915944e-02 -2.427419e-03 -4.862778e-02 9.925855e-04 4.869844e-02 -> Core Dipole moment: -9.550199e-04 -1.913164e-02 3.905131e-04 1.915944e-02 -2.427419e-03 -4.862778e-02 9.925854e-04 4.869844e-02 +< Energy difference: -1.431517e-06 [a.u.] +> Energy difference: -1.431516e-06 [a.u.] < Energy difference: -9.285132e-07 [a.u.] -> Energy difference: -9.285130e-07 [a.u.] +> Energy difference: -9.285131e-07 [a.u.] @@ -5961,11 +5996,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_pm3pddg_opt_steepest.in > temp.dat -------------------------------------------------------------------------- -[[38743,1],0]: A high-performance Open MPI point-to-point messaging module +[[59253,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -5973,9 +6008,11 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[ionos15-amd64:3555030] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[ionos15-amd64:3555030] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:2714125] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:2714125] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_pm3pddg_opt_steepest.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] +< Energy difference: -9.285132e-07 [a.u.] +> Energy difference: -9.285131e-07 [a.u.] @@ -5990,11 +6027,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_pm3pddg_opt_conjugate.in > temp.dat -------------------------------------------------------------------------- -[[57939,1],0]: A high-performance Open MPI point-to-point messaging module +[[64303,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6011,11 +6048,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_pm3pddg_opt_conjugate.in > temp.dat -------------------------------------------------------------------------- -[[63580,1],0]: A high-performance Open MPI point-to-point messaging module +[[62623,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6032,11 +6069,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_pm3pddg_opt_conjugate.in > temp.dat -------------------------------------------------------------------------- -[[64566,1],1]: A high-performance Open MPI point-to-point messaging module +[[61450,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6044,8 +6081,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[ionos15-amd64:3560887] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[ionos15-amd64:3560887] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:2719090] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:2719090] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_pm3pddg_opt_conjugate.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -6061,11 +6098,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_pm3pddg_opt_bfgs.in > temp.dat -------------------------------------------------------------------------- -[[62834,1],0]: A high-performance Open MPI point-to-point messaging module +[[2505,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6088,11 +6125,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_pm3pddg_opt_bfgs.in > temp.dat -------------------------------------------------------------------------- -[[63426,1],0]: A high-performance Open MPI point-to-point messaging module +[[2181,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6115,11 +6152,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_pm3pddg_opt_bfgs.in > temp.dat -------------------------------------------------------------------------- -[[63004,1],0]: A high-performance Open MPI point-to-point messaging module +[[2622,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6127,11 +6164,17 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[ionos15-amd64:3563421] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[ionos15-amd64:3563421] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:2721606] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:2721606] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_pm3pddg_opt_bfgs.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] > Initial trust radius: 0.300000 > Max size of the optimization step: 0.300000 +< actual/expected energy change = 1.426738 +> actual/expected energy change = 1.426739 +< actual energy change = -1.011309e-06 +> actual energy change = -1.011310e-06 +< Energy difference: -1.011309e-06 [a.u.] +> Energy difference: -1.011310e-06 [a.u.] < actual energy change = -6.340346e-07 > actual energy change = -6.340347e-07 < Energy difference: -6.340346e-07 [a.u.] @@ -6150,11 +6193,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_pm3pddg_opt_gediis.in > temp.dat -------------------------------------------------------------------------- -[[52025,1],0]: A high-performance Open MPI point-to-point messaging module +[[1230,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6175,11 +6218,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_pm3pddg_opt_gediis.in > temp.dat -------------------------------------------------------------------------- -[[52552,1],0]: A high-performance Open MPI point-to-point messaging module +[[1659,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6188,8 +6231,6 @@ btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- command: diff c2h6_pm3pddg_opt_gediis.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] -< actual/expected energy change = 1.400875 -> actual/expected energy change = 1.400874 @@ -6204,11 +6245,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_pm3_MC.in > temp.dat -------------------------------------------------------------------------- -[[53036,1],0]: A high-performance Open MPI point-to-point messaging module +[[312,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6225,11 +6266,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_pm3_MC.in > temp.dat -------------------------------------------------------------------------- -[[49255,1],0]: A high-performance Open MPI point-to-point messaging module +[[471,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6246,11 +6287,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_pm3_MC.in > temp.dat -------------------------------------------------------------------------- -[[49963,1],0]: A high-performance Open MPI point-to-point messaging module +[[76,1],1]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6258,8 +6299,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[ionos15-amd64:3566250] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[ionos15-amd64:3566250] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:2723124] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:2723124] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_pm3_MC.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -6276,11 +6317,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_pm3_directCIS_singlet_MC.in > temp.dat -------------------------------------------------------------------------- -[[50592,1],0]: A high-performance Open MPI point-to-point messaging module +[[140,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6297,11 +6338,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_pm3_directCIS_singlet_MC.in > temp.dat -------------------------------------------------------------------------- -[[50188,1],0]: A high-performance Open MPI point-to-point messaging module +[[770,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6318,11 +6359,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_pm3_directCIS_singlet_MC.in > temp.dat -------------------------------------------------------------------------- -[[51026,1],1]: A high-performance Open MPI point-to-point messaging module +[[918,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6330,8 +6371,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[ionos15-amd64:3567315] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[ionos15-amd64:3567315] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:2723566] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:2723566] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_pm3_directCIS_singlet_MC.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -6347,11 +6388,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_pm3pddg_rpmd.in > temp.dat -------------------------------------------------------------------------- -[[50801,1],0]: A high-performance Open MPI point-to-point messaging module +[[699,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6378,11 +6419,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_pm3pddg_rpmd.in > temp.dat -------------------------------------------------------------------------- -[[56752,1],0]: A high-performance Open MPI point-to-point messaging module +[[7937,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6409,11 +6450,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_pm3pddg_rpmd.in > temp.dat -------------------------------------------------------------------------- -[[53314,1],0]: A high-performance Open MPI point-to-point messaging module +[[6236,1],1]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6421,8 +6462,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[ionos15-amd64:3570115] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[ionos15-amd64:3570115] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:2725156] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:2725156] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_pm3pddg_rpmd.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Error 5.540741e-10 1.507724e-08 > Error 5.539107e-10 1.507280e-08 @@ -6449,11 +6490,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_pm3pddg_davidsonCIS_singlet_rpmd.in > temp.dat -------------------------------------------------------------------------- -[[10719,1],0]: A high-performance Open MPI point-to-point messaging module +[[5941,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6478,11 +6519,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_pm3pddg_davidsonCIS_singlet_rpmd.in > temp.dat -------------------------------------------------------------------------- -[[11791,1],0]: A high-performance Open MPI point-to-point messaging module +[[4112,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6509,11 +6550,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_pm3pddg_davidsonCIS_singlet_rpmd.in > temp.dat -------------------------------------------------------------------------- -[[9572,1],1]: A high-performance Open MPI point-to-point messaging module +[[11744,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6521,8 +6562,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[ionos15-amd64:3575013] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[ionos15-amd64:3575013] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:2728088] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:2728088] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_pm3pddg_davidsonCIS_singlet_rpmd.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Error 1.336531e-11 3.636915e-10 > Error 1.350031e-11 3.673651e-10 @@ -6548,11 +6589,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_pm3d.in > temp.dat -------------------------------------------------------------------------- -[[13364,1],0]: A high-performance Open MPI point-to-point messaging module +[[10837,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6569,11 +6610,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_pm3d.in > temp.dat -------------------------------------------------------------------------- -[[13436,1],0]: A high-performance Open MPI point-to-point messaging module +[[10780,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6590,11 +6631,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_pm3d.in > temp.dat -------------------------------------------------------------------------- -[[14182,1],1]: A high-performance Open MPI point-to-point messaging module +[[10983,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6602,8 +6643,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[ionos15-amd64:3579623] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[ionos15-amd64:3579623] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:2729887] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:2729887] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_pm3d.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -6619,11 +6660,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_pm3_vdw.in > temp.dat -------------------------------------------------------------------------- -[[14035,1],0]: A high-performance Open MPI point-to-point messaging module +[[10910,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6640,11 +6681,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_pm3_vdw.in > temp.dat -------------------------------------------------------------------------- -[[13923,1],0]: A high-performance Open MPI point-to-point messaging module +[[9553,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6661,11 +6702,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_pm3_vdw.in > temp.dat -------------------------------------------------------------------------- -[[2559,1],0]: A high-performance Open MPI point-to-point messaging module +[[9510,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6673,8 +6714,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[ionos15-amd64:3580030] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[ionos15-amd64:3580030] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:2730078] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:2730078] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_pm3_vdw.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -6690,11 +6731,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_pm3_vdw_force.in > temp.dat -------------------------------------------------------------------------- -[[2944,1],0]: A high-performance Open MPI point-to-point messaging module +[[9694,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6721,11 +6762,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_pm3_vdw_force.in > temp.dat -------------------------------------------------------------------------- -[[3497,1],0]: A high-performance Open MPI point-to-point messaging module +[[9332,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6750,11 +6791,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_pm3_vdw_force.in > temp.dat -------------------------------------------------------------------------- -[[3369,1],0]: A high-performance Open MPI point-to-point messaging module +[[9242,1],1]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6762,8 +6803,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[ionos15-amd64:3581096] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[ionos15-amd64:3581096] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:2730338] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:2730338] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_pm3_vdw_force.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Error: 1.999307e-10 5.440436e-09 > Error: 1.999236e-10 5.440242e-09 @@ -6789,11 +6830,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_pm3_vdw_MC.in > temp.dat -------------------------------------------------------------------------- -[[3073,1],0]: A high-performance Open MPI point-to-point messaging module +[[10101,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6810,11 +6851,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_pm3_vdw_MC.in > temp.dat -------------------------------------------------------------------------- -[[3991,1],0]: A high-performance Open MPI point-to-point messaging module +[[9987,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6831,11 +6872,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6_pm3_vdw_MC.in > temp.dat -------------------------------------------------------------------------- -[[3856,1],0]: A high-performance Open MPI point-to-point messaging module +[[9835,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6843,8 +6884,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[ionos15-amd64:3581585] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[ionos15-amd64:3581585] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:2730771] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:2730771] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6_pm3_vdw_MC.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -6860,11 +6901,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6-h2o-cluster_pm3pddg_freq.in > temp.dat -------------------------------------------------------------------------- -[[3823,1],0]: A high-performance Open MPI point-to-point messaging module +[[9868,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6883,11 +6924,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6-h2o-cluster_pm3pddg_freq.in > temp.dat -------------------------------------------------------------------------- -[[272,1],0]: A high-performance Open MPI point-to-point messaging module +[[8677,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6906,11 +6947,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6-h2o-cluster_pm3pddg_freq.in > temp.dat -------------------------------------------------------------------------- -[[0,1],0]: A high-performance Open MPI point-to-point messaging module +[[8308,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6918,8 +6959,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[ionos15-amd64:3582337] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[ionos15-amd64:3582337] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:2731276] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:2731276] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6-h2o-cluster_pm3pddg_freq.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Normal mode(mw): 16 5.022861e-03 1.102390e+03 -7.713088e-04 3.248627e-01 -1.875741e-01 2.528061e-04 -3.313865e-01 1.874060e-01 -4.170055e-01 -6.775789e-02 4.265411e-02 9.366652e-04 -5.178697e-02 3.091421e-02 4.166174e-01 -6.794952e-02 3.968568e-02 -4.088095e-01 6.730960e-02 -3.685456e-02 3.257352e-03 6.847591e-02 -3.735743e-02 4.070680e-01 6.706845e-02 -3.577617e-02 -3.529330e-04 -2.939476e-04 4.026484e-04 5.179981e-04 4.160579e-03 -2.429848e-03 6.140996e-04 4.174905e-03 -1.860216e-03 > Normal mode(mw): 16 5.022861e-03 1.102390e+03 -7.713088e-04 3.248627e-01 -1.875741e-01 2.528060e-04 -3.313865e-01 1.874060e-01 -4.170055e-01 -6.775789e-02 4.265411e-02 9.366652e-04 -5.178697e-02 3.091421e-02 4.166174e-01 -6.794952e-02 3.968568e-02 -4.088095e-01 6.730960e-02 -3.685456e-02 3.257352e-03 6.847591e-02 -3.735743e-02 4.070680e-01 6.706845e-02 -3.577617e-02 -3.529330e-04 -2.939476e-04 4.026484e-04 5.179981e-04 4.160579e-03 -2.429848e-03 6.140996e-04 4.174905e-03 -1.860216e-03 @@ -6937,11 +6978,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6-nh3-cluster_pm3d_freq.in > temp.dat -------------------------------------------------------------------------- -[[707,1],0]: A high-performance Open MPI point-to-point messaging module +[[9070,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6958,11 +6999,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6-nh3-cluster_pm3d_freq.in > temp.dat -------------------------------------------------------------------------- -[[1488,1],0]: A high-performance Open MPI point-to-point messaging module +[[9172,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6979,11 +7020,11 @@ OMP_NUM_THREADS:2 command: mpirun -np 2 ../src/molds c2h6-nh3-cluster_pm3d_freq.in > temp.dat -------------------------------------------------------------------------- -[[1945,1],0]: A high-performance Open MPI point-to-point messaging module +[[8810,1],1]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -6991,8 +7032,8 @@ NOTE: You can disable this warning by setting the MCA parameter btl_base_warn_component_unused to 0. -------------------------------------------------------------------------- -[ionos15-amd64:3583512] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics -[ionos15-amd64:3583512] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages +[i-capture-the-hostname:2731794] 1 more process has sent help message help-mpi-btl-base.txt / btl:no-nics +[i-capture-the-hostname:2731794] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages command: diff c2h6-nh3-cluster_pm3d_freq.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] @@ -7008,11 +7049,11 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_mndo_directCIS_singlet_force_heap_limit.in > temp.dat -------------------------------------------------------------------------- -[[4333,1],0]: A high-performance Open MPI point-to-point messaging module +[[15745,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -7037,19 +7078,19 @@ < ./molds(main+0x6e2) [0x5f2ff6] < /lib/x86_64-linux-gnu/libc.so.6(__libc_start_main+0xed) [0x7f234416d76d] < ./molds() [0x48f4f9] -> ../src/molds(+0x38ef7) [0x5625b2cb6ef7] -> ../src/molds(+0x390b0) [0x5625b2cb70b0] -> ../src/molds(+0x40a6f) [0x5625b2cbea6f] -> ../src/molds(+0x81fc1) [0x5625b2cfffc1] -> ../src/molds(+0xd3ab1) [0x5625b2d51ab1] -> ../src/molds(+0xd3e14) [0x5625b2d51e14] -> ../src/molds(+0xd351a) [0x5625b2d5151a] -> ../src/molds(+0xd946c) [0x5625b2d5746c] -> ../src/molds(+0xef499) [0x5625b2d6d499] -> ../src/molds(+0xefa20) [0x5625b2d6da20] -> ../src/molds(+0x35493) [0x5625b2cb3493] -> /lib/x86_64-linux-gnu/libc.so.6(__libc_start_main+0xeb) [0x7f1efb2e409b] -> ../src/molds(+0x3559a) [0x5625b2cb359a] +> ../src/molds(+0x38ef7) [0x559376f95ef7] +> ../src/molds(+0x390b0) [0x559376f960b0] +> ../src/molds(+0x40a6f) [0x559376f9da6f] +> ../src/molds(+0x81fc1) [0x559376fdefc1] +> ../src/molds(+0xd3ab1) [0x559377030ab1] +> ../src/molds(+0xd3e14) [0x559377030e14] +> ../src/molds(+0xd351a) [0x55937703051a] +> ../src/molds(+0xd946c) [0x55937703646c] +> ../src/molds(+0xef499) [0x55937704c499] +> ../src/molds(+0xefa20) [0x55937704ca20] +> ../src/molds(+0x35493) [0x559376f92493] +> /lib/x86_64-linux-gnu/libc.so.6(__libc_start_main+0xeb) [0x7f7980e4409b] +> ../src/molds(+0x3559a) [0x559376f9259a] @@ -7058,11 +7099,11 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_mndo_directCIS_singlet_force_heap_limit.in > temp.dat -------------------------------------------------------------------------- -[[5050,1],0]: A high-performance Open MPI point-to-point messaging module +[[15433,1],0]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) - Host: ionos15-amd64 + Host: i-capture-the-hostname Another transport will be used instead, although this may result in lower performance. @@ -7087,19 +7128,19 @@ < ./molds(main+0x6e2) [0x5f2ff6] < /lib/x86_64-linux-gnu/libc.so.6(__libc_start_main+0xed) [0x7f234416d76d] < ./molds() [0x48f4f9] -> ../src/molds(+0x38ef7) [0x55ef537aaef7] -> ../src/molds(+0x390b0) [0x55ef537ab0b0] -> ../src/molds(+0x40a6f) [0x55ef537b2a6f] -> ../src/molds(+0x81fc1) [0x55ef537f3fc1] -> ../src/molds(+0xd3ab1) [0x55ef53845ab1] -> ../src/molds(+0xd3e14) [0x55ef53845e14] -> ../src/molds(+0xd351a) [0x55ef5384551a] -> ../src/molds(+0xd946c) [0x55ef5384b46c] -> ../src/molds(+0xef499) [0x55ef53861499] -> ../src/molds(+0xefa20) [0x55ef53861a20] -> ../src/molds(+0x35493) [0x55ef537a7493] -> /lib/x86_64-linux-gnu/libc.so.6(__libc_start_main+0xeb) [0x7ffa65f1c09b] -> ../src/molds(+0x3559a) [0x55ef537a759a] +> ../src/molds(+0x38ef7) [0x558d6d538ef7] +> ../src/molds(+0x390b0) [0x558d6d5390b0] +> ../src/molds(+0x40a6f) [0x558d6d540a6f] +> ../src/molds(+0x81fc1) [0x558d6d581fc1] +> ../src/molds(+0xd3ab1) [0x558d6d5d3ab1] +> ../src/molds(+0xd3e14) [0x558d6d5d3e14] +> ../src/molds(+0xd351a) [0x558d6d5d351a] +> ../src/molds(+0xd946c) [0x558d6d5d946c] +> ../src/molds(+0xef499) [0x558d6d5ef499] +> ../src/molds(+0xefa20) [0x558d6d5efa20] +> ../src/molds(+0x35493) [0x558d6d535493] +> /lib/x86_64-linux-gnu/libc.so.6(__libc_start_main+0xeb) [0x7f75bef4c09b] +> ../src/molds(+0x3559a) [0x558d6d53559a] @@ -7140,8 +7181,8 @@ dpkg-gencontrol: warning: unknown information field 'Dm-Upload-Allowed' in input data in general section of control info file dh_md5sums dh_builddeb -dpkg-deb: building package 'molds' in '../molds_0.3.1-1_amd64.deb'. dpkg-deb: building package 'molds-dbgsym' in '../molds-dbgsym_0.3.1-1_amd64.deb'. +dpkg-deb: building package 'molds' in '../molds_0.3.1-1_amd64.deb'. dpkg-genbuildinfo --build=binary dpkg-genchanges --build=binary >../molds_0.3.1-1_amd64.changes dpkg-genchanges: warning: unknown information field 'Dm-Upload-Allowed' in input data in general section of control info file @@ -7152,12 +7193,14 @@ dpkg-genchanges: warning: unknown information field 'Dm-Upload-Allowed' in input data in general section of control info file dpkg-genchanges: info: including full source code in upload I: copying local configuration +I: user script /srv/workspace/pbuilder/2468478/tmp/hooks/B01_cleanup starting +I: user script /srv/workspace/pbuilder/2468478/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/3427280 and its subdirectories -I: Current time: Tue Jan 10 16:26:41 -12 2023 -I: pbuilder-time-stamp: 1673411201 +I: removing directory /srv/workspace/pbuilder/2468478 and its subdirectories +I: Current time: Thu Dec 9 12:28:46 +14 2021 +I: pbuilder-time-stamp: 1639002526