0s autopkgtest [22:22:59]: starting date and time: 2024-11-23 22:22:59+0000 0s autopkgtest [22:22:59]: git checkout: 0acbae0a WIP show VirtSubproc stderr in real-time 0s autopkgtest [22:22:59]: host juju-7f2275-prod-proposed-migration-environment-2; command line: /home/ubuntu/autopkgtest/runner/autopkgtest --output-dir /tmp/autopkgtest-work.brxzunpu/out --timeout-copy=6000 --setup-commands /home/ubuntu/autopkgtest-cloud/worker-config-production/setup-canonical.sh --apt-pocket=proposed=src:openmpi --apt-upgrade gromacs --timeout-short=300 --timeout-copy=20000 --timeout-build=20000 --env=ADT_TEST_TRIGGERS=openmpi/5.0.5-6 -- ssh -s /home/ubuntu/autopkgtest/ssh-setup/nova -- --flavor autopkgtest-ppc64el --security-groups autopkgtest-juju-7f2275-prod-proposed-migration-environment-2@bos03-ppc64el-11.secgroup --name adt-plucky-ppc64el-gromacs-20241123-222259-juju-7f2275-prod-proposed-migration-environment-2-48080dbf-f5ad-49eb-ba52-704550bcf692 --image adt/ubuntu-plucky-ppc64el-server --keyname testbed-juju-7f2275-prod-proposed-migration-environment-2 --net-id=net_prod-proposed-migration-ppc64el -e TERM=linux -e ''"'"'http_proxy=http://squid.internal:3128'"'"'' -e ''"'"'https_proxy=http://squid.internal:3128'"'"'' -e ''"'"'no_proxy=127.0.0.1,127.0.1.1,login.ubuntu.com,localhost,localdomain,novalocal,internal,archive.ubuntu.com,ports.ubuntu.com,security.ubuntu.com,ddebs.ubuntu.com,changelogs.ubuntu.com,keyserver.ubuntu.com,launchpadlibrarian.net,launchpadcontent.net,launchpad.net,10.24.0.0/24,keystone.ps5.canonical.com,objectstorage.prodstack5.canonical.com'"'"'' --mirror=http://ftpmaster.internal/ubuntu/ 73s autopkgtest [22:24:12]: testbed dpkg architecture: ppc64el 73s autopkgtest [22:24:12]: testbed apt version: 2.9.8 73s autopkgtest [22:24:12]: @@@@@@@@@@@@@@@@@@@@ test bed setup 74s Get:1 http://ftpmaster.internal/ubuntu plucky-proposed InRelease [73.9 kB] 74s Get:2 http://ftpmaster.internal/ubuntu plucky-proposed/restricted Sources [9704 B] 74s Get:3 http://ftpmaster.internal/ubuntu plucky-proposed/universe Sources [908 kB] 74s Get:4 http://ftpmaster.internal/ubuntu plucky-proposed/multiverse Sources [13.6 kB] 74s Get:5 http://ftpmaster.internal/ubuntu plucky-proposed/main Sources [50.6 kB] 74s Get:6 http://ftpmaster.internal/ubuntu plucky-proposed/main ppc64el Packages [62.6 kB] 74s Get:7 http://ftpmaster.internal/ubuntu plucky-proposed/restricted ppc64el Packages [756 B] 74s Get:8 http://ftpmaster.internal/ubuntu plucky-proposed/universe ppc64el Packages [765 kB] 74s Get:9 http://ftpmaster.internal/ubuntu plucky-proposed/multiverse ppc64el Packages [9468 B] 74s Fetched 1893 kB in 1s (2010 kB/s) 74s Reading package lists... 77s Reading package lists... 77s Building dependency tree... 77s Reading state information... 77s Calculating upgrade... 77s The following package was automatically installed and is no longer required: 77s libsgutils2-1.46-2 77s Use 'sudo apt autoremove' to remove it. 78s The following NEW packages will be installed: 78s libsgutils2-1.48 78s The following packages will be upgraded: 78s bash bpftrace curl debconf debconf-i18n distro-info dracut-install 78s gir1.2-girepository-2.0 gir1.2-glib-2.0 hostname init init-system-helpers 78s libaudit-common libaudit1 libcurl3t64-gnutls libcurl4t64 78s libgirepository-1.0-1 libglib2.0-0t64 libglib2.0-data liblzma5 78s libpam-modules libpam-modules-bin libpam-runtime libpam0g libplymouth5 78s libselinux1 libsemanage-common libsemanage2 linux-base lsvpd lxd-installer 78s openssh-client openssh-server openssh-sftp-server pinentry-curses plymouth 78s plymouth-theme-ubuntu-text python3-blinker python3-dbus python3-debconf 78s python3-gi python3-jsonschema-specifications python3-rpds-py python3-yaml 78s sg3-utils sg3-utils-udev vim-common vim-tiny xxd xz-utils 78s 50 upgraded, 1 newly installed, 0 to remove and 0 not upgraded. 78s Need to get 14.1 MB of archives. 78s After this operation, 3675 kB of additional disk space will be used. 78s Get:1 http://ftpmaster.internal/ubuntu plucky/main ppc64el bash ppc64el 5.2.32-1ubuntu2 [979 kB] 78s Get:2 http://ftpmaster.internal/ubuntu plucky/main ppc64el hostname ppc64el 3.25 [11.3 kB] 78s Get:3 http://ftpmaster.internal/ubuntu plucky/main ppc64el init-system-helpers all 1.67ubuntu1 [39.1 kB] 78s Get:4 http://ftpmaster.internal/ubuntu plucky/main ppc64el libaudit-common all 1:4.0.2-2ubuntu1 [6578 B] 78s Get:5 http://ftpmaster.internal/ubuntu plucky/main ppc64el libaudit1 ppc64el 1:4.0.2-2ubuntu1 [59.6 kB] 78s Get:6 http://ftpmaster.internal/ubuntu plucky/main ppc64el debconf-i18n all 1.5.87ubuntu1 [204 kB] 78s Get:7 http://ftpmaster.internal/ubuntu plucky/main ppc64el python3-debconf all 1.5.87ubuntu1 [4156 B] 78s Get:8 http://ftpmaster.internal/ubuntu plucky/main ppc64el debconf all 1.5.87ubuntu1 [124 kB] 78s Get:9 http://ftpmaster.internal/ubuntu plucky/main ppc64el libpam0g ppc64el 1.5.3-7ubuntu4 [76.2 kB] 78s Get:10 http://ftpmaster.internal/ubuntu plucky/main ppc64el libselinux1 ppc64el 3.7-3ubuntu1 [100 kB] 78s Get:11 http://ftpmaster.internal/ubuntu plucky/main ppc64el libpam-modules-bin ppc64el 1.5.3-7ubuntu4 [57.6 kB] 78s Get:12 http://ftpmaster.internal/ubuntu plucky/main ppc64el libpam-modules ppc64el 1.5.3-7ubuntu4 [325 kB] 78s Get:13 http://ftpmaster.internal/ubuntu plucky/main ppc64el init ppc64el 1.67ubuntu1 [6432 B] 78s Get:14 http://ftpmaster.internal/ubuntu plucky/main ppc64el openssh-sftp-server ppc64el 1:9.9p1-3ubuntu2 [43.4 kB] 78s Get:15 http://ftpmaster.internal/ubuntu plucky/main ppc64el openssh-server ppc64el 1:9.9p1-3ubuntu2 [680 kB] 78s Get:16 http://ftpmaster.internal/ubuntu plucky/main ppc64el openssh-client ppc64el 1:9.9p1-3ubuntu2 [1169 kB] 78s Get:17 http://ftpmaster.internal/ubuntu plucky/main ppc64el libpam-runtime all 1.5.3-7ubuntu4 [40.8 kB] 78s Get:18 http://ftpmaster.internal/ubuntu plucky/main ppc64el liblzma5 ppc64el 5.6.3-1 [172 kB] 78s Get:19 http://ftpmaster.internal/ubuntu plucky/main ppc64el libsemanage-common all 3.7-2build1 [7186 B] 78s Get:20 http://ftpmaster.internal/ubuntu plucky/main ppc64el libsemanage2 ppc64el 3.7-2build1 [115 kB] 78s Get:21 http://ftpmaster.internal/ubuntu plucky/main ppc64el distro-info ppc64el 1.12 [20.0 kB] 78s Get:22 http://ftpmaster.internal/ubuntu plucky/main ppc64el gir1.2-girepository-2.0 ppc64el 1.82.0-2 [25.3 kB] 78s Get:23 http://ftpmaster.internal/ubuntu plucky/main ppc64el gir1.2-glib-2.0 ppc64el 2.82.2-3 [182 kB] 78s Get:24 http://ftpmaster.internal/ubuntu plucky/main ppc64el libglib2.0-0t64 ppc64el 2.82.2-3 [1787 kB] 78s Get:25 http://ftpmaster.internal/ubuntu plucky/main ppc64el libgirepository-1.0-1 ppc64el 1.82.0-2 [95.5 kB] 78s Get:26 http://ftpmaster.internal/ubuntu plucky/main ppc64el libglib2.0-data all 2.82.2-3 [51.7 kB] 78s Get:27 http://ftpmaster.internal/ubuntu plucky/main ppc64el python3-dbus ppc64el 1.3.2-5build4 [117 kB] 78s Get:28 http://ftpmaster.internal/ubuntu plucky/main ppc64el python3-gi ppc64el 3.50.0-3build1 [308 kB] 78s Get:29 http://ftpmaster.internal/ubuntu plucky/main ppc64el python3-yaml ppc64el 6.0.2-1build1 [180 kB] 78s Get:30 http://ftpmaster.internal/ubuntu plucky/main ppc64el vim-tiny ppc64el 2:9.1.0861-1ubuntu1 [1078 kB] 78s Get:31 http://ftpmaster.internal/ubuntu plucky/main ppc64el vim-common all 2:9.1.0861-1ubuntu1 [395 kB] 79s Get:32 http://ftpmaster.internal/ubuntu plucky/main ppc64el xxd ppc64el 2:9.1.0861-1ubuntu1 [67.9 kB] 79s Get:33 http://ftpmaster.internal/ubuntu plucky/main ppc64el libplymouth5 ppc64el 24.004.60-2ubuntu3 [169 kB] 79s Get:34 http://ftpmaster.internal/ubuntu plucky/main ppc64el libsgutils2-1.48 ppc64el 1.48-0ubuntu1 [133 kB] 79s Get:35 http://ftpmaster.internal/ubuntu plucky/main ppc64el lsvpd ppc64el 1.7.14-1ubuntu3 [162 kB] 79s Get:36 http://ftpmaster.internal/ubuntu plucky/main ppc64el plymouth-theme-ubuntu-text ppc64el 24.004.60-2ubuntu3 [11.1 kB] 79s Get:37 http://ftpmaster.internal/ubuntu plucky/main ppc64el plymouth ppc64el 24.004.60-2ubuntu3 [152 kB] 79s Get:38 http://ftpmaster.internal/ubuntu plucky/main ppc64el xz-utils ppc64el 5.6.3-1 [280 kB] 79s Get:39 http://ftpmaster.internal/ubuntu plucky/main ppc64el bpftrace ppc64el 0.21.2-2ubuntu3 [1898 kB] 79s Get:40 http://ftpmaster.internal/ubuntu plucky/main ppc64el curl ppc64el 8.9.1-2ubuntu3 [247 kB] 79s Get:41 http://ftpmaster.internal/ubuntu plucky/main ppc64el libcurl4t64 ppc64el 8.9.1-2ubuntu3 [464 kB] 79s Get:42 http://ftpmaster.internal/ubuntu plucky/main ppc64el dracut-install ppc64el 105-2ubuntu2 [38.5 kB] 79s Get:43 http://ftpmaster.internal/ubuntu plucky/main ppc64el libcurl3t64-gnutls ppc64el 8.9.1-2ubuntu3 [461 kB] 79s Get:44 http://ftpmaster.internal/ubuntu plucky/main ppc64el linux-base all 4.10.1ubuntu1 [34.8 kB] 79s Get:45 http://ftpmaster.internal/ubuntu plucky/main ppc64el lxd-installer all 10 [5264 B] 79s Get:46 http://ftpmaster.internal/ubuntu plucky/main ppc64el pinentry-curses ppc64el 1.3.1-0ubuntu2 [43.5 kB] 79s Get:47 http://ftpmaster.internal/ubuntu plucky/main ppc64el python3-blinker all 1.9.0-1 [10.7 kB] 79s Get:48 http://ftpmaster.internal/ubuntu plucky/main ppc64el python3-rpds-py ppc64el 0.21.0-2ubuntu1 [338 kB] 79s Get:49 http://ftpmaster.internal/ubuntu plucky/main ppc64el python3-jsonschema-specifications all 2023.12.1-2 [9116 B] 79s Get:50 http://ftpmaster.internal/ubuntu plucky/main ppc64el sg3-utils ppc64el 1.48-0ubuntu1 [1070 kB] 79s Get:51 http://ftpmaster.internal/ubuntu plucky/main ppc64el sg3-utils-udev all 1.48-0ubuntu1 [6608 B] 79s Preconfiguring packages ... 79s Fetched 14.1 MB in 1s (11.3 MB/s) 79s (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 ... 73847 files and directories currently installed.) 79s Preparing to unpack .../bash_5.2.32-1ubuntu2_ppc64el.deb ... 79s Unpacking bash (5.2.32-1ubuntu2) over (5.2.32-1ubuntu1) ... 79s Setting up bash (5.2.32-1ubuntu2) ... 80s update-alternatives: using /usr/share/man/man7/bash-builtins.7.gz to provide /usr/share/man/man7/builtins.7.gz (builtins.7.gz) in auto mode 80s (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 ... 73847 files and directories currently installed.) 80s Preparing to unpack .../hostname_3.25_ppc64el.deb ... 80s Unpacking hostname (3.25) over (3.23+nmu2ubuntu2) ... 80s Setting up hostname (3.25) ... 80s (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 ... 73847 files and directories currently installed.) 80s Preparing to unpack .../init-system-helpers_1.67ubuntu1_all.deb ... 80s Unpacking init-system-helpers (1.67ubuntu1) over (1.66ubuntu1) ... 80s Setting up init-system-helpers (1.67ubuntu1) ... 80s (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 ... 73847 files and directories currently installed.) 80s Preparing to unpack .../libaudit-common_1%3a4.0.2-2ubuntu1_all.deb ... 80s Unpacking libaudit-common (1:4.0.2-2ubuntu1) over (1:4.0.1-1ubuntu2) ... 80s Setting up libaudit-common (1:4.0.2-2ubuntu1) ... 80s (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 ... 73847 files and directories currently installed.) 80s Preparing to unpack .../libaudit1_1%3a4.0.2-2ubuntu1_ppc64el.deb ... 80s Unpacking libaudit1:ppc64el (1:4.0.2-2ubuntu1) over (1:4.0.1-1ubuntu2) ... 80s Setting up libaudit1:ppc64el (1:4.0.2-2ubuntu1) ... 80s (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 ... 73847 files and directories currently installed.) 80s Preparing to unpack .../debconf-i18n_1.5.87ubuntu1_all.deb ... 80s Unpacking debconf-i18n (1.5.87ubuntu1) over (1.5.86ubuntu1) ... 80s Preparing to unpack .../python3-debconf_1.5.87ubuntu1_all.deb ... 80s Unpacking python3-debconf (1.5.87ubuntu1) over (1.5.86ubuntu1) ... 80s Preparing to unpack .../debconf_1.5.87ubuntu1_all.deb ... 80s Unpacking debconf (1.5.87ubuntu1) over (1.5.86ubuntu1) ... 80s Setting up debconf (1.5.87ubuntu1) ... 80s (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 ... 73847 files and directories currently installed.) 80s Preparing to unpack .../libpam0g_1.5.3-7ubuntu4_ppc64el.deb ... 80s Unpacking libpam0g:ppc64el (1.5.3-7ubuntu4) over (1.5.3-7ubuntu2) ... 80s Setting up libpam0g:ppc64el (1.5.3-7ubuntu4) ... 80s (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 ... 73847 files and directories currently installed.) 80s Preparing to unpack .../libselinux1_3.7-3ubuntu1_ppc64el.deb ... 80s Unpacking libselinux1:ppc64el (3.7-3ubuntu1) over (3.5-2ubuntu5) ... 80s Setting up libselinux1:ppc64el (3.7-3ubuntu1) ... 80s (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 ... 73847 files and directories currently installed.) 80s Preparing to unpack .../libpam-modules-bin_1.5.3-7ubuntu4_ppc64el.deb ... 80s Unpacking libpam-modules-bin (1.5.3-7ubuntu4) over (1.5.3-7ubuntu2) ... 80s Setting up libpam-modules-bin (1.5.3-7ubuntu4) ... 81s pam_namespace.service is a disabled or a static unit not running, not starting it. 81s (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 ... 73847 files and directories currently installed.) 81s Preparing to unpack .../libpam-modules_1.5.3-7ubuntu4_ppc64el.deb ... 81s Unpacking libpam-modules:ppc64el (1.5.3-7ubuntu4) over (1.5.3-7ubuntu2) ... 81s Setting up libpam-modules:ppc64el (1.5.3-7ubuntu4) ... 81s (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 ... 73847 files and directories currently installed.) 81s Preparing to unpack .../init_1.67ubuntu1_ppc64el.deb ... 81s Unpacking init (1.67ubuntu1) over (1.66ubuntu1) ... 81s Preparing to unpack .../openssh-sftp-server_1%3a9.9p1-3ubuntu2_ppc64el.deb ... 81s Unpacking openssh-sftp-server (1:9.9p1-3ubuntu2) over (1:9.7p1-7ubuntu5) ... 81s Preparing to unpack .../openssh-server_1%3a9.9p1-3ubuntu2_ppc64el.deb ... 81s Unpacking openssh-server (1:9.9p1-3ubuntu2) over (1:9.7p1-7ubuntu5) ... 81s Preparing to unpack .../openssh-client_1%3a9.9p1-3ubuntu2_ppc64el.deb ... 81s Unpacking openssh-client (1:9.9p1-3ubuntu2) over (1:9.7p1-7ubuntu5) ... 81s Preparing to unpack .../libpam-runtime_1.5.3-7ubuntu4_all.deb ... 81s Unpacking libpam-runtime (1.5.3-7ubuntu4) over (1.5.3-7ubuntu2) ... 81s Setting up libpam-runtime (1.5.3-7ubuntu4) ... 81s (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 ... 73849 files and directories currently installed.) 81s Preparing to unpack .../liblzma5_5.6.3-1_ppc64el.deb ... 81s Unpacking liblzma5:ppc64el (5.6.3-1) over (5.6.2-2) ... 81s Setting up liblzma5:ppc64el (5.6.3-1) ... 82s (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 ... 73849 files and directories currently installed.) 82s Preparing to unpack .../libsemanage-common_3.7-2build1_all.deb ... 82s Unpacking libsemanage-common (3.7-2build1) over (3.5-1build6) ... 82s Setting up libsemanage-common (3.7-2build1) ... 82s (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 ... 73848 files and directories currently installed.) 82s Preparing to unpack .../libsemanage2_3.7-2build1_ppc64el.deb ... 82s Unpacking libsemanage2:ppc64el (3.7-2build1) over (3.5-1build6) ... 82s Setting up libsemanage2:ppc64el (3.7-2build1) ... 82s (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 ... 73848 files and directories currently installed.) 82s Preparing to unpack .../00-distro-info_1.12_ppc64el.deb ... 82s Unpacking distro-info (1.12) over (1.9) ... 82s Preparing to unpack .../01-gir1.2-girepository-2.0_1.82.0-2_ppc64el.deb ... 82s Unpacking gir1.2-girepository-2.0:ppc64el (1.82.0-2) over (1.80.1-4) ... 82s Preparing to unpack .../02-gir1.2-glib-2.0_2.82.2-3_ppc64el.deb ... 82s Unpacking gir1.2-glib-2.0:ppc64el (2.82.2-3) over (2.82.1-0ubuntu1) ... 82s Preparing to unpack .../03-libglib2.0-0t64_2.82.2-3_ppc64el.deb ... 82s Unpacking libglib2.0-0t64:ppc64el (2.82.2-3) over (2.82.1-0ubuntu1) ... 82s Preparing to unpack .../04-libgirepository-1.0-1_1.82.0-2_ppc64el.deb ... 82s Unpacking libgirepository-1.0-1:ppc64el (1.82.0-2) over (1.80.1-4) ... 82s Preparing to unpack .../05-libglib2.0-data_2.82.2-3_all.deb ... 82s Unpacking libglib2.0-data (2.82.2-3) over (2.82.1-0ubuntu1) ... 82s Preparing to unpack .../06-python3-dbus_1.3.2-5build4_ppc64el.deb ... 82s Unpacking python3-dbus (1.3.2-5build4) over (1.3.2-5build3) ... 82s Preparing to unpack .../07-python3-gi_3.50.0-3build1_ppc64el.deb ... 82s Unpacking python3-gi (3.50.0-3build1) over (3.50.0-3) ... 82s Preparing to unpack .../08-python3-yaml_6.0.2-1build1_ppc64el.deb ... 82s Unpacking python3-yaml (6.0.2-1build1) over (6.0.2-1) ... 82s Preparing to unpack .../09-vim-tiny_2%3a9.1.0861-1ubuntu1_ppc64el.deb ... 82s Unpacking vim-tiny (2:9.1.0861-1ubuntu1) over (2:9.1.0777-1ubuntu1) ... 82s Preparing to unpack .../10-vim-common_2%3a9.1.0861-1ubuntu1_all.deb ... 82s Unpacking vim-common (2:9.1.0861-1ubuntu1) over (2:9.1.0777-1ubuntu1) ... 82s Preparing to unpack .../11-xxd_2%3a9.1.0861-1ubuntu1_ppc64el.deb ... 82s Unpacking xxd (2:9.1.0861-1ubuntu1) over (2:9.1.0777-1ubuntu1) ... 82s Preparing to unpack .../12-libplymouth5_24.004.60-2ubuntu3_ppc64el.deb ... 82s Unpacking libplymouth5:ppc64el (24.004.60-2ubuntu3) over (24.004.60-1ubuntu11) ... 82s Selecting previously unselected package libsgutils2-1.48:ppc64el. 82s Preparing to unpack .../13-libsgutils2-1.48_1.48-0ubuntu1_ppc64el.deb ... 82s Unpacking libsgutils2-1.48:ppc64el (1.48-0ubuntu1) ... 82s Preparing to unpack .../14-lsvpd_1.7.14-1ubuntu3_ppc64el.deb ... 82s Unpacking lsvpd (1.7.14-1ubuntu3) over (1.7.14-1ubuntu2) ... 82s Preparing to unpack .../15-plymouth-theme-ubuntu-text_24.004.60-2ubuntu3_ppc64el.deb ... 82s Unpacking plymouth-theme-ubuntu-text (24.004.60-2ubuntu3) over (24.004.60-1ubuntu11) ... 82s Preparing to unpack .../16-plymouth_24.004.60-2ubuntu3_ppc64el.deb ... 82s Unpacking plymouth (24.004.60-2ubuntu3) over (24.004.60-1ubuntu11) ... 82s Preparing to unpack .../17-xz-utils_5.6.3-1_ppc64el.deb ... 82s Unpacking xz-utils (5.6.3-1) over (5.6.2-2) ... 82s Preparing to unpack .../18-bpftrace_0.21.2-2ubuntu3_ppc64el.deb ... 82s Unpacking bpftrace (0.21.2-2ubuntu3) over (0.21.2-2ubuntu2) ... 82s Preparing to unpack .../19-curl_8.9.1-2ubuntu3_ppc64el.deb ... 82s Unpacking curl (8.9.1-2ubuntu3) over (8.9.1-2ubuntu2) ... 82s Preparing to unpack .../20-libcurl4t64_8.9.1-2ubuntu3_ppc64el.deb ... 82s Unpacking libcurl4t64:ppc64el (8.9.1-2ubuntu3) over (8.9.1-2ubuntu2) ... 82s Preparing to unpack .../21-dracut-install_105-2ubuntu2_ppc64el.deb ... 82s Unpacking dracut-install (105-2ubuntu2) over (105-1ubuntu1) ... 82s Preparing to unpack .../22-libcurl3t64-gnutls_8.9.1-2ubuntu3_ppc64el.deb ... 82s Unpacking libcurl3t64-gnutls:ppc64el (8.9.1-2ubuntu3) over (8.9.1-2ubuntu2) ... 82s Preparing to unpack .../23-linux-base_4.10.1ubuntu1_all.deb ... 82s Unpacking linux-base (4.10.1ubuntu1) over (4.5ubuntu9) ... 83s Preparing to unpack .../24-lxd-installer_10_all.deb ... 83s Unpacking lxd-installer (10) over (9) ... 83s Preparing to unpack .../25-pinentry-curses_1.3.1-0ubuntu2_ppc64el.deb ... 83s Unpacking pinentry-curses (1.3.1-0ubuntu2) over (1.2.1-3ubuntu5) ... 83s Preparing to unpack .../26-python3-blinker_1.9.0-1_all.deb ... 83s Unpacking python3-blinker (1.9.0-1) over (1.8.2-1) ... 83s Preparing to unpack .../27-python3-rpds-py_0.21.0-2ubuntu1_ppc64el.deb ... 83s Unpacking python3-rpds-py (0.21.0-2ubuntu1) over (0.20.0-0ubuntu3) ... 83s Preparing to unpack .../28-python3-jsonschema-specifications_2023.12.1-2_all.deb ... 83s Unpacking python3-jsonschema-specifications (2023.12.1-2) over (2023.12.1-1ubuntu1) ... 83s Preparing to unpack .../29-sg3-utils_1.48-0ubuntu1_ppc64el.deb ... 83s Unpacking sg3-utils (1.48-0ubuntu1) over (1.46-3ubuntu5) ... 83s Preparing to unpack .../30-sg3-utils-udev_1.48-0ubuntu1_all.deb ... 83s Unpacking sg3-utils-udev (1.48-0ubuntu1) over (1.46-3ubuntu5) ... 83s Setting up pinentry-curses (1.3.1-0ubuntu2) ... 83s Setting up distro-info (1.12) ... 83s Setting up linux-base (4.10.1ubuntu1) ... 83s Setting up init (1.67ubuntu1) ... 83s Setting up libcurl4t64:ppc64el (8.9.1-2ubuntu3) ... 83s Setting up bpftrace (0.21.2-2ubuntu3) ... 83s Setting up openssh-client (1:9.9p1-3ubuntu2) ... 83s Setting up python3-debconf (1.5.87ubuntu1) ... 83s Setting up libcurl3t64-gnutls:ppc64el (8.9.1-2ubuntu3) ... 83s Setting up libsgutils2-1.48:ppc64el (1.48-0ubuntu1) ... 83s Setting up python3-yaml (6.0.2-1build1) ... 83s Setting up debconf-i18n (1.5.87ubuntu1) ... 83s Setting up xxd (2:9.1.0861-1ubuntu1) ... 83s Setting up libglib2.0-0t64:ppc64el (2.82.2-3) ... 83s No schema files found: doing nothing. 83s Setting up libglib2.0-data (2.82.2-3) ... 83s Setting up vim-common (2:9.1.0861-1ubuntu1) ... 83s Setting up xz-utils (5.6.3-1) ... 83s Setting up gir1.2-glib-2.0:ppc64el (2.82.2-3) ... 83s Setting up lxd-installer (10) ... 84s Setting up python3-rpds-py (0.21.0-2ubuntu1) ... 84s Setting up dracut-install (105-2ubuntu2) ... 84s Setting up libplymouth5:ppc64el (24.004.60-2ubuntu3) ... 84s Setting up libgirepository-1.0-1:ppc64el (1.82.0-2) ... 84s Setting up curl (8.9.1-2ubuntu3) ... 84s Setting up python3-jsonschema-specifications (2023.12.1-2) ... 84s Setting up sg3-utils (1.48-0ubuntu1) ... 84s Setting up python3-blinker (1.9.0-1) ... 84s Setting up openssh-sftp-server (1:9.9p1-3ubuntu2) ... 84s Setting up python3-dbus (1.3.2-5build4) ... 84s Setting up openssh-server (1:9.9p1-3ubuntu2) ... 84s Installing new version of config file /etc/ssh/moduli ... 84s Replacing config file /etc/ssh/sshd_config with new version 85s Setting up plymouth (24.004.60-2ubuntu3) ... 85s update-initramfs: Generating /boot/initrd.img-6.11.0-8-generic 85s W: No lz4 in /usr/bin:/sbin:/bin, using gzip 92s update-rc.d: warning: start and stop actions are no longer supported; falling back to defaults 92s update-rc.d: warning: start and stop actions are no longer supported; falling back to defaults 93s Setting up lsvpd (1.7.14-1ubuntu3) ... 93s Setting up vim-tiny (2:9.1.0861-1ubuntu1) ... 93s Setting up sg3-utils-udev (1.48-0ubuntu1) ... 93s update-initramfs: deferring update (trigger activated) 93s Setting up plymouth-theme-ubuntu-text (24.004.60-2ubuntu3) ... 93s update-initramfs: deferring update (trigger activated) 93s Setting up gir1.2-girepository-2.0:ppc64el (1.82.0-2) ... 93s Setting up python3-gi (3.50.0-3build1) ... 93s Processing triggers for install-info (7.1.1-1) ... 93s Processing triggers for initramfs-tools (0.142ubuntu35) ... 93s update-initramfs: Generating /boot/initrd.img-6.11.0-8-generic 93s W: No lz4 in /usr/bin:/sbin:/bin, using gzip 99s Processing triggers for libc-bin (2.40-1ubuntu3) ... 99s Processing triggers for ufw (0.36.2-8) ... 99s Processing triggers for man-db (2.13.0-1) ... 101s Processing triggers for debianutils (5.21) ... 101s Reading package lists... 101s Building dependency tree... 101s Reading state information... 101s The following packages will be REMOVED: 101s libsgutils2-1.46-2* 102s 0 upgraded, 0 newly installed, 1 to remove and 0 not upgraded. 102s After this operation, 380 kB disk space will be freed. 102s (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 ... 73882 files and directories currently installed.) 102s Removing libsgutils2-1.46-2:ppc64el (1.46-3ubuntu5) ... 102s Processing triggers for libc-bin (2.40-1ubuntu3) ... 102s Hit:1 http://ftpmaster.internal/ubuntu plucky-proposed InRelease 102s Hit:2 http://ftpmaster.internal/ubuntu plucky InRelease 102s Hit:3 http://ftpmaster.internal/ubuntu plucky-updates InRelease 103s Hit:4 http://ftpmaster.internal/ubuntu plucky-security InRelease 103s Reading package lists... 103s Reading package lists... 104s Building dependency tree... 104s Reading state information... 104s Calculating upgrade... 104s 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. 104s Reading package lists... 104s Building dependency tree... 104s Reading state information... 105s 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. 105s autopkgtest [22:24:44]: rebooting testbed after setup commands that affected boot 109s autopkgtest-virt-ssh: WARNING: ssh connection failed. Retrying in 3 seconds... 135s autopkgtest [22:25:14]: testbed running kernel: Linux 6.11.0-8-generic #8-Ubuntu SMP Mon Sep 16 13:49:23 UTC 2024 137s autopkgtest [22:25:16]: @@@@@@@@@@@@@@@@@@@@ apt-source gromacs 145s Get:1 http://ftpmaster.internal/ubuntu plucky/universe gromacs 2024.2-1 (dsc) [3648 B] 145s Get:2 http://ftpmaster.internal/ubuntu plucky/universe gromacs 2024.2-1 (tar) [48.1 MB] 145s Get:3 http://ftpmaster.internal/ubuntu plucky/universe gromacs 2024.2-1 (tar) [42.4 MB] 145s Get:4 http://ftpmaster.internal/ubuntu plucky/universe gromacs 2024.2-1 (diff) [37.8 kB] 145s gpgv: Signature made Sat May 11 22:19:23 2024 UTC 145s gpgv: using RSA key 843E5FA61E6063389876D2E5EE4AFD69EC65108F 145s gpgv: issuer "nbreen@debian.org" 145s gpgv: Can't check signature: No public key 145s dpkg-source: warning: cannot verify inline signature for ./gromacs_2024.2-1.dsc: no acceptable signature found 148s autopkgtest [22:25:27]: testing package gromacs version 2024.2-1 149s autopkgtest [22:25:28]: build not needed 158s autopkgtest [22:25:37]: test gromacs-regressiontests: preparing testbed 159s Reading package lists... 159s Building dependency tree... 159s Reading state information... 160s Starting pkgProblemResolver with broken count: 0 160s Starting 2 pkgProblemResolver with broken count: 0 160s Done 160s The following additional packages will be installed: 160s build-essential cpp cpp-14 cpp-14-powerpc64le-linux-gnu 160s cpp-powerpc64le-linux-gnu fonts-mathjax g++ g++-14 160s g++-14-powerpc64le-linux-gnu g++-powerpc64le-linux-gnu gcc gcc-14 160s gcc-14-powerpc64le-linux-gnu gcc-powerpc64le-linux-gnu gromacs gromacs-data 160s libamd-comgr2 libamdhip64-5 libasan8 libblas3 libcc1-0 libdrm-amdgpu1 160s libevent-pthreads-2.1-7t64 libfabric1 libfftw3-bin libfftw3-dev 160s libfftw3-double3 libfftw3-long3 libfftw3-single3 libgcc-14-dev libgfortran5 160s libgomp1 libgromacs-dev libgromacs9 libhsa-runtime64-1 libhsakmt1 160s libhwloc-plugins libhwloc15 libibmad5 libibumad3 libisl23 libitm1 160s libjs-mathjax liblapack3 libllvm17t64 liblsan0 libmpc3 libmunge2 160s libmuparser2v5 libnblib-gmx-dev libnblib-gmx0 libopenmpi3t64 libpciaccess0 160s libpmix2t64 libquadmath0 librdmacm1t64 libstdc++-14-dev libtsan2 libubsan1 160s libucx0 libxnvctrl0 mpi-default-bin ocl-icd-libopencl1 openmpi-bin 160s openmpi-common 160s Suggested packages: 160s cpp-doc gcc-14-locales cpp-14-doc gcc-14-doc gcc-multilib manpages-dev 160s autoconf automake libtool flex bison gdb gcc-doc gdb-powerpc64le-linux-gnu 160s pymol libfftw3-doc mpi-default-dev zlib1g-dev fonts-mathjax-extras 160s fonts-stix libjs-mathjax-doc libstdc++-14-doc opencl-icd gfortran 160s | fortran-compiler 160s The following NEW packages will be installed: 160s autopkgtest-satdep build-essential cpp cpp-14 cpp-14-powerpc64le-linux-gnu 160s cpp-powerpc64le-linux-gnu fonts-mathjax g++ g++-14 160s g++-14-powerpc64le-linux-gnu g++-powerpc64le-linux-gnu gcc gcc-14 160s gcc-14-powerpc64le-linux-gnu gcc-powerpc64le-linux-gnu gromacs gromacs-data 160s libamd-comgr2 libamdhip64-5 libasan8 libblas3 libcc1-0 libdrm-amdgpu1 160s libevent-pthreads-2.1-7t64 libfabric1 libfftw3-bin libfftw3-dev 160s libfftw3-double3 libfftw3-long3 libfftw3-single3 libgcc-14-dev libgfortran5 160s libgomp1 libgromacs-dev libgromacs9 libhsa-runtime64-1 libhsakmt1 160s libhwloc-plugins libhwloc15 libibmad5 libibumad3 libisl23 libitm1 160s libjs-mathjax liblapack3 libllvm17t64 liblsan0 libmpc3 libmunge2 160s libmuparser2v5 libnblib-gmx-dev libnblib-gmx0 libopenmpi3t64 libpciaccess0 160s libpmix2t64 libquadmath0 librdmacm1t64 libstdc++-14-dev libtsan2 libubsan1 160s libucx0 libxnvctrl0 mpi-default-bin ocl-icd-libopencl1 openmpi-bin 160s openmpi-common 160s 0 upgraded, 66 newly installed, 0 to remove and 0 not upgraded. 160s Need to get 203 MB/203 MB of archives. 160s After this operation, 925 MB of additional disk space will be used. 160s Get:1 /tmp/autopkgtest.QBNs6j/1-autopkgtest-satdep.deb autopkgtest-satdep ppc64el 0 [764 B] 160s Get:2 http://ftpmaster.internal/ubuntu plucky/main ppc64el libisl23 ppc64el 0.27-1 [882 kB] 161s Get:3 http://ftpmaster.internal/ubuntu plucky/main ppc64el libmpc3 ppc64el 1.3.1-1build2 [62.1 kB] 161s Get:4 http://ftpmaster.internal/ubuntu plucky/main ppc64el cpp-14-powerpc64le-linux-gnu ppc64el 14.2.0-8ubuntu1 [10.5 MB] 161s Get:5 http://ftpmaster.internal/ubuntu plucky/main ppc64el cpp-14 ppc64el 14.2.0-8ubuntu1 [1034 B] 161s Get:6 http://ftpmaster.internal/ubuntu plucky/main ppc64el cpp-powerpc64le-linux-gnu ppc64el 4:14.1.0-2ubuntu1 [5456 B] 161s Get:7 http://ftpmaster.internal/ubuntu plucky/main ppc64el cpp ppc64el 4:14.1.0-2ubuntu1 [22.5 kB] 161s Get:8 http://ftpmaster.internal/ubuntu plucky/main ppc64el libcc1-0 ppc64el 14.2.0-8ubuntu1 [48.1 kB] 161s Get:9 http://ftpmaster.internal/ubuntu plucky/main ppc64el libgomp1 ppc64el 14.2.0-8ubuntu1 [161 kB] 161s Get:10 http://ftpmaster.internal/ubuntu plucky/main ppc64el libitm1 ppc64el 14.2.0-8ubuntu1 [31.9 kB] 161s Get:11 http://ftpmaster.internal/ubuntu plucky/main ppc64el libasan8 ppc64el 14.2.0-8ubuntu1 [2945 kB] 161s Get:12 http://ftpmaster.internal/ubuntu plucky/main ppc64el liblsan0 ppc64el 14.2.0-8ubuntu1 [1322 kB] 161s Get:13 http://ftpmaster.internal/ubuntu plucky/main ppc64el libtsan2 ppc64el 14.2.0-8ubuntu1 [2695 kB] 161s Get:14 http://ftpmaster.internal/ubuntu plucky/main ppc64el libubsan1 ppc64el 14.2.0-8ubuntu1 [1191 kB] 161s Get:15 http://ftpmaster.internal/ubuntu plucky/main ppc64el libquadmath0 ppc64el 14.2.0-8ubuntu1 [158 kB] 161s Get:16 http://ftpmaster.internal/ubuntu plucky/main ppc64el libgcc-14-dev ppc64el 14.2.0-8ubuntu1 [1619 kB] 161s Get:17 http://ftpmaster.internal/ubuntu plucky/main ppc64el gcc-14-powerpc64le-linux-gnu ppc64el 14.2.0-8ubuntu1 [20.6 MB] 162s Get:18 http://ftpmaster.internal/ubuntu plucky/main ppc64el gcc-14 ppc64el 14.2.0-8ubuntu1 [528 kB] 162s Get:19 http://ftpmaster.internal/ubuntu plucky/main ppc64el gcc-powerpc64le-linux-gnu ppc64el 4:14.1.0-2ubuntu1 [1222 B] 162s Get:20 http://ftpmaster.internal/ubuntu plucky/main ppc64el gcc ppc64el 4:14.1.0-2ubuntu1 [5006 B] 162s Get:21 http://ftpmaster.internal/ubuntu plucky/main ppc64el libstdc++-14-dev ppc64el 14.2.0-8ubuntu1 [2673 kB] 162s Get:22 http://ftpmaster.internal/ubuntu plucky/main ppc64el g++-14-powerpc64le-linux-gnu ppc64el 14.2.0-8ubuntu1 [12.0 MB] 162s Get:23 http://ftpmaster.internal/ubuntu plucky/main ppc64el g++-14 ppc64el 14.2.0-8ubuntu1 [19.9 kB] 162s Get:24 http://ftpmaster.internal/ubuntu plucky/main ppc64el g++-powerpc64le-linux-gnu ppc64el 4:14.1.0-2ubuntu1 [968 B] 162s Get:25 http://ftpmaster.internal/ubuntu plucky/main ppc64el g++ ppc64el 4:14.1.0-2ubuntu1 [1090 B] 162s Get:26 http://ftpmaster.internal/ubuntu plucky/main ppc64el build-essential ppc64el 12.10ubuntu1 [4936 B] 162s Get:27 http://ftpmaster.internal/ubuntu plucky/main ppc64el fonts-mathjax all 2.7.9+dfsg-1 [2208 kB] 162s Get:28 http://ftpmaster.internal/ubuntu plucky/universe ppc64el libllvm17t64 ppc64el 1:17.0.6-18 [27.0 MB] 163s Get:29 http://ftpmaster.internal/ubuntu plucky/universe ppc64el libamd-comgr2 ppc64el 6.0+git20231212.4510c28+dfsg-3build2 [15.3 MB] 163s Get:30 http://ftpmaster.internal/ubuntu plucky/main ppc64el libdrm-amdgpu1 ppc64el 2.4.123-1 [24.8 kB] 163s Get:31 http://ftpmaster.internal/ubuntu plucky/universe ppc64el libhsakmt1 ppc64el 5.7.0-1build1 [76.4 kB] 163s Get:32 http://ftpmaster.internal/ubuntu plucky/universe ppc64el libhsa-runtime64-1 ppc64el 5.7.1-2build1 [330 kB] 163s Get:33 http://ftpmaster.internal/ubuntu plucky/universe ppc64el libamdhip64-5 ppc64el 5.7.1-5 [9354 kB] 163s Get:34 http://ftpmaster.internal/ubuntu plucky/main ppc64el libblas3 ppc64el 3.12.0-4 [222 kB] 163s Get:35 http://ftpmaster.internal/ubuntu plucky/main ppc64el libevent-pthreads-2.1-7t64 ppc64el 2.1.12-stable-10 [8026 B] 163s Get:36 http://ftpmaster.internal/ubuntu plucky/main ppc64el librdmacm1t64 ppc64el 52.0-2ubuntu1 [80.6 kB] 163s Get:37 http://ftpmaster.internal/ubuntu plucky/universe ppc64el libfabric1 ppc64el 1.17.0-3ubuntu1 [692 kB] 163s Get:38 http://ftpmaster.internal/ubuntu plucky/main ppc64el libfftw3-double3 ppc64el 3.3.10-1ubuntu4 [443 kB] 163s Get:39 http://ftpmaster.internal/ubuntu plucky/main ppc64el libfftw3-long3 ppc64el 3.3.10-1ubuntu4 [708 kB] 163s Get:40 http://ftpmaster.internal/ubuntu plucky/main ppc64el libfftw3-single3 ppc64el 3.3.10-1ubuntu4 [450 kB] 163s Get:41 http://ftpmaster.internal/ubuntu plucky/main ppc64el libfftw3-bin ppc64el 3.3.10-1ubuntu4 [35.0 kB] 164s Get:42 http://ftpmaster.internal/ubuntu plucky/main ppc64el libfftw3-dev ppc64el 3.3.10-1ubuntu4 [1299 kB] 164s Get:43 http://ftpmaster.internal/ubuntu plucky/main ppc64el libgfortran5 ppc64el 14.2.0-8ubuntu1 [571 kB] 164s Get:44 http://ftpmaster.internal/ubuntu plucky/universe ppc64el libhwloc15 ppc64el 2.11.2-1 [220 kB] 164s Get:45 http://ftpmaster.internal/ubuntu plucky/main ppc64el liblapack3 ppc64el 3.12.0-4 [2814 kB] 164s Get:46 http://ftpmaster.internal/ubuntu plucky/universe ppc64el libmuparser2v5 ppc64el 2.3.4-1 [138 kB] 164s Get:47 http://ftpmaster.internal/ubuntu plucky/universe ppc64el libmunge2 ppc64el 0.5.15-4build1 [17.7 kB] 164s Get:48 http://ftpmaster.internal/ubuntu plucky/main ppc64el libpciaccess0 ppc64el 0.17-3build1 [21.4 kB] 164s Get:49 http://ftpmaster.internal/ubuntu plucky/main ppc64el libxnvctrl0 ppc64el 510.47.03-0ubuntu4 [12.6 kB] 164s Get:50 http://ftpmaster.internal/ubuntu plucky/universe ppc64el ocl-icd-libopencl1 ppc64el 2.3.2-1build1 [42.9 kB] 164s Get:51 http://ftpmaster.internal/ubuntu plucky/universe ppc64el libhwloc-plugins ppc64el 2.11.2-1 [17.5 kB] 164s Get:52 http://ftpmaster.internal/ubuntu plucky/universe ppc64el libpmix2t64 ppc64el 5.0.3-2 [768 kB] 164s Get:53 http://ftpmaster.internal/ubuntu plucky/main ppc64el libibumad3 ppc64el 52.0-2ubuntu1 [31.1 kB] 164s Get:54 http://ftpmaster.internal/ubuntu plucky/main ppc64el libibmad5 ppc64el 52.0-2ubuntu1 [45.5 kB] 164s Get:55 http://ftpmaster.internal/ubuntu plucky/universe ppc64el libucx0 ppc64el 1.17.0+ds-3build1 [1224 kB] 164s Get:56 http://ftpmaster.internal/ubuntu plucky-proposed/universe ppc64el libopenmpi3t64 ppc64el 5.0.5-6 [2247 kB] 164s Get:57 http://ftpmaster.internal/ubuntu plucky/universe ppc64el libgromacs9 ppc64el 2024.2-1 [31.7 MB] 165s Get:58 http://ftpmaster.internal/ubuntu plucky/universe ppc64el libnblib-gmx0 ppc64el 2024.2-1 [339 kB] 165s Get:59 http://ftpmaster.internal/ubuntu plucky/universe ppc64el libnblib-gmx-dev ppc64el 2024.2-1 [26.2 kB] 165s Get:60 http://ftpmaster.internal/ubuntu plucky-proposed/universe ppc64el openmpi-common all 5.0.5-6 [95.6 kB] 165s Get:61 http://ftpmaster.internal/ubuntu plucky-proposed/universe ppc64el openmpi-bin ppc64el 5.0.5-6 [186 kB] 165s Get:62 http://ftpmaster.internal/ubuntu plucky/main ppc64el libjs-mathjax all 2.7.9+dfsg-1 [5665 kB] 165s Get:63 http://ftpmaster.internal/ubuntu plucky/universe ppc64el gromacs-data all 2024.2-1 [41.0 MB] 166s Get:64 http://ftpmaster.internal/ubuntu plucky/universe ppc64el gromacs ppc64el 2024.2-1 [59.8 kB] 166s Get:65 http://ftpmaster.internal/ubuntu plucky/universe ppc64el libgromacs-dev ppc64el 2024.2-1 [168 kB] 166s Get:66 http://ftpmaster.internal/ubuntu plucky/universe ppc64el mpi-default-bin ppc64el 1.17 [2296 B] 167s Fetched 203 MB in 7s (31.2 MB/s) 167s Selecting previously unselected package libisl23:ppc64el. 167s (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 ... 73877 files and directories currently installed.) 167s Preparing to unpack .../00-libisl23_0.27-1_ppc64el.deb ... 167s Unpacking libisl23:ppc64el (0.27-1) ... 167s Selecting previously unselected package libmpc3:ppc64el. 167s Preparing to unpack .../01-libmpc3_1.3.1-1build2_ppc64el.deb ... 167s Unpacking libmpc3:ppc64el (1.3.1-1build2) ... 167s Selecting previously unselected package cpp-14-powerpc64le-linux-gnu. 167s Preparing to unpack .../02-cpp-14-powerpc64le-linux-gnu_14.2.0-8ubuntu1_ppc64el.deb ... 167s Unpacking cpp-14-powerpc64le-linux-gnu (14.2.0-8ubuntu1) ... 167s Selecting previously unselected package cpp-14. 167s Preparing to unpack .../03-cpp-14_14.2.0-8ubuntu1_ppc64el.deb ... 167s Unpacking cpp-14 (14.2.0-8ubuntu1) ... 167s Selecting previously unselected package cpp-powerpc64le-linux-gnu. 167s Preparing to unpack .../04-cpp-powerpc64le-linux-gnu_4%3a14.1.0-2ubuntu1_ppc64el.deb ... 167s Unpacking cpp-powerpc64le-linux-gnu (4:14.1.0-2ubuntu1) ... 167s Selecting previously unselected package cpp. 167s Preparing to unpack .../05-cpp_4%3a14.1.0-2ubuntu1_ppc64el.deb ... 167s Unpacking cpp (4:14.1.0-2ubuntu1) ... 167s Selecting previously unselected package libcc1-0:ppc64el. 167s Preparing to unpack .../06-libcc1-0_14.2.0-8ubuntu1_ppc64el.deb ... 167s Unpacking libcc1-0:ppc64el (14.2.0-8ubuntu1) ... 167s Selecting previously unselected package libgomp1:ppc64el. 167s Preparing to unpack .../07-libgomp1_14.2.0-8ubuntu1_ppc64el.deb ... 167s Unpacking libgomp1:ppc64el (14.2.0-8ubuntu1) ... 167s Selecting previously unselected package libitm1:ppc64el. 167s Preparing to unpack .../08-libitm1_14.2.0-8ubuntu1_ppc64el.deb ... 167s Unpacking libitm1:ppc64el (14.2.0-8ubuntu1) ... 167s Selecting previously unselected package libasan8:ppc64el. 167s Preparing to unpack .../09-libasan8_14.2.0-8ubuntu1_ppc64el.deb ... 167s Unpacking libasan8:ppc64el (14.2.0-8ubuntu1) ... 167s Selecting previously unselected package liblsan0:ppc64el. 167s Preparing to unpack .../10-liblsan0_14.2.0-8ubuntu1_ppc64el.deb ... 167s Unpacking liblsan0:ppc64el (14.2.0-8ubuntu1) ... 167s Selecting previously unselected package libtsan2:ppc64el. 167s Preparing to unpack .../11-libtsan2_14.2.0-8ubuntu1_ppc64el.deb ... 167s Unpacking libtsan2:ppc64el (14.2.0-8ubuntu1) ... 168s Selecting previously unselected package libubsan1:ppc64el. 168s Preparing to unpack .../12-libubsan1_14.2.0-8ubuntu1_ppc64el.deb ... 168s Unpacking libubsan1:ppc64el (14.2.0-8ubuntu1) ... 168s Selecting previously unselected package libquadmath0:ppc64el. 168s Preparing to unpack .../13-libquadmath0_14.2.0-8ubuntu1_ppc64el.deb ... 168s Unpacking libquadmath0:ppc64el (14.2.0-8ubuntu1) ... 168s Selecting previously unselected package libgcc-14-dev:ppc64el. 168s Preparing to unpack .../14-libgcc-14-dev_14.2.0-8ubuntu1_ppc64el.deb ... 168s Unpacking libgcc-14-dev:ppc64el (14.2.0-8ubuntu1) ... 168s Selecting previously unselected package gcc-14-powerpc64le-linux-gnu. 168s Preparing to unpack .../15-gcc-14-powerpc64le-linux-gnu_14.2.0-8ubuntu1_ppc64el.deb ... 168s Unpacking gcc-14-powerpc64le-linux-gnu (14.2.0-8ubuntu1) ... 168s Selecting previously unselected package gcc-14. 168s Preparing to unpack .../16-gcc-14_14.2.0-8ubuntu1_ppc64el.deb ... 168s Unpacking gcc-14 (14.2.0-8ubuntu1) ... 168s Selecting previously unselected package gcc-powerpc64le-linux-gnu. 168s Preparing to unpack .../17-gcc-powerpc64le-linux-gnu_4%3a14.1.0-2ubuntu1_ppc64el.deb ... 168s Unpacking gcc-powerpc64le-linux-gnu (4:14.1.0-2ubuntu1) ... 168s Selecting previously unselected package gcc. 168s Preparing to unpack .../18-gcc_4%3a14.1.0-2ubuntu1_ppc64el.deb ... 168s Unpacking gcc (4:14.1.0-2ubuntu1) ... 168s Selecting previously unselected package libstdc++-14-dev:ppc64el. 168s Preparing to unpack .../19-libstdc++-14-dev_14.2.0-8ubuntu1_ppc64el.deb ... 168s Unpacking libstdc++-14-dev:ppc64el (14.2.0-8ubuntu1) ... 168s Selecting previously unselected package g++-14-powerpc64le-linux-gnu. 168s Preparing to unpack .../20-g++-14-powerpc64le-linux-gnu_14.2.0-8ubuntu1_ppc64el.deb ... 168s Unpacking g++-14-powerpc64le-linux-gnu (14.2.0-8ubuntu1) ... 168s Selecting previously unselected package g++-14. 168s Preparing to unpack .../21-g++-14_14.2.0-8ubuntu1_ppc64el.deb ... 168s Unpacking g++-14 (14.2.0-8ubuntu1) ... 168s Selecting previously unselected package g++-powerpc64le-linux-gnu. 168s Preparing to unpack .../22-g++-powerpc64le-linux-gnu_4%3a14.1.0-2ubuntu1_ppc64el.deb ... 168s Unpacking g++-powerpc64le-linux-gnu (4:14.1.0-2ubuntu1) ... 168s Selecting previously unselected package g++. 168s Preparing to unpack .../23-g++_4%3a14.1.0-2ubuntu1_ppc64el.deb ... 168s Unpacking g++ (4:14.1.0-2ubuntu1) ... 168s Selecting previously unselected package build-essential. 168s Preparing to unpack .../24-build-essential_12.10ubuntu1_ppc64el.deb ... 168s Unpacking build-essential (12.10ubuntu1) ... 168s Selecting previously unselected package fonts-mathjax. 168s Preparing to unpack .../25-fonts-mathjax_2.7.9+dfsg-1_all.deb ... 168s Unpacking fonts-mathjax (2.7.9+dfsg-1) ... 169s Selecting previously unselected package libllvm17t64:ppc64el. 169s Preparing to unpack .../26-libllvm17t64_1%3a17.0.6-18_ppc64el.deb ... 169s Unpacking libllvm17t64:ppc64el (1:17.0.6-18) ... 169s Selecting previously unselected package libamd-comgr2:ppc64el. 169s Preparing to unpack .../27-libamd-comgr2_6.0+git20231212.4510c28+dfsg-3build2_ppc64el.deb ... 169s Unpacking libamd-comgr2:ppc64el (6.0+git20231212.4510c28+dfsg-3build2) ... 170s Selecting previously unselected package libdrm-amdgpu1:ppc64el. 170s Preparing to unpack .../28-libdrm-amdgpu1_2.4.123-1_ppc64el.deb ... 170s Unpacking libdrm-amdgpu1:ppc64el (2.4.123-1) ... 170s Selecting previously unselected package libhsakmt1:ppc64el. 170s Preparing to unpack .../29-libhsakmt1_5.7.0-1build1_ppc64el.deb ... 170s Unpacking libhsakmt1:ppc64el (5.7.0-1build1) ... 170s Selecting previously unselected package libhsa-runtime64-1. 170s Preparing to unpack .../30-libhsa-runtime64-1_5.7.1-2build1_ppc64el.deb ... 170s Unpacking libhsa-runtime64-1 (5.7.1-2build1) ... 170s Selecting previously unselected package libamdhip64-5. 170s Preparing to unpack .../31-libamdhip64-5_5.7.1-5_ppc64el.deb ... 170s Unpacking libamdhip64-5 (5.7.1-5) ... 170s Selecting previously unselected package libblas3:ppc64el. 170s Preparing to unpack .../32-libblas3_3.12.0-4_ppc64el.deb ... 170s Unpacking libblas3:ppc64el (3.12.0-4) ... 170s Selecting previously unselected package libevent-pthreads-2.1-7t64:ppc64el. 170s Preparing to unpack .../33-libevent-pthreads-2.1-7t64_2.1.12-stable-10_ppc64el.deb ... 170s Unpacking libevent-pthreads-2.1-7t64:ppc64el (2.1.12-stable-10) ... 170s Selecting previously unselected package librdmacm1t64:ppc64el. 170s Preparing to unpack .../34-librdmacm1t64_52.0-2ubuntu1_ppc64el.deb ... 170s Unpacking librdmacm1t64:ppc64el (52.0-2ubuntu1) ... 170s Selecting previously unselected package libfabric1:ppc64el. 170s Preparing to unpack .../35-libfabric1_1.17.0-3ubuntu1_ppc64el.deb ... 170s Unpacking libfabric1:ppc64el (1.17.0-3ubuntu1) ... 170s Selecting previously unselected package libfftw3-double3:ppc64el. 170s Preparing to unpack .../36-libfftw3-double3_3.3.10-1ubuntu4_ppc64el.deb ... 170s Unpacking libfftw3-double3:ppc64el (3.3.10-1ubuntu4) ... 170s Selecting previously unselected package libfftw3-long3:ppc64el. 170s Preparing to unpack .../37-libfftw3-long3_3.3.10-1ubuntu4_ppc64el.deb ... 170s Unpacking libfftw3-long3:ppc64el (3.3.10-1ubuntu4) ... 170s Selecting previously unselected package libfftw3-single3:ppc64el. 170s Preparing to unpack .../38-libfftw3-single3_3.3.10-1ubuntu4_ppc64el.deb ... 170s Unpacking libfftw3-single3:ppc64el (3.3.10-1ubuntu4) ... 170s Selecting previously unselected package libfftw3-bin. 170s Preparing to unpack .../39-libfftw3-bin_3.3.10-1ubuntu4_ppc64el.deb ... 170s Unpacking libfftw3-bin (3.3.10-1ubuntu4) ... 170s Selecting previously unselected package libfftw3-dev:ppc64el. 170s Preparing to unpack .../40-libfftw3-dev_3.3.10-1ubuntu4_ppc64el.deb ... 170s Unpacking libfftw3-dev:ppc64el (3.3.10-1ubuntu4) ... 170s Selecting previously unselected package libgfortran5:ppc64el. 170s Preparing to unpack .../41-libgfortran5_14.2.0-8ubuntu1_ppc64el.deb ... 170s Unpacking libgfortran5:ppc64el (14.2.0-8ubuntu1) ... 170s Selecting previously unselected package libhwloc15:ppc64el. 170s Preparing to unpack .../42-libhwloc15_2.11.2-1_ppc64el.deb ... 170s Unpacking libhwloc15:ppc64el (2.11.2-1) ... 170s Selecting previously unselected package liblapack3:ppc64el. 170s Preparing to unpack .../43-liblapack3_3.12.0-4_ppc64el.deb ... 170s Unpacking liblapack3:ppc64el (3.12.0-4) ... 170s Selecting previously unselected package libmuparser2v5:ppc64el. 170s Preparing to unpack .../44-libmuparser2v5_2.3.4-1_ppc64el.deb ... 170s Unpacking libmuparser2v5:ppc64el (2.3.4-1) ... 170s Selecting previously unselected package libmunge2:ppc64el. 170s Preparing to unpack .../45-libmunge2_0.5.15-4build1_ppc64el.deb ... 170s Unpacking libmunge2:ppc64el (0.5.15-4build1) ... 170s Selecting previously unselected package libpciaccess0:ppc64el. 170s Preparing to unpack .../46-libpciaccess0_0.17-3build1_ppc64el.deb ... 170s Unpacking libpciaccess0:ppc64el (0.17-3build1) ... 170s Selecting previously unselected package libxnvctrl0:ppc64el. 170s Preparing to unpack .../47-libxnvctrl0_510.47.03-0ubuntu4_ppc64el.deb ... 170s Unpacking libxnvctrl0:ppc64el (510.47.03-0ubuntu4) ... 170s Selecting previously unselected package ocl-icd-libopencl1:ppc64el. 170s Preparing to unpack .../48-ocl-icd-libopencl1_2.3.2-1build1_ppc64el.deb ... 170s Unpacking ocl-icd-libopencl1:ppc64el (2.3.2-1build1) ... 170s Selecting previously unselected package libhwloc-plugins:ppc64el. 170s Preparing to unpack .../49-libhwloc-plugins_2.11.2-1_ppc64el.deb ... 170s Unpacking libhwloc-plugins:ppc64el (2.11.2-1) ... 170s Selecting previously unselected package libpmix2t64:ppc64el. 170s Preparing to unpack .../50-libpmix2t64_5.0.3-2_ppc64el.deb ... 170s Unpacking libpmix2t64:ppc64el (5.0.3-2) ... 170s Selecting previously unselected package libibumad3:ppc64el. 170s Preparing to unpack .../51-libibumad3_52.0-2ubuntu1_ppc64el.deb ... 170s Unpacking libibumad3:ppc64el (52.0-2ubuntu1) ... 170s Selecting previously unselected package libibmad5:ppc64el. 170s Preparing to unpack .../52-libibmad5_52.0-2ubuntu1_ppc64el.deb ... 170s Unpacking libibmad5:ppc64el (52.0-2ubuntu1) ... 170s Selecting previously unselected package libucx0:ppc64el. 170s Preparing to unpack .../53-libucx0_1.17.0+ds-3build1_ppc64el.deb ... 170s Unpacking libucx0:ppc64el (1.17.0+ds-3build1) ... 170s Selecting previously unselected package libopenmpi3t64:ppc64el. 170s Preparing to unpack .../54-libopenmpi3t64_5.0.5-6_ppc64el.deb ... 170s Unpacking libopenmpi3t64:ppc64el (5.0.5-6) ... 170s Selecting previously unselected package libgromacs9:ppc64el. 170s Preparing to unpack .../55-libgromacs9_2024.2-1_ppc64el.deb ... 170s Unpacking libgromacs9:ppc64el (2024.2-1) ... 171s Selecting previously unselected package libnblib-gmx0:ppc64el. 171s Preparing to unpack .../56-libnblib-gmx0_2024.2-1_ppc64el.deb ... 171s Unpacking libnblib-gmx0:ppc64el (2024.2-1) ... 171s Selecting previously unselected package libnblib-gmx-dev. 171s Preparing to unpack .../57-libnblib-gmx-dev_2024.2-1_ppc64el.deb ... 171s Unpacking libnblib-gmx-dev (2024.2-1) ... 171s Selecting previously unselected package openmpi-common. 171s Preparing to unpack .../58-openmpi-common_5.0.5-6_all.deb ... 171s Unpacking openmpi-common (5.0.5-6) ... 171s Selecting previously unselected package openmpi-bin. 171s Preparing to unpack .../59-openmpi-bin_5.0.5-6_ppc64el.deb ... 171s Unpacking openmpi-bin (5.0.5-6) ... 171s Selecting previously unselected package libjs-mathjax. 171s Preparing to unpack .../60-libjs-mathjax_2.7.9+dfsg-1_all.deb ... 171s Unpacking libjs-mathjax (2.7.9+dfsg-1) ... 171s Selecting previously unselected package gromacs-data. 171s Preparing to unpack .../61-gromacs-data_2024.2-1_all.deb ... 171s Unpacking gromacs-data (2024.2-1) ... 175s Selecting previously unselected package gromacs. 175s Preparing to unpack .../62-gromacs_2024.2-1_ppc64el.deb ... 175s Unpacking gromacs (2024.2-1) ... 175s Selecting previously unselected package libgromacs-dev. 175s Preparing to unpack .../63-libgromacs-dev_2024.2-1_ppc64el.deb ... 175s Unpacking libgromacs-dev (2024.2-1) ... 175s Selecting previously unselected package mpi-default-bin. 175s Preparing to unpack .../64-mpi-default-bin_1.17_ppc64el.deb ... 175s Unpacking mpi-default-bin (1.17) ... 175s Selecting previously unselected package autopkgtest-satdep. 175s Preparing to unpack .../65-1-autopkgtest-satdep.deb ... 175s Unpacking autopkgtest-satdep (0) ... 175s Setting up libpciaccess0:ppc64el (0.17-3build1) ... 175s Setting up fonts-mathjax (2.7.9+dfsg-1) ... 175s Setting up libjs-mathjax (2.7.9+dfsg-1) ... 175s Setting up libevent-pthreads-2.1-7t64:ppc64el (2.1.12-stable-10) ... 175s Setting up libibumad3:ppc64el (52.0-2ubuntu1) ... 175s Setting up libibmad5:ppc64el (52.0-2ubuntu1) ... 175s Setting up libgomp1:ppc64el (14.2.0-8ubuntu1) ... 175s Setting up libxnvctrl0:ppc64el (510.47.03-0ubuntu4) ... 175s Setting up libblas3:ppc64el (3.12.0-4) ... 175s update-alternatives: using /usr/lib/powerpc64le-linux-gnu/blas/libblas.so.3 to provide /usr/lib/powerpc64le-linux-gnu/libblas.so.3 (libblas.so.3-powerpc64le-linux-gnu) in auto mode 175s Setting up libmunge2:ppc64el (0.5.15-4build1) ... 175s Setting up libllvm17t64:ppc64el (1:17.0.6-18) ... 175s Setting up libquadmath0:ppc64el (14.2.0-8ubuntu1) ... 175s Setting up libhwloc15:ppc64el (2.11.2-1) ... 175s Setting up libmpc3:ppc64el (1.3.1-1build2) ... 175s Setting up libfftw3-double3:ppc64el (3.3.10-1ubuntu4) ... 175s Setting up libgfortran5:ppc64el (14.2.0-8ubuntu1) ... 175s Setting up libubsan1:ppc64el (14.2.0-8ubuntu1) ... 175s Setting up ocl-icd-libopencl1:ppc64el (2.3.2-1build1) ... 175s Setting up libasan8:ppc64el (14.2.0-8ubuntu1) ... 175s Setting up openmpi-common (5.0.5-6) ... 175s Setting up librdmacm1t64:ppc64el (52.0-2ubuntu1) ... 175s Setting up libamd-comgr2:ppc64el (6.0+git20231212.4510c28+dfsg-3build2) ... 175s Setting up libmuparser2v5:ppc64el (2.3.4-1) ... 175s Setting up libtsan2:ppc64el (14.2.0-8ubuntu1) ... 175s Setting up libisl23:ppc64el (0.27-1) ... 175s Setting up libcc1-0:ppc64el (14.2.0-8ubuntu1) ... 175s Setting up liblsan0:ppc64el (14.2.0-8ubuntu1) ... 175s Setting up libitm1:ppc64el (14.2.0-8ubuntu1) ... 175s Setting up libdrm-amdgpu1:ppc64el (2.4.123-1) ... 175s Setting up libfabric1:ppc64el (1.17.0-3ubuntu1) ... 175s Setting up gromacs-data (2024.2-1) ... 175s Setting up liblapack3:ppc64el (3.12.0-4) ... 175s update-alternatives: using /usr/lib/powerpc64le-linux-gnu/lapack/liblapack.so.3 to provide /usr/lib/powerpc64le-linux-gnu/liblapack.so.3 (liblapack.so.3-powerpc64le-linux-gnu) in auto mode 175s Setting up libfftw3-single3:ppc64el (3.3.10-1ubuntu4) ... 175s Setting up libfftw3-long3:ppc64el (3.3.10-1ubuntu4) ... 175s Setting up libhwloc-plugins:ppc64el (2.11.2-1) ... 175s Setting up libpmix2t64:ppc64el (5.0.3-2) ... 175s Setting up cpp-14-powerpc64le-linux-gnu (14.2.0-8ubuntu1) ... 175s Setting up cpp-14 (14.2.0-8ubuntu1) ... 175s Setting up libgcc-14-dev:ppc64el (14.2.0-8ubuntu1) ... 175s Setting up libstdc++-14-dev:ppc64el (14.2.0-8ubuntu1) ... 175s Setting up libhsakmt1:ppc64el (5.7.0-1build1) ... 175s Setting up cpp-powerpc64le-linux-gnu (4:14.1.0-2ubuntu1) ... 175s Setting up gcc-14-powerpc64le-linux-gnu (14.2.0-8ubuntu1) ... 175s Setting up g++-14-powerpc64le-linux-gnu (14.2.0-8ubuntu1) ... 175s Setting up libfftw3-bin (3.3.10-1ubuntu4) ... 175s Setting up gcc-14 (14.2.0-8ubuntu1) ... 175s Setting up gcc-powerpc64le-linux-gnu (4:14.1.0-2ubuntu1) ... 175s Setting up libhsa-runtime64-1 (5.7.1-2build1) ... 175s Setting up cpp (4:14.1.0-2ubuntu1) ... 175s Setting up g++-14 (14.2.0-8ubuntu1) ... 175s Setting up libfftw3-dev:ppc64el (3.3.10-1ubuntu4) ... 175s Setting up g++-powerpc64le-linux-gnu (4:14.1.0-2ubuntu1) ... 175s Setting up gcc (4:14.1.0-2ubuntu1) ... 175s Setting up libamdhip64-5 (5.7.1-5) ... 175s Setting up g++ (4:14.1.0-2ubuntu1) ... 175s update-alternatives: using /usr/bin/g++ to provide /usr/bin/c++ (c++) in auto mode 175s Setting up build-essential (12.10ubuntu1) ... 175s Setting up libucx0:ppc64el (1.17.0+ds-3build1) ... 175s Setting up libopenmpi3t64:ppc64el (5.0.5-6) ... 175s Setting up openmpi-bin (5.0.5-6) ... 175s update-alternatives: using /usr/bin/mpirun.openmpi to provide /usr/bin/mpirun (mpirun) in auto mode 175s update-alternatives: warning: skip creation of /usr/share/man/man1/mpiexec.1.gz because associated file /usr/share/man/man1/mpiexec.openmpi.1.gz (of link group mpirun) doesn't exist 175s update-alternatives: using /usr/bin/mpicc.openmpi to provide /usr/bin/mpicc (mpi) in auto mode 175s Setting up libgromacs9:ppc64el (2024.2-1) ... 175s Setting up mpi-default-bin (1.17) ... 175s Setting up gromacs (2024.2-1) ... 175s Setting up libgromacs-dev (2024.2-1) ... 175s Setting up libnblib-gmx0:ppc64el (2024.2-1) ... 175s Setting up libnblib-gmx-dev (2024.2-1) ... 175s Setting up autopkgtest-satdep (0) ... 175s Processing triggers for man-db (2.13.0-1) ... 176s Processing triggers for libc-bin (2.40-1ubuntu3) ... 180s (Reading database ... 104227 files and directories currently installed.) 180s Removing autopkgtest-satdep (0) ... 180s autopkgtest [22:25:59]: test gromacs-regressiontests: [----------------------- 181s ======================================================== 181s Starting regression tests: basic build, single precision 181s ======================================================== 181s Testing acetonitrilRF . . . gmx grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/acetonitrilRF/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/acetonitrilRF/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/acetonitrilRF/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/acetonitrilRF/topol -maxwarn 10 >grompp.out 2>grompp.err 181s gmx check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/acetonitrilRF/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 181s gmx mdrun -nb cpu -notunepme >mdrun.out 2>&1 181s gmx check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/acetonitrilRF/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 181s gmx check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/acetonitrilRF/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 181s PASSED but check mdp file differences 181s Testing aminoacids . . . gmx grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/aminoacids/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/aminoacids/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/aminoacids/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/aminoacids/topol -maxwarn 10 >grompp.out 2>grompp.err 181s gmx check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/aminoacids/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 181s gmx mdrun -notunepme >mdrun.out 2>&1 182s gmx check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/aminoacids/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 182s gmx check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/aminoacids/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 182s PASSED but check mdp file differences 182s Testing argon . . . gmx grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/argon/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/argon/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/argon/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/argon/topol -maxwarn 10 >grompp.out 2>grompp.err 182s gmx check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/argon/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 182s gmx mdrun -nb cpu -notunepme >mdrun.out 2>&1 182s gmx check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/argon/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 182s gmx check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/argon/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 182s PASSED but check mdp file differences 182s Testing awh_multibias . . . gmx grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/awh_multibias/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/awh_multibias/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/awh_multibias/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/awh_multibias/topol -maxwarn 10 -n /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/awh_multibias/index >grompp.out 2>grompp.err 182s gmx check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/awh_multibias/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 182s gmx mdrun -notunepme -cpi /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/awh_multibias/continue -noappend >mdrun.out 2>&1 182s gmx check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/awh_multibias/reference_s.edr -e2 ener.part0002.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 182s gmx check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/awh_multibias/reference_s.trr -f2 traj.part0002.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 182s PASSED but check mdp file differences 182s Testing awh_multidim . . . gmx grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/awh_multidim/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/awh_multidim/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/awh_multidim/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/awh_multidim/topol -maxwarn 10 -n /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/awh_multidim/index >grompp.out 2>grompp.err 182s gmx check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/awh_multidim/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 182s gmx mdrun -notunepme >mdrun.out 2>&1 182s gmx check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/awh_multidim/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 182s gmx check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/awh_multidim/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 182s PASSED but check mdp file differences 182s Testing butane . . . gmx grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/butane/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/butane/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/butane/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/butane/topol -maxwarn 10 >grompp.out 2>grompp.err 182s gmx check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/butane/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 182s gmx mdrun -notunepme >mdrun.out 2>&1 182s gmx check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/butane/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 182s gmx check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/butane/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 182s PASSED but check mdp file differences 182s Testing cbt . . . gmx grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/cbt/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/cbt/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/cbt/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/cbt/topol -maxwarn 10 >grompp.out 2>grompp.err 182s gmx check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/cbt/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 182s gmx mdrun -nb cpu -notunepme >mdrun.out 2>&1 182s gmx check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/cbt/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 182s gmx check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/cbt/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 182s PASSED but check mdp file differences 182s Testing dd121 . . . gmx grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/dd121/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/dd121/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/dd121/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/dd121/topol -maxwarn 10 >grompp.out 2>grompp.err 182s gmx check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/dd121/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 182s gmx mdrun -ntmpi 12 -notunepme >mdrun.out 2>&1 213s gmx check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/dd121/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 213s gmx check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/dd121/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 213s PASSED but check mdp file differences 213s Testing dec+water . . . gmx grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/dec+water/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/dec+water/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/dec+water/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/dec+water/topol -maxwarn 10 >grompp.out 2>grompp.err 213s gmx check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/dec+water/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 213s gmx mdrun -nb cpu -notunepme >mdrun.out 2>&1 213s gmx check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/dec+water/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 213s gmx check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/dec+water/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 213s PASSED but check mdp file differences 213s Testing distance_restraints . . . gmx grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/distance_restraints/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/distance_restraints/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/distance_restraints/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/distance_restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 213s gmx check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/distance_restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 213s gmx mdrun -ntmpi 1 -notunepme >mdrun.out 2>&1 213s gmx check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/distance_restraints/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 213s gmx check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/distance_restraints/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 213s PASSED but check mdp file differences 213s Testing ethyleenglycol . . . gmx grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/ethyleenglycol/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/ethyleenglycol/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/ethyleenglycol/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/ethyleenglycol/topol -maxwarn 10 >grompp.out 2>grompp.err 214s gmx check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/ethyleenglycol/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 214s gmx mdrun -notunepme >mdrun.out 2>&1 214s gmx check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/ethyleenglycol/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 214s gmx check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/ethyleenglycol/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 214s PASSED but check mdp file differences 214s Testing field . . . gmx grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/field/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/field/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/field/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/field/topol -maxwarn 10 >grompp.out 2>grompp.err 214s gmx check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/field/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 214s gmx mdrun -notunepme >mdrun.out 2>&1 214s gmx check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/field/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 214s gmx check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/field/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 214s PASSED but check mdp file differences 214s Testing nacl . . . gmx grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nacl/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nacl/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nacl/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nacl/topol -maxwarn 10 >grompp.out 2>grompp.err 214s gmx check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nacl/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 214s gmx mdrun -notunepme >mdrun.out 2>&1 214s gmx check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nacl/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 214s gmx check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nacl/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 214s PASSED but check mdp file differences 214s Testing nbnxn-energy-groups . . . gmx grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-energy-groups/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-energy-groups/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-energy-groups/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-energy-groups/topol -maxwarn 10 >grompp.out 2>grompp.err 214s gmx check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-energy-groups/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 214s gmx mdrun -nb cpu -notunepme >mdrun.out 2>&1 214s gmx check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-energy-groups/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 214s gmx check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-energy-groups/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 214s PASSED but check mdp file differences 214s Testing nbnxn-free-energy . . . gmx grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-free-energy/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-free-energy/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-free-energy/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-free-energy/topol -maxwarn 10 >grompp.out 2>grompp.err 214s gmx check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-free-energy/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 215s gmx mdrun -notunepme >mdrun.out 2>&1 215s gmx check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-free-energy/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 215s gmx check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-free-energy/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 215s PASSED but check mdp file differences 215s Testing nbnxn-free-energy-vv . . . gmx grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-free-energy-vv/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-free-energy-vv/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-free-energy-vv/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-free-energy-vv/topol -maxwarn 10 >grompp.out 2>grompp.err 215s gmx check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-free-energy-vv/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 215s gmx mdrun -notunepme >mdrun.out 2>&1 215s gmx check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-free-energy-vv/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 215s gmx check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-free-energy-vv/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 215s PASSED but check mdp file differences 215s Testing nbnxn-ljpme-geometric . . . gmx grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-ljpme-geometric/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-ljpme-geometric/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-ljpme-geometric/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-ljpme-geometric/topol -maxwarn 10 >grompp.out 2>grompp.err 215s gmx check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-ljpme-geometric/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 215s gmx mdrun -notunepme >mdrun.out 2>&1 215s gmx check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-ljpme-geometric/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 215s gmx check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-ljpme-geometric/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 215s PASSED but check mdp file differences 215s Testing nbnxn-ljpme-LB . . . gmx grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-ljpme-LB/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-ljpme-LB/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-ljpme-LB/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-ljpme-LB/topol -maxwarn 10 >grompp.out 2>grompp.err 215s gmx check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-ljpme-LB/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 215s gmx mdrun -notunepme >mdrun.out 2>&1 216s gmx check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-ljpme-LB/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 216s gmx check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-ljpme-LB/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 216s PASSED but check mdp file differences 216s Testing nbnxn-ljpme-LB-geometric . . . gmx grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/topol -maxwarn 10 >grompp.out 2>grompp.err 216s gmx check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 216s gmx mdrun -notunepme >mdrun.out 2>&1 216s gmx check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 216s gmx check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 216s PASSED but check mdp file differences 216s Testing nbnxn-vdw-force-switch . . . gmx grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-vdw-force-switch/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-vdw-force-switch/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-vdw-force-switch/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-vdw-force-switch/topol -maxwarn 10 >grompp.out 2>grompp.err 217s gmx check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-vdw-force-switch/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 217s gmx mdrun -notunepme >mdrun.out 2>&1 217s gmx check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-vdw-force-switch/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 217s gmx check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-vdw-force-switch/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 217s PASSED but check mdp file differences 217s Testing nbnxn-vdw-potential-switch . . . gmx grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-vdw-potential-switch/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-vdw-potential-switch/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-vdw-potential-switch/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-vdw-potential-switch/topol -maxwarn 10 >grompp.out 2>grompp.err 217s gmx check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-vdw-potential-switch/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 217s gmx mdrun -notunepme >mdrun.out 2>&1 217s gmx check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-vdw-potential-switch/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 217s gmx check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-vdw-potential-switch/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 217s PASSED but check mdp file differences 217s Testing nbnxn-vdw-potential-switch-argon . . . gmx grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/topol -maxwarn 10 >grompp.out 2>grompp.err 217s gmx check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 217s gmx mdrun -notunepme >mdrun.out 2>&1 217s gmx check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 217s gmx check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 217s PASSED but check mdp file differences 217s Testing nbnxn_pme . . . gmx grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_pme/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_pme/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_pme/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_pme/topol -maxwarn 10 >grompp.out 2>grompp.err 217s gmx check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_pme/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 217s gmx mdrun -notunepme >mdrun.out 2>&1 217s gmx check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_pme/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 217s gmx check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_pme/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 217s PASSED but check mdp file differences 217s Testing nbnxn_pme_order5 . . . gmx grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_pme_order5/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_pme_order5/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_pme_order5/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_pme_order5/topol -maxwarn 10 >grompp.out 2>grompp.err 218s gmx check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_pme_order5/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 218s gmx mdrun -notunepme >mdrun.out 2>&1 218s gmx check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_pme_order5/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 218s gmx check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_pme_order5/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 218s PASSED but check mdp file differences 218s Testing nbnxn_pme_order6 . . . gmx grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_pme_order6/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_pme_order6/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_pme_order6/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_pme_order6/topol -maxwarn 10 >grompp.out 2>grompp.err 218s gmx check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_pme_order6/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 218s gmx mdrun -notunepme >mdrun.out 2>&1 218s gmx check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_pme_order6/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 218s gmx check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_pme_order6/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 218s PASSED but check mdp file differences 218s Testing nbnxn_rf . . . gmx grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_rf/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_rf/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_rf/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_rf/topol -maxwarn 10 >grompp.out 2>grompp.err 218s gmx check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_rf/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 218s gmx mdrun -notunepme >mdrun.out 2>&1 218s gmx check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_rf/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 218s gmx check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_rf/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 218s PASSED but check mdp file differences 218s Testing nbnxn_rzero . . . gmx grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_rzero/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_rzero/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_rzero/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_rzero/topol -maxwarn 10 >grompp.out 2>grompp.err 218s gmx check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_rzero/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 218s gmx mdrun -notunepme >mdrun.out 2>&1 218s gmx check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_rzero/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 218s gmx check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_rzero/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 218s PASSED but check mdp file differences 218s Testing nbnxn_vsite . . . gmx grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_vsite/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_vsite/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_vsite/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_vsite/topol -maxwarn 10 >grompp.out 2>grompp.err 218s gmx check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_vsite/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 218s gmx mdrun -ntmpi 6 -notunepme >mdrun.out 2>&1 230s gmx check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_vsite/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 230s gmx check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_vsite/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 230s PASSED but check mdp file differences 230s Testing nst_mismatch . . . gmx grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nst_mismatch/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nst_mismatch/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nst_mismatch/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nst_mismatch/topol -maxwarn 10 >grompp.out 2>grompp.err 230s gmx check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nst_mismatch/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 230s gmx mdrun -notunepme >mdrun.out 2>&1 230s gmx check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nst_mismatch/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 230s gmx check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nst_mismatch/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 230s PASSED but check mdp file differences 230s Testing octahedron . . . gmx grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/octahedron/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/octahedron/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/octahedron/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/octahedron/topol -maxwarn 10 >grompp.out 2>grompp.err 230s gmx check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/octahedron/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 230s gmx mdrun -notunepme >mdrun.out 2>&1 231s gmx check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/octahedron/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 231s gmx check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/octahedron/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 231s PASSED but check mdp file differences 231s Testing orientation-restraints . . . gmx grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/orientation-restraints/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/orientation-restraints/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/orientation-restraints/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/orientation-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 231s gmx check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/orientation-restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 231s gmx mdrun -ntmpi 1 -notunepme >mdrun.out 2>&1 236s gmx check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/orientation-restraints/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 236s gmx check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/orientation-restraints/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 236s PASSED but check mdp file differences 236s Testing position-restraints . . . gmx grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/position-restraints/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/position-restraints/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/position-restraints/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/position-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 237s gmx check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/position-restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 237s gmx mdrun -notunepme >mdrun.out 2>&1 237s gmx check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/position-restraints/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 237s gmx check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/position-restraints/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 237s PASSED but check mdp file differences 237s Testing pr-vrescale . . . gmx grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pr-vrescale/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pr-vrescale/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pr-vrescale/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pr-vrescale/topol -maxwarn 10 >grompp.out 2>grompp.err 237s gmx check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pr-vrescale/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 237s gmx mdrun -notunepme >mdrun.out 2>&1 237s gmx check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pr-vrescale/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 237s gmx check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pr-vrescale/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 237s PASSED but check mdp file differences 237s Testing pull_constraint . . . gmx grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_constraint/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_constraint/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_constraint/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_constraint/topol -maxwarn 10 -n /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_constraint/index >grompp.out 2>grompp.err 237s gmx check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_constraint/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 237s gmx mdrun -notunepme >mdrun.out 2>&1 237s gmx check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_constraint/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 237s gmx check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_constraint/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 237s PASSED but check mdp file differences 237s Testing pull_cylinder . . . gmx grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_cylinder/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_cylinder/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_cylinder/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_cylinder/topol -maxwarn 10 -n /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_cylinder/index >grompp.out 2>grompp.err 237s gmx check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_cylinder/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 237s gmx mdrun -notunepme >mdrun.out 2>&1 237s gmx check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_cylinder/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 237s gmx check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_cylinder/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 237s PASSED but check mdp file differences 237s Testing pull_geometry_angle . . . gmx grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_geometry_angle/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_geometry_angle/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_geometry_angle/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_geometry_angle/topol -maxwarn 10 -n /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_geometry_angle/index >grompp.out 2>grompp.err 237s gmx check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_geometry_angle/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 237s gmx mdrun -notunepme >mdrun.out 2>&1 238s gmx check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_geometry_angle/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 238s gmx check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_geometry_angle/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 238s PASSED but check mdp file differences 238s Testing pull_geometry_angle-axis . . . gmx grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_geometry_angle-axis/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_geometry_angle-axis/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_geometry_angle-axis/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_geometry_angle-axis/topol -maxwarn 10 -n /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_geometry_angle-axis/index >grompp.out 2>grompp.err 238s gmx check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_geometry_angle-axis/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 238s gmx mdrun -notunepme >mdrun.out 2>&1 238s gmx check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_geometry_angle-axis/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 238s gmx check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_geometry_angle-axis/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 238s PASSED but check mdp file differences 238s Testing pull_geometry_dihedral . . . gmx grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_geometry_dihedral/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_geometry_dihedral/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_geometry_dihedral/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_geometry_dihedral/topol -maxwarn 10 -n /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_geometry_dihedral/index >grompp.out 2>grompp.err 238s gmx check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_geometry_dihedral/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 238s gmx mdrun -notunepme >mdrun.out 2>&1 238s gmx check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_geometry_dihedral/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 238s gmx check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_geometry_dihedral/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 238s PASSED but check mdp file differences 238s Testing reb . . . gmx grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/reb/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/reb/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/reb/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/reb/topol -maxwarn 10 >grompp.out 2>grompp.err 238s gmx check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/reb/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 238s gmx mdrun -nb cpu -notunepme >mdrun.out 2>&1 238s gmx check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/reb/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 238s gmx check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/reb/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 238s PASSED but check mdp file differences 238s Testing sw . . . gmx grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/sw/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/sw/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/sw/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/sw/topol -maxwarn 10 >grompp.out 2>grompp.err 238s gmx check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/sw/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 238s gmx mdrun -ntmpi 1 -notunepme >mdrun.out 2>&1 239s gmx check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/sw/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 239s gmx check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/sw/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 239s PASSED but check mdp file differences 239s Testing swap_x . . . gmx grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/swap_x/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/swap_x/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/swap_x/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/swap_x/topol -maxwarn 10 -n /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/swap_x/index >grompp.out 2>grompp.err 240s gmx check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/swap_x/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 240s gmx mdrun -notunepme >mdrun.out 2>&1 240s gmx check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/swap_x/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 240s gmx check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/swap_x/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 240s PASSED but check mdp file differences 240s Testing swap_y . . . gmx grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/swap_y/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/swap_y/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/swap_y/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/swap_y/topol -maxwarn 10 -n /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/swap_y/index >grompp.out 2>grompp.err 240s gmx check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/swap_y/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 240s gmx mdrun -notunepme >mdrun.out 2>&1 241s gmx check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/swap_y/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 241s gmx check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/swap_y/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 241s PASSED but check mdp file differences 241s Testing swap_z . . . gmx grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/swap_z/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/swap_z/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/swap_z/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/swap_z/topol -maxwarn 10 -n /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/swap_z/index >grompp.out 2>grompp.err 241s gmx check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/swap_z/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 241s gmx mdrun -notunepme >mdrun.out 2>&1 242s gmx check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/swap_z/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 242s gmx check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/swap_z/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 242s PASSED but check mdp file differences 242s Testing tip4p . . . gmx grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/tip4p/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/tip4p/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/tip4p/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/tip4p/topol -maxwarn 10 >grompp.out 2>grompp.err 242s gmx check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/tip4p/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 242s gmx mdrun -notunepme >mdrun.out 2>&1 242s gmx check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/tip4p/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 242s gmx check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/tip4p/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 242s PASSED but check mdp file differences 242s Testing tip4p_continue . . . gmx grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/tip4p_continue/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/tip4p_continue/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/tip4p_continue/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/tip4p_continue/topol -maxwarn 10 >grompp.out 2>grompp.err 242s gmx check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/tip4p_continue/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 242s gmx mdrun -notunepme -cpi /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/tip4p_continue/continue -noappend >mdrun.out 2>&1 242s gmx check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/tip4p_continue/reference_s.edr -e2 ener.part0002.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 242s gmx check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/tip4p_continue/reference_s.trr -f2 traj.part0002.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 242s PASSED but check mdp file differences 242s Testing tip4pflex . . . gmx grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/tip4pflex/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/tip4pflex/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/tip4pflex/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/tip4pflex/topol -maxwarn 10 >grompp.out 2>grompp.err 242s gmx check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/tip4pflex/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 242s gmx mdrun -notunepme >mdrun.out 2>&1 243s gmx check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/tip4pflex/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 243s gmx check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/tip4pflex/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 243s PASSED but check mdp file differences 243s Testing urea . . . gmx grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/urea/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/urea/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/urea/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/urea/topol -maxwarn 10 >grompp.out 2>grompp.err 243s gmx check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/urea/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 243s gmx mdrun -notunepme >mdrun.out 2>&1 243s gmx check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/urea/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 243s gmx check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/urea/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 243s PASSED but check mdp file differences 243s Testing walls . . . gmx grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/walls/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/walls/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/walls/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/walls/topol -maxwarn 10 >grompp.out 2>grompp.err 243s gmx check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/walls/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 243s gmx mdrun -notunepme >mdrun.out 2>&1 243s gmx check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/walls/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 243s gmx check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/walls/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 243s PASSED but check mdp file differences 243s All 48 complex tests PASSED 243s Testing coulandvdwsequential_coul . . . gmx grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/coulandvdwsequential_coul/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/coulandvdwsequential_coul/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/coulandvdwsequential_coul/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/coulandvdwsequential_coul/topol -maxwarn 10 >grompp.out 2>grompp.err 243s gmx check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/coulandvdwsequential_coul/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 243s gmx mdrun -notunepme >mdrun.out 2>&1 244s gmx check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/coulandvdwsequential_coul/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 244s gmx check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/coulandvdwsequential_coul/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 244s PASSED but check mdp file differences 244s Testing coulandvdwsequential_vdw . . . gmx grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/coulandvdwsequential_vdw/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/coulandvdwsequential_vdw/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/coulandvdwsequential_vdw/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/coulandvdwsequential_vdw/topol -maxwarn 10 >grompp.out 2>grompp.err 245s gmx check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/coulandvdwsequential_vdw/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 245s gmx mdrun -notunepme >mdrun.out 2>&1 246s gmx check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/coulandvdwsequential_vdw/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 246s gmx check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/coulandvdwsequential_vdw/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 246s PASSED but check mdp file differences 246s Testing coulandvdwtogether . . . gmx grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/coulandvdwtogether/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/coulandvdwtogether/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/coulandvdwtogether/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/coulandvdwtogether/topol -maxwarn 10 >grompp.out 2>grompp.err 246s gmx check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/coulandvdwtogether/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 246s gmx mdrun -notunepme >mdrun.out 2>&1 247s gmx check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/coulandvdwtogether/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 247s gmx check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/coulandvdwtogether/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 247s PASSED but check mdp file differences 247s Testing expanded . . . gmx grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/expanded/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/expanded/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/expanded/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/expanded/topol -maxwarn 10 >grompp.out 2>grompp.err 247s gmx check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/expanded/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 247s gmx mdrun -notunepme >mdrun.out 2>&1 249s gmx check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/expanded/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 249s gmx check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/expanded/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 249s PASSED but check mdp file differences 249s Testing relative . . . gmx grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/relative/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/relative/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/relative/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/relative/topol -maxwarn 10 >grompp.out 2>grompp.err 249s gmx check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/relative/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 249s gmx mdrun -notunepme >mdrun.out 2>&1 251s gmx check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/relative/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 251s gmx check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/relative/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 251s PASSED but check mdp file differences 251s Testing relative-position-restraints . . . gmx grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/relative-position-restraints/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/relative-position-restraints/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/relative-position-restraints/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/relative-position-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 251s gmx check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/relative-position-restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 251s gmx mdrun -notunepme >mdrun.out 2>&1 253s gmx check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/relative-position-restraints/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 253s gmx check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/relative-position-restraints/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 253s PASSED but check mdp file differences 253s Testing restraints . . . gmx grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/restraints/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/restraints/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/restraints/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 253s gmx check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 253s gmx mdrun -notunepme >mdrun.out 2>&1 272s gmx check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/restraints/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 272s gmx check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/restraints/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 272s PASSED but check mdp file differences 272s Testing simtemp . . . gmx grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/simtemp/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/simtemp/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/simtemp/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/simtemp/topol -maxwarn 10 >grompp.out 2>grompp.err 272s gmx check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/simtemp/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 272s gmx mdrun -notunepme >mdrun.out 2>&1 272s gmx check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/simtemp/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 272s gmx check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/simtemp/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 273s PASSED but check mdp file differences 273s Testing transformAtoB . . . gmx grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/transformAtoB/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/transformAtoB/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/transformAtoB/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/transformAtoB/topol -maxwarn 10 >grompp.out 2>grompp.err 273s gmx check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/transformAtoB/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 273s gmx mdrun -notunepme >mdrun.out 2>&1 274s gmx check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/transformAtoB/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 274s gmx check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/transformAtoB/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 274s PASSED but check mdp file differences 274s Testing vdwalone . . . gmx grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/vdwalone/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/vdwalone/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/vdwalone/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/vdwalone/topol -maxwarn 10 >grompp.out 2>grompp.err 274s gmx check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/vdwalone/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 274s gmx mdrun -notunepme >mdrun.out 2>&1 275s gmx check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/vdwalone/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 275s gmx check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/vdwalone/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 275s PASSED but check mdp file differences 275s All 10 freeenergy tests PASSED 275s All 0 extra tests PASSED 275s Testing linfix . . . 275s gmx grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/linfix/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/linfix/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/linfix/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/linfix/topol -maxwarn 2 >grompp.out 2>grompp.err 275s echo 0 | gmx make_edi -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/linfix/eigenvec.trr -outfrq 1 -linfix 1 -linstep 0.0013 -o sam.edi 1>make_edi.out 2>make_edi.err 275s gmx mdrun -ei sam.edi -eo linfix.xvg >mdrun.out 2>&1 275s Comparing column #0 of .xvg files /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 0 275s Comparing column #1 of .xvg files /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 0.05 275s Comparing column #2 of .xvg files /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 1e-06 275s Testing linacc . . . 275s gmx grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/linacc/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/linacc/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/linacc/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/linacc/topol -maxwarn 2 >grompp.out 2>grompp.err 275s echo 0 | gmx make_edi -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/linacc/eigenvec.trr -outfrq 2 -linacc 1 -accdir +1 -o sam.edi 1>make_edi.out 2>make_edi.err 275s gmx mdrun -ei sam.edi -eo linacc.xvg >mdrun.out 2>&1 275s Comparing column #0 of .xvg files /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0 275s Comparing column #1 of .xvg files /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0.005 275s Comparing column #2 of .xvg files /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0.001 275s Checking monotonicity for column 2 of file linacc.xvg ... values of column 2 are increasing monotonically. 275s Testing radfix . . . 275s gmx grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/radfix/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/radfix/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/radfix/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/radfix/topol -maxwarn 2 >grompp.out 2>grompp.err 275s echo 0 | gmx make_edi -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/radfix/eigenvec.trr -outfrq 1 -radfix 1-2 -radstep 0.002 -o sam.edi 1>make_edi.out 2>make_edi.err 275s gmx mdrun -ei sam.edi -eo radfix.xvg >mdrun.out 2>&1 275s Comparing column #0 of .xvg files /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0 275s Comparing column #1 of .xvg files /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0.05 275s Comparing column #4 of .xvg files /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0 275s Checking radius for file radfix.xvg ... all values within tolerance of 1e-05 275s Testing radacc . . . 275s gmx grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/radacc/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/radacc/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/radacc/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/radacc/topol -maxwarn 2 >grompp.out 2>grompp.err 275s echo 0 | gmx make_edi -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/radacc/eigenvec.trr -outfrq 3 -radacc 1-2 -o sam.edi 1>make_edi.out 2>make_edi.err 275s gmx mdrun -ei sam.edi -eo radacc.xvg >mdrun.out 2>&1 275s Comparing column #0 of .xvg files /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/radacc/edsam_reference.xvg and radacc.xvg ... all within tolerance of 0 275s Comparing column #1 of .xvg files /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/radacc/edsam_reference.xvg and radacc.xvg ... all within tolerance of 0.05 275s Checking radius for file radacc.xvg ... all values within tolerance of 1e-05 275s Checking monotonicity for column 4 of file radacc.xvg ... values of column 4 are increasing monotonically. 275s Testing radcon . . . 275s gmx grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/radcon/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/radcon/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/radcon/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/radcon/topol -maxwarn 2 >grompp.out 2>grompp.err 275s echo 0 0 | gmx make_edi -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/radcon/eigenvec.trr -outfrq 1 -radcon 1-2 -tar /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/radcon/target.pdb -o sam.edi 1>make_edi.out 2>make_edi.err 275s gmx mdrun -ei sam.edi -eo radcon.xvg >mdrun.out 2>&1 275s Comparing column #0 of .xvg files /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/radcon/edsam_reference.xvg and radcon.xvg ... all within tolerance of 0 275s Comparing column #1 of .xvg files /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/radcon/edsam_reference.xvg and radcon.xvg ... all within tolerance of 0.05 275s Checking radius for file radcon.xvg ... all values within tolerance of 1e-05 275s Checking monotonicity for column 4 of file radcon.xvg ... values of column 4 are decreasing monotonically. 275s Testing flooding1 . . . 275s gmx grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/flooding1/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/flooding1/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/flooding1/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/flooding1/topol -maxwarn 2 >grompp.out 2>grompp.err 276s gmx mdrun -ei /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/flooding1/sam.edi -eo flooding1.xvg >mdrun.out 2>&1 276s Comparing column #0 of .xvg files /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 0 276s Comparing column #1 of .xvg files /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 276s Comparing column #2 of .xvg files /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 276s Comparing column #3 of .xvg files /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 276s Comparing column #4 of .xvg files /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 276s Comparing column #5 of .xvg files /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 276s Comparing column #6 of .xvg files /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 276s Comparing column #7 of .xvg files /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 276s Testing flooding2 . . . 276s gmx grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/flooding2/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/flooding2/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/flooding2/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/flooding2/topol -maxwarn 2 >grompp.out 2>grompp.err 276s gmx mdrun -ei /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/flooding2/sam.edi -eo flooding2.xvg >mdrun.out 2>&1 278s Comparing column #0 of .xvg files /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0 278s Comparing column #1 of .xvg files /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.05 278s Comparing column #2 of .xvg files /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.025 278s Comparing column #3 of .xvg files /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 250 278s Comparing column #4 of .xvg files /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 1000 278s Comparing column #5 of .xvg files /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.025 278s Comparing column #6 of .xvg files /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 250 278s Comparing column #7 of .xvg files /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 1000 278s All 7 essential dynamics tests PASSED 278s ======================================================== 278s Starting regression tests: basic build, double precision 278s ======================================================== 278s Testing acetonitrilRF . . . gmx_d grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/acetonitrilRF/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/acetonitrilRF/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/acetonitrilRF/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/acetonitrilRF/topol -maxwarn 10 >grompp.out 2>grompp.err 278s gmx_d check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/acetonitrilRF/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 278s gmx_d mdrun -nb cpu -notunepme >mdrun.out 2>&1 278s gmx_d check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/acetonitrilRF/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 278s gmx_d check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/acetonitrilRF/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 278s PASSED but check mdp file differences 278s Testing aminoacids . . . gmx_d grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/aminoacids/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/aminoacids/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/aminoacids/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/aminoacids/topol -maxwarn 10 >grompp.out 2>grompp.err 278s gmx_d check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/aminoacids/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 278s gmx_d mdrun -notunepme >mdrun.out 2>&1 279s gmx_d check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/aminoacids/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 279s gmx_d check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/aminoacids/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 279s PASSED but check mdp file differences 279s Testing argon . . . gmx_d grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/argon/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/argon/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/argon/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/argon/topol -maxwarn 10 >grompp.out 2>grompp.err 279s gmx_d check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/argon/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 279s gmx_d mdrun -nb cpu -notunepme >mdrun.out 2>&1 279s gmx_d check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/argon/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 279s gmx_d check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/argon/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 279s PASSED but check mdp file differences 279s Testing awh_multibias . . . gmx_d grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/awh_multibias/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/awh_multibias/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/awh_multibias/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/awh_multibias/topol -maxwarn 10 -n /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/awh_multibias/index >grompp.out 2>grompp.err 279s gmx_d check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/awh_multibias/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 279s gmx_d mdrun -notunepme -cpi /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/awh_multibias/continue -noappend >mdrun.out 2>&1 279s gmx_d check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/awh_multibias/reference_d.edr -e2 ener.part0002.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 279s gmx_d check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/awh_multibias/reference_d.trr -f2 traj.part0002.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 279s PASSED but check mdp file differences 279s Testing awh_multidim . . . gmx_d grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/awh_multidim/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/awh_multidim/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/awh_multidim/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/awh_multidim/topol -maxwarn 10 -n /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/awh_multidim/index >grompp.out 2>grompp.err 279s gmx_d check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/awh_multidim/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 279s gmx_d mdrun -notunepme >mdrun.out 2>&1 279s gmx_d check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/awh_multidim/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 279s gmx_d check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/awh_multidim/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 279s PASSED but check mdp file differences 279s Testing butane . . . gmx_d grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/butane/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/butane/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/butane/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/butane/topol -maxwarn 10 >grompp.out 2>grompp.err 279s gmx_d check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/butane/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 279s gmx_d mdrun -notunepme >mdrun.out 2>&1 279s gmx_d check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/butane/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 279s gmx_d check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/butane/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 279s PASSED but check mdp file differences 279s Testing cbt . . . gmx_d grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/cbt/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/cbt/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/cbt/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/cbt/topol -maxwarn 10 >grompp.out 2>grompp.err 279s gmx_d check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/cbt/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 279s gmx_d mdrun -nb cpu -notunepme >mdrun.out 2>&1 279s gmx_d check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/cbt/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 279s gmx_d check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/cbt/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 279s PASSED but check mdp file differences 279s Testing dd121 . . . gmx_d grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/dd121/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/dd121/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/dd121/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/dd121/topol -maxwarn 10 >grompp.out 2>grompp.err 279s gmx_d check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/dd121/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 279s gmx_d mdrun -ntmpi 12 -notunepme >mdrun.out 2>&1 310s gmx_d check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/dd121/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 310s gmx_d check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/dd121/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 310s PASSED but check mdp file differences 310s Testing dec+water . . . gmx_d grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/dec+water/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/dec+water/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/dec+water/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/dec+water/topol -maxwarn 10 >grompp.out 2>grompp.err 310s gmx_d check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/dec+water/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 310s gmx_d mdrun -nb cpu -notunepme >mdrun.out 2>&1 310s gmx_d check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/dec+water/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 310s gmx_d check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/dec+water/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 310s PASSED but check mdp file differences 310s Testing distance_restraints . . . gmx_d grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/distance_restraints/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/distance_restraints/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/distance_restraints/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/distance_restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 310s gmx_d check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/distance_restraints/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 310s gmx_d mdrun -ntmpi 1 -notunepme >mdrun.out 2>&1 311s gmx_d check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/distance_restraints/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 311s gmx_d check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/distance_restraints/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 311s PASSED but check mdp file differences 311s Testing ethyleenglycol . . . gmx_d grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/ethyleenglycol/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/ethyleenglycol/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/ethyleenglycol/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/ethyleenglycol/topol -maxwarn 10 >grompp.out 2>grompp.err 311s gmx_d check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/ethyleenglycol/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 311s gmx_d mdrun -notunepme >mdrun.out 2>&1 311s gmx_d check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/ethyleenglycol/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 311s gmx_d check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/ethyleenglycol/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 311s PASSED but check mdp file differences 311s Testing field . . . gmx_d grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/field/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/field/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/field/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/field/topol -maxwarn 10 >grompp.out 2>grompp.err 311s gmx_d check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/field/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 311s gmx_d mdrun -notunepme >mdrun.out 2>&1 311s gmx_d check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/field/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 311s gmx_d check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/field/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 311s PASSED but check mdp file differences 311s Testing nacl . . . gmx_d grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nacl/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nacl/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nacl/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nacl/topol -maxwarn 10 >grompp.out 2>grompp.err 311s gmx_d check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nacl/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 311s gmx_d mdrun -notunepme >mdrun.out 2>&1 311s gmx_d check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nacl/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 311s gmx_d check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nacl/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 311s PASSED but check mdp file differences 311s Testing nbnxn-energy-groups . . . gmx_d grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-energy-groups/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-energy-groups/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-energy-groups/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-energy-groups/topol -maxwarn 10 >grompp.out 2>grompp.err 311s gmx_d check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-energy-groups/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 311s gmx_d mdrun -nb cpu -notunepme >mdrun.out 2>&1 311s gmx_d check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-energy-groups/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 311s gmx_d check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-energy-groups/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 312s PASSED but check mdp file differences 312s Testing nbnxn-free-energy . . . gmx_d grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-free-energy/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-free-energy/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-free-energy/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-free-energy/topol -maxwarn 10 >grompp.out 2>grompp.err 312s gmx_d check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-free-energy/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 312s gmx_d mdrun -notunepme >mdrun.out 2>&1 312s gmx_d check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-free-energy/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 312s gmx_d check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-free-energy/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 312s PASSED but check mdp file differences 312s Testing nbnxn-free-energy-vv . . . gmx_d grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-free-energy-vv/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-free-energy-vv/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-free-energy-vv/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-free-energy-vv/topol -maxwarn 10 >grompp.out 2>grompp.err 312s gmx_d check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-free-energy-vv/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 312s gmx_d mdrun -notunepme >mdrun.out 2>&1 312s gmx_d check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-free-energy-vv/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 312s gmx_d check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-free-energy-vv/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 312s PASSED but check mdp file differences 312s Testing nbnxn-ljpme-geometric . . . gmx_d grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-ljpme-geometric/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-ljpme-geometric/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-ljpme-geometric/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-ljpme-geometric/topol -maxwarn 10 >grompp.out 2>grompp.err 312s gmx_d check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-ljpme-geometric/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 312s gmx_d mdrun -notunepme >mdrun.out 2>&1 313s gmx_d check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-ljpme-geometric/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 313s gmx_d check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-ljpme-geometric/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 313s PASSED but check mdp file differences 313s Testing nbnxn-ljpme-LB . . . gmx_d grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-ljpme-LB/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-ljpme-LB/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-ljpme-LB/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-ljpme-LB/topol -maxwarn 10 >grompp.out 2>grompp.err 313s gmx_d check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-ljpme-LB/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 313s gmx_d mdrun -notunepme >mdrun.out 2>&1 313s gmx_d check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-ljpme-LB/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 313s gmx_d check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-ljpme-LB/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 313s PASSED but check mdp file differences 313s Testing nbnxn-ljpme-LB-geometric . . . gmx_d grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/topol -maxwarn 10 >grompp.out 2>grompp.err 313s gmx_d check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 313s gmx_d mdrun -notunepme >mdrun.out 2>&1 314s gmx_d check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 314s gmx_d check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 314s PASSED but check mdp file differences 314s Testing nbnxn-vdw-force-switch . . . gmx_d grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-vdw-force-switch/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-vdw-force-switch/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-vdw-force-switch/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-vdw-force-switch/topol -maxwarn 10 >grompp.out 2>grompp.err 314s gmx_d check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-vdw-force-switch/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 314s gmx_d mdrun -notunepme >mdrun.out 2>&1 314s gmx_d check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-vdw-force-switch/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 314s gmx_d check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-vdw-force-switch/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 314s PASSED but check mdp file differences 314s Testing nbnxn-vdw-potential-switch . . . gmx_d grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-vdw-potential-switch/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-vdw-potential-switch/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-vdw-potential-switch/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-vdw-potential-switch/topol -maxwarn 10 >grompp.out 2>grompp.err 314s gmx_d check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-vdw-potential-switch/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 314s gmx_d mdrun -notunepme >mdrun.out 2>&1 314s gmx_d check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-vdw-potential-switch/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 314s gmx_d check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-vdw-potential-switch/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 314s PASSED but check mdp file differences 314s Testing nbnxn-vdw-potential-switch-argon . . . gmx_d grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/topol -maxwarn 10 >grompp.out 2>grompp.err 314s gmx_d check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 314s gmx_d mdrun -notunepme >mdrun.out 2>&1 314s gmx_d check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 314s gmx_d check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 314s PASSED but check mdp file differences 314s Testing nbnxn_pme . . . gmx_d grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_pme/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_pme/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_pme/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_pme/topol -maxwarn 10 >grompp.out 2>grompp.err 314s gmx_d check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_pme/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 314s gmx_d mdrun -notunepme >mdrun.out 2>&1 315s gmx_d check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_pme/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 315s gmx_d check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_pme/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 315s PASSED but check mdp file differences 315s Testing nbnxn_pme_order5 . . . gmx_d grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_pme_order5/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_pme_order5/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_pme_order5/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_pme_order5/topol -maxwarn 10 >grompp.out 2>grompp.err 315s gmx_d check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_pme_order5/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 315s gmx_d mdrun -notunepme >mdrun.out 2>&1 315s gmx_d check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_pme_order5/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 315s gmx_d check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_pme_order5/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 315s PASSED but check mdp file differences 315s Testing nbnxn_pme_order6 . . . gmx_d grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_pme_order6/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_pme_order6/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_pme_order6/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_pme_order6/topol -maxwarn 10 >grompp.out 2>grompp.err 315s gmx_d check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_pme_order6/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 315s gmx_d mdrun -notunepme >mdrun.out 2>&1 315s gmx_d check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_pme_order6/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 315s gmx_d check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_pme_order6/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 315s PASSED but check mdp file differences 315s Testing nbnxn_rf . . . gmx_d grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_rf/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_rf/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_rf/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_rf/topol -maxwarn 10 >grompp.out 2>grompp.err 315s gmx_d check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_rf/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 315s gmx_d mdrun -notunepme >mdrun.out 2>&1 315s gmx_d check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_rf/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 315s gmx_d check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_rf/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 315s PASSED but check mdp file differences 315s Testing nbnxn_rzero . . . gmx_d grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_rzero/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_rzero/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_rzero/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_rzero/topol -maxwarn 10 >grompp.out 2>grompp.err 315s gmx_d check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_rzero/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 315s gmx_d mdrun -notunepme >mdrun.out 2>&1 315s gmx_d check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_rzero/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 315s gmx_d check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_rzero/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 315s PASSED but check mdp file differences 315s Testing nbnxn_vsite . . . gmx_d grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_vsite/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_vsite/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_vsite/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_vsite/topol -maxwarn 10 >grompp.out 2>grompp.err 315s gmx_d check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_vsite/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 315s gmx_d mdrun -ntmpi 6 -notunepme >mdrun.out 2>&1 324s gmx_d check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_vsite/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 324s gmx_d check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_vsite/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 324s PASSED but check mdp file differences 324s Testing nst_mismatch . . . gmx_d grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nst_mismatch/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nst_mismatch/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nst_mismatch/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nst_mismatch/topol -maxwarn 10 >grompp.out 2>grompp.err 325s gmx_d check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nst_mismatch/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 325s gmx_d mdrun -notunepme >mdrun.out 2>&1 325s gmx_d check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nst_mismatch/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 325s gmx_d check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nst_mismatch/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 325s PASSED but check mdp file differences 325s Testing octahedron . . . gmx_d grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/octahedron/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/octahedron/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/octahedron/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/octahedron/topol -maxwarn 10 >grompp.out 2>grompp.err 325s gmx_d check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/octahedron/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 325s gmx_d mdrun -notunepme >mdrun.out 2>&1 326s gmx_d check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/octahedron/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 326s gmx_d check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/octahedron/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 326s PASSED but check mdp file differences 326s Testing orientation-restraints . . . gmx_d grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/orientation-restraints/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/orientation-restraints/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/orientation-restraints/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/orientation-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 326s gmx_d check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/orientation-restraints/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 326s gmx_d mdrun -ntmpi 1 -notunepme >mdrun.out 2>&1 331s gmx_d check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/orientation-restraints/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 331s gmx_d check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/orientation-restraints/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 331s PASSED but check mdp file differences 331s Testing position-restraints . . . gmx_d grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/position-restraints/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/position-restraints/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/position-restraints/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/position-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 332s gmx_d check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/position-restraints/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 332s gmx_d mdrun -notunepme >mdrun.out 2>&1 332s gmx_d check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/position-restraints/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 332s gmx_d check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/position-restraints/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 332s PASSED but check mdp file differences 332s Testing pr-vrescale . . . gmx_d grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pr-vrescale/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pr-vrescale/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pr-vrescale/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pr-vrescale/topol -maxwarn 10 >grompp.out 2>grompp.err 332s gmx_d check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pr-vrescale/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 332s gmx_d mdrun -notunepme >mdrun.out 2>&1 332s gmx_d check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pr-vrescale/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 332s gmx_d check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pr-vrescale/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 332s PASSED but check mdp file differences 332s Testing pull_constraint . . . gmx_d grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_constraint/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_constraint/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_constraint/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_constraint/topol -maxwarn 10 -n /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_constraint/index >grompp.out 2>grompp.err 332s gmx_d check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_constraint/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 332s gmx_d mdrun -notunepme >mdrun.out 2>&1 332s gmx_d check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_constraint/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 332s gmx_d check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_constraint/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 332s PASSED but check mdp file differences 332s Testing pull_cylinder . . . gmx_d grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_cylinder/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_cylinder/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_cylinder/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_cylinder/topol -maxwarn 10 -n /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_cylinder/index >grompp.out 2>grompp.err 332s gmx_d check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_cylinder/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 332s gmx_d mdrun -notunepme >mdrun.out 2>&1 333s gmx_d check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_cylinder/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 333s gmx_d check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_cylinder/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 333s PASSED but check mdp file differences 333s Testing pull_geometry_angle . . . gmx_d grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_geometry_angle/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_geometry_angle/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_geometry_angle/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_geometry_angle/topol -maxwarn 10 -n /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_geometry_angle/index >grompp.out 2>grompp.err 333s gmx_d check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_geometry_angle/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 333s gmx_d mdrun -notunepme >mdrun.out 2>&1 333s gmx_d check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_geometry_angle/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 333s gmx_d check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_geometry_angle/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 333s PASSED but check mdp file differences 333s Testing pull_geometry_angle-axis . . . gmx_d grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_geometry_angle-axis/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_geometry_angle-axis/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_geometry_angle-axis/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_geometry_angle-axis/topol -maxwarn 10 -n /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_geometry_angle-axis/index >grompp.out 2>grompp.err 333s gmx_d check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_geometry_angle-axis/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 333s gmx_d mdrun -notunepme >mdrun.out 2>&1 333s gmx_d check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_geometry_angle-axis/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 333s gmx_d check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_geometry_angle-axis/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 333s PASSED but check mdp file differences 333s Testing pull_geometry_dihedral . . . gmx_d grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_geometry_dihedral/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_geometry_dihedral/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_geometry_dihedral/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_geometry_dihedral/topol -maxwarn 10 -n /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_geometry_dihedral/index >grompp.out 2>grompp.err 333s gmx_d check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_geometry_dihedral/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 333s gmx_d mdrun -notunepme >mdrun.out 2>&1 333s gmx_d check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_geometry_dihedral/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 333s gmx_d check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_geometry_dihedral/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 333s PASSED but check mdp file differences 333s Testing reb . . . gmx_d grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/reb/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/reb/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/reb/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/reb/topol -maxwarn 10 >grompp.out 2>grompp.err 333s gmx_d check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/reb/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 333s gmx_d mdrun -nb cpu -notunepme >mdrun.out 2>&1 333s gmx_d check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/reb/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 333s gmx_d check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/reb/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 333s PASSED but check mdp file differences 333s Testing sw . . . gmx_d grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/sw/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/sw/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/sw/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/sw/topol -maxwarn 10 >grompp.out 2>grompp.err 333s gmx_d check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/sw/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 333s gmx_d mdrun -ntmpi 1 -notunepme >mdrun.out 2>&1 334s gmx_d check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/sw/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 334s gmx_d check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/sw/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 334s PASSED but check mdp file differences 334s Testing swap_x . . . gmx_d grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/swap_x/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/swap_x/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/swap_x/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/swap_x/topol -maxwarn 10 -n /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/swap_x/index >grompp.out 2>grompp.err 335s gmx_d check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/swap_x/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 335s gmx_d mdrun -notunepme >mdrun.out 2>&1 335s gmx_d check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/swap_x/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 335s gmx_d check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/swap_x/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 335s PASSED but check mdp file differences 335s Testing swap_y . . . gmx_d grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/swap_y/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/swap_y/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/swap_y/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/swap_y/topol -maxwarn 10 -n /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/swap_y/index >grompp.out 2>grompp.err 336s gmx_d check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/swap_y/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 336s gmx_d mdrun -notunepme >mdrun.out 2>&1 336s gmx_d check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/swap_y/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 336s gmx_d check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/swap_y/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 336s PASSED but check mdp file differences 336s Testing swap_z . . . gmx_d grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/swap_z/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/swap_z/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/swap_z/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/swap_z/topol -maxwarn 10 -n /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/swap_z/index >grompp.out 2>grompp.err 336s gmx_d check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/swap_z/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 336s gmx_d mdrun -notunepme >mdrun.out 2>&1 337s gmx_d check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/swap_z/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 337s gmx_d check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/swap_z/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 337s PASSED but check mdp file differences 337s Testing tip4p . . . gmx_d grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/tip4p/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/tip4p/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/tip4p/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/tip4p/topol -maxwarn 10 >grompp.out 2>grompp.err 337s gmx_d check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/tip4p/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 337s gmx_d mdrun -notunepme >mdrun.out 2>&1 337s gmx_d check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/tip4p/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 337s gmx_d check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/tip4p/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 337s PASSED but check mdp file differences 337s Testing tip4p_continue . . . gmx_d grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/tip4p_continue/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/tip4p_continue/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/tip4p_continue/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/tip4p_continue/topol -maxwarn 10 >grompp.out 2>grompp.err 337s gmx_d check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/tip4p_continue/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 337s gmx_d mdrun -notunepme -cpi /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/tip4p_continue/continue -noappend >mdrun.out 2>&1 338s gmx_d check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/tip4p_continue/reference_d.edr -e2 ener.part0002.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 338s gmx_d check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/tip4p_continue/reference_d.trr -f2 traj.part0002.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 338s PASSED but check mdp file differences 338s Testing tip4pflex . . . gmx_d grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/tip4pflex/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/tip4pflex/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/tip4pflex/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/tip4pflex/topol -maxwarn 10 >grompp.out 2>grompp.err 338s gmx_d check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/tip4pflex/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 338s gmx_d mdrun -notunepme >mdrun.out 2>&1 338s gmx_d check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/tip4pflex/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 338s gmx_d check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/tip4pflex/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 338s PASSED but check mdp file differences 338s Testing urea . . . gmx_d grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/urea/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/urea/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/urea/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/urea/topol -maxwarn 10 >grompp.out 2>grompp.err 338s gmx_d check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/urea/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 338s gmx_d mdrun -notunepme >mdrun.out 2>&1 338s gmx_d check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/urea/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 338s gmx_d check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/urea/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 338s PASSED but check mdp file differences 338s Testing walls . . . gmx_d grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/walls/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/walls/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/walls/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/walls/topol -maxwarn 10 >grompp.out 2>grompp.err 338s gmx_d check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/walls/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 339s gmx_d mdrun -notunepme >mdrun.out 2>&1 339s gmx_d check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/walls/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 339s gmx_d check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/walls/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 339s PASSED but check mdp file differences 339s All 48 complex tests PASSED 339s Testing coulandvdwsequential_coul . . . gmx_d grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/coulandvdwsequential_coul/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/coulandvdwsequential_coul/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/coulandvdwsequential_coul/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/coulandvdwsequential_coul/topol -maxwarn 10 >grompp.out 2>grompp.err 339s gmx_d check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/coulandvdwsequential_coul/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 339s gmx_d mdrun -notunepme >mdrun.out 2>&1 340s gmx_d check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/coulandvdwsequential_coul/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 340s gmx_d check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/coulandvdwsequential_coul/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 340s PASSED but check mdp file differences 340s Testing coulandvdwsequential_vdw . . . gmx_d grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/coulandvdwsequential_vdw/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/coulandvdwsequential_vdw/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/coulandvdwsequential_vdw/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/coulandvdwsequential_vdw/topol -maxwarn 10 >grompp.out 2>grompp.err 340s gmx_d check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/coulandvdwsequential_vdw/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 340s gmx_d mdrun -notunepme >mdrun.out 2>&1 341s gmx_d check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/coulandvdwsequential_vdw/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 341s gmx_d check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/coulandvdwsequential_vdw/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 341s PASSED but check mdp file differences 341s Testing coulandvdwtogether . . . gmx_d grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/coulandvdwtogether/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/coulandvdwtogether/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/coulandvdwtogether/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/coulandvdwtogether/topol -maxwarn 10 >grompp.out 2>grompp.err 342s gmx_d check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/coulandvdwtogether/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 342s gmx_d mdrun -notunepme >mdrun.out 2>&1 342s gmx_d check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/coulandvdwtogether/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 342s gmx_d check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/coulandvdwtogether/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 342s PASSED but check mdp file differences 342s Testing expanded . . . gmx_d grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/expanded/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/expanded/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/expanded/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/expanded/topol -maxwarn 10 >grompp.out 2>grompp.err 342s gmx_d check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/expanded/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 342s gmx_d mdrun -notunepme >mdrun.out 2>&1 345s gmx_d check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/expanded/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 345s gmx_d check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/expanded/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 345s PASSED but check mdp file differences 345s Testing relative . . . gmx_d grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/relative/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/relative/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/relative/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/relative/topol -maxwarn 10 >grompp.out 2>grompp.err 345s gmx_d check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/relative/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 345s gmx_d mdrun -notunepme >mdrun.out 2>&1 347s gmx_d check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/relative/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 347s gmx_d check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/relative/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 347s PASSED but check mdp file differences 347s Testing relative-position-restraints . . . gmx_d grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/relative-position-restraints/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/relative-position-restraints/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/relative-position-restraints/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/relative-position-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 347s gmx_d check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/relative-position-restraints/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 347s gmx_d mdrun -notunepme >mdrun.out 2>&1 349s gmx_d check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/relative-position-restraints/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 349s gmx_d check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/relative-position-restraints/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 349s PASSED but check mdp file differences 349s Testing restraints . . . gmx_d grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/restraints/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/restraints/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/restraints/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 349s gmx_d check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/restraints/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 349s gmx_d mdrun -notunepme >mdrun.out 2>&1 369s gmx_d check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/restraints/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 369s gmx_d check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/restraints/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 369s PASSED but check mdp file differences 369s Testing simtemp . . . gmx_d grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/simtemp/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/simtemp/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/simtemp/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/simtemp/topol -maxwarn 10 >grompp.out 2>grompp.err 369s gmx_d check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/simtemp/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 369s gmx_d mdrun -notunepme >mdrun.out 2>&1 369s gmx_d check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/simtemp/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 369s gmx_d check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/simtemp/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 369s PASSED but check mdp file differences 369s Testing transformAtoB . . . gmx_d grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/transformAtoB/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/transformAtoB/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/transformAtoB/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/transformAtoB/topol -maxwarn 10 >grompp.out 2>grompp.err 369s gmx_d check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/transformAtoB/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 369s gmx_d mdrun -notunepme >mdrun.out 2>&1 370s gmx_d check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/transformAtoB/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 370s gmx_d check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/transformAtoB/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 370s PASSED but check mdp file differences 370s Testing vdwalone . . . gmx_d grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/vdwalone/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/vdwalone/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/vdwalone/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/vdwalone/topol -maxwarn 10 >grompp.out 2>grompp.err 370s gmx_d check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/vdwalone/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 370s gmx_d mdrun -notunepme >mdrun.out 2>&1 372s gmx_d check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/vdwalone/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 372s gmx_d check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/vdwalone/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 372s PASSED but check mdp file differences 372s All 10 freeenergy tests PASSED 372s All 0 extra tests PASSED 372s Testing linfix . . . 372s gmx_d grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/linfix/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/linfix/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/linfix/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/linfix/topol -maxwarn 2 >grompp.out 2>grompp.err 372s echo 0 | gmx_d make_edi -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/linfix/eigenvec.trr -outfrq 1 -linfix 1 -linstep 0.0013 -o sam.edi 1>make_edi.out 2>make_edi.err 372s gmx_d mdrun -ei sam.edi -eo linfix.xvg >mdrun.out 2>&1 372s Comparing column #0 of .xvg files /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 0 372s Comparing column #1 of .xvg files /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 0.05 372s Comparing column #2 of .xvg files /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 1e-06 372s Testing linacc . . . 372s gmx_d grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/linacc/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/linacc/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/linacc/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/linacc/topol -maxwarn 2 >grompp.out 2>grompp.err 372s echo 0 | gmx_d make_edi -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/linacc/eigenvec.trr -outfrq 2 -linacc 1 -accdir +1 -o sam.edi 1>make_edi.out 2>make_edi.err 372s gmx_d mdrun -ei sam.edi -eo linacc.xvg >mdrun.out 2>&1 372s Comparing column #0 of .xvg files /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0 372s Comparing column #1 of .xvg files /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0.005 372s Comparing column #2 of .xvg files /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0.001 372s Checking monotonicity for column 2 of file linacc.xvg ... values of column 2 are increasing monotonically. 372s Testing radfix . . . 372s gmx_d grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/radfix/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/radfix/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/radfix/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/radfix/topol -maxwarn 2 >grompp.out 2>grompp.err 372s echo 0 | gmx_d make_edi -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/radfix/eigenvec.trr -outfrq 1 -radfix 1-2 -radstep 0.002 -o sam.edi 1>make_edi.out 2>make_edi.err 372s gmx_d mdrun -ei sam.edi -eo radfix.xvg >mdrun.out 2>&1 372s Comparing column #0 of .xvg files /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0 372s Comparing column #1 of .xvg files /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0.05 372s Comparing column #4 of .xvg files /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0 372s Checking radius for file radfix.xvg ... all values within tolerance of 1e-05 372s Testing radacc . . . 372s gmx_d grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/radacc/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/radacc/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/radacc/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/radacc/topol -maxwarn 2 >grompp.out 2>grompp.err 372s echo 0 | gmx_d make_edi -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/radacc/eigenvec.trr -outfrq 3 -radacc 1-2 -o sam.edi 1>make_edi.out 2>make_edi.err 372s gmx_d mdrun -ei sam.edi -eo radacc.xvg >mdrun.out 2>&1 372s Comparing column #0 of .xvg files /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/radacc/edsam_reference.xvg and radacc.xvg ... all within tolerance of 0 372s Comparing column #1 of .xvg files /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/radacc/edsam_reference.xvg and radacc.xvg ... all within tolerance of 0.05 372s Checking radius for file radacc.xvg ... all values within tolerance of 1e-05 372s Checking monotonicity for column 4 of file radacc.xvg ... values of column 4 are increasing monotonically. 372s Testing radcon . . . 372s gmx_d grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/radcon/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/radcon/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/radcon/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/radcon/topol -maxwarn 2 >grompp.out 2>grompp.err 372s echo 0 0 | gmx_d make_edi -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/radcon/eigenvec.trr -outfrq 1 -radcon 1-2 -tar /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/radcon/target.pdb -o sam.edi 1>make_edi.out 2>make_edi.err 372s gmx_d mdrun -ei sam.edi -eo radcon.xvg >mdrun.out 2>&1 372s Comparing column #0 of .xvg files /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/radcon/edsam_reference.xvg and radcon.xvg ... all within tolerance of 0 372s Comparing column #1 of .xvg files /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/radcon/edsam_reference.xvg and radcon.xvg ... all within tolerance of 0.05 372s Checking radius for file radcon.xvg ... all values within tolerance of 1e-05 372s Checking monotonicity for column 4 of file radcon.xvg ... values of column 4 are decreasing monotonically. 372s Testing flooding1 . . . 372s gmx_d grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/flooding1/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/flooding1/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/flooding1/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/flooding1/topol -maxwarn 2 >grompp.out 2>grompp.err 372s gmx_d mdrun -ei /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/flooding1/sam.edi -eo flooding1.xvg >mdrun.out 2>&1 373s Comparing column #0 of .xvg files /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 0 373s Comparing column #1 of .xvg files /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 373s Comparing column #2 of .xvg files /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 373s Comparing column #3 of .xvg files /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 373s Comparing column #4 of .xvg files /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 373s Comparing column #5 of .xvg files /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 373s Comparing column #6 of .xvg files /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 373s Comparing column #7 of .xvg files /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 373s Testing flooding2 . . . 373s gmx_d grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/flooding2/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/flooding2/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/flooding2/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/flooding2/topol -maxwarn 2 >grompp.out 2>grompp.err 373s gmx_d mdrun -ei /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/flooding2/sam.edi -eo flooding2.xvg >mdrun.out 2>&1 375s Comparing column #0 of .xvg files /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0 375s Comparing column #1 of .xvg files /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.05 375s Comparing column #2 of .xvg files /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.025 375s Comparing column #3 of .xvg files /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 250 375s Comparing column #4 of .xvg files /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 1000 375s Comparing column #5 of .xvg files /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.025 375s Comparing column #6 of .xvg files /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 250 375s Comparing column #7 of .xvg files /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 1000 375s All 7 essential dynamics tests PASSED 375s ============================================================= 375s Starting regression tests: MPI build, single precision (only) 375s ============================================================= 375s Will test on 4 MPI ranks (if possible) 375s Testing acetonitrilRF . . . gmx_mpi grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/acetonitrilRF/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/acetonitrilRF/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/acetonitrilRF/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/acetonitrilRF/topol -maxwarn 10 >grompp.out 2>grompp.err 375s gmx_mpi check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/acetonitrilRF/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 375s mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/acetonitrilRF gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1 375s 375s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/acetonitrilRF gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1' was -1 375s FAILED. Check mdrun.out, md.log file(s) in acetonitrilRF for acetonitrilRF 375s Testing aminoacids . . . gmx_mpi grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/aminoacids/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/aminoacids/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/aminoacids/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/aminoacids/topol -maxwarn 10 >grompp.out 2>grompp.err 375s gmx_mpi check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/aminoacids/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 375s mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/aminoacids gmx_mpi mdrun -notunepme >mdrun.out 2>&1 375s 375s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/aminoacids gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 375s FAILED. Check mdrun.out, md.log file(s) in aminoacids for aminoacids 375s Testing argon . . . gmx_mpi grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/argon/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/argon/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/argon/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/argon/topol -maxwarn 10 >grompp.out 2>grompp.err 375s gmx_mpi check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/argon/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 375s mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/argon gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1 375s 375s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/argon gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1' was -1 375s FAILED. Check mdrun.out, md.log file(s) in argon for argon 375s Testing awh_multibias . . . gmx_mpi grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/awh_multibias/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/awh_multibias/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/awh_multibias/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/awh_multibias/topol -maxwarn 10 -n /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/awh_multibias/index >grompp.out 2>grompp.err 375s gmx_mpi check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/awh_multibias/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 375s mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/awh_multibias gmx_mpi mdrun -notunepme -cpi /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/awh_multibias/continue -noappend >mdrun.out 2>&1 375s 375s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/awh_multibias gmx_mpi mdrun -notunepme -cpi /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/awh_multibias/continue -noappend >mdrun.out 2>&1' was -1 375s FAILED. Check mdrun.out, md.log file(s) in awh_multibias for awh_multibias 375s Testing awh_multidim . . . gmx_mpi grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/awh_multidim/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/awh_multidim/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/awh_multidim/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/awh_multidim/topol -maxwarn 10 -n /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/awh_multidim/index >grompp.out 2>grompp.err 375s gmx_mpi check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/awh_multidim/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 375s mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/awh_multidim gmx_mpi mdrun -notunepme >mdrun.out 2>&1 375s 375s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/awh_multidim gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 375s FAILED. Check mdrun.out, md.log file(s) in awh_multidim for awh_multidim 375s Testing butane . . . gmx_mpi grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/butane/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/butane/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/butane/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/butane/topol -maxwarn 10 >grompp.out 2>grompp.err 375s gmx_mpi check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/butane/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 375s mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/butane gmx_mpi mdrun -notunepme >mdrun.out 2>&1 376s 376s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/butane gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 376s FAILED. Check mdrun.out, md.log file(s) in butane for butane 376s Testing cbt . . . gmx_mpi grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/cbt/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/cbt/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/cbt/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/cbt/topol -maxwarn 10 >grompp.out 2>grompp.err 376s gmx_mpi check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/cbt/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 376s mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/cbt gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1 376s 376s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/cbt gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1' was -1 376s FAILED. Check mdrun.out, md.log file(s) in cbt for cbt 376s Testing dd121 . . . gmx_mpi grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/dd121/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/dd121/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/dd121/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/dd121/topol -maxwarn 10 >grompp.out 2>grompp.err 376s gmx_mpi check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/dd121/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 376s mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/dd121 gmx_mpi mdrun -notunepme >mdrun.out 2>&1 376s 376s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/dd121 gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 376s FAILED. Check mdrun.out, md.log file(s) in dd121 for dd121 376s Testing dec+water . . . gmx_mpi grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/dec+water/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/dec+water/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/dec+water/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/dec+water/topol -maxwarn 10 >grompp.out 2>grompp.err 376s gmx_mpi check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/dec+water/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 376s mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/dec+water gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1 376s 376s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/dec+water gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1' was -1 376s FAILED. Check mdrun.out, md.log file(s) in dec+water for dec+water 376s Testing distance_restraints . . . gmx_mpi grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/distance_restraints/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/distance_restraints/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/distance_restraints/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/distance_restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 376s gmx_mpi check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/distance_restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 376s mpirun -np 1 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/distance_restraints gmx_mpi mdrun -notunepme >mdrun.out 2>&1 376s gmx_mpi check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/distance_restraints/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 376s gmx_mpi check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/distance_restraints/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 376s PASSED but check mdp file differences 376s Testing ethyleenglycol . . . gmx_mpi grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/ethyleenglycol/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/ethyleenglycol/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/ethyleenglycol/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/ethyleenglycol/topol -maxwarn 10 >grompp.out 2>grompp.err 376s gmx_mpi check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/ethyleenglycol/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 377s mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/ethyleenglycol gmx_mpi mdrun -notunepme >mdrun.out 2>&1 377s 377s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/ethyleenglycol gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 377s FAILED. Check mdrun.out, md.log file(s) in ethyleenglycol for ethyleenglycol 377s Testing field . . . gmx_mpi grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/field/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/field/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/field/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/field/topol -maxwarn 10 >grompp.out 2>grompp.err 377s gmx_mpi check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/field/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 377s mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/field gmx_mpi mdrun -notunepme >mdrun.out 2>&1 377s 377s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/field gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 377s FAILED. Check mdrun.out, md.log file(s) in field for field 377s Testing nacl . . . gmx_mpi grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nacl/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nacl/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nacl/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nacl/topol -maxwarn 10 >grompp.out 2>grompp.err 377s gmx_mpi check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nacl/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 377s mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nacl gmx_mpi mdrun -notunepme >mdrun.out 2>&1 377s 377s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nacl gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 377s FAILED. Check mdrun.out, md.log file(s) in nacl for nacl 377s Testing nbnxn-energy-groups . . . gmx_mpi grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-energy-groups/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-energy-groups/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-energy-groups/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-energy-groups/topol -maxwarn 10 >grompp.out 2>grompp.err 377s gmx_mpi check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-energy-groups/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 377s mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-energy-groups gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1 377s 377s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-energy-groups gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1' was -1 377s FAILED. Check mdrun.out, md.log file(s) in nbnxn-energy-groups for nbnxn-energy-groups 377s Testing nbnxn-free-energy . . . gmx_mpi grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-free-energy/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-free-energy/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-free-energy/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-free-energy/topol -maxwarn 10 >grompp.out 2>grompp.err 377s gmx_mpi check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-free-energy/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 377s mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-free-energy gmx_mpi mdrun -notunepme >mdrun.out 2>&1 377s 377s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-free-energy gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 377s FAILED. Check mdrun.out, md.log file(s) in nbnxn-free-energy for nbnxn-free-energy 377s Testing nbnxn-free-energy-vv . . . gmx_mpi grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-free-energy-vv/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-free-energy-vv/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-free-energy-vv/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-free-energy-vv/topol -maxwarn 10 >grompp.out 2>grompp.err 377s gmx_mpi check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-free-energy-vv/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 377s mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-free-energy-vv gmx_mpi mdrun -notunepme >mdrun.out 2>&1 377s 377s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-free-energy-vv gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 377s FAILED. Check mdrun.out, md.log file(s) in nbnxn-free-energy-vv for nbnxn-free-energy-vv 377s Testing nbnxn-ljpme-geometric . . . gmx_mpi grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-ljpme-geometric/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-ljpme-geometric/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-ljpme-geometric/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-ljpme-geometric/topol -maxwarn 10 >grompp.out 2>grompp.err 377s gmx_mpi check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-ljpme-geometric/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 378s mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-ljpme-geometric gmx_mpi mdrun -notunepme >mdrun.out 2>&1 378s 378s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-ljpme-geometric gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 378s FAILED. Check mdrun.out, md.log file(s) in nbnxn-ljpme-geometric for nbnxn-ljpme-geometric 378s Testing nbnxn-ljpme-LB . . . gmx_mpi grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-ljpme-LB/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-ljpme-LB/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-ljpme-LB/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-ljpme-LB/topol -maxwarn 10 >grompp.out 2>grompp.err 378s gmx_mpi check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-ljpme-LB/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 378s mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-ljpme-LB gmx_mpi mdrun -notunepme >mdrun.out 2>&1 378s 378s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-ljpme-LB gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 378s FAILED. Check mdrun.out, md.log file(s) in nbnxn-ljpme-LB for nbnxn-ljpme-LB 378s Testing nbnxn-ljpme-LB-geometric . . . gmx_mpi grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/topol -maxwarn 10 >grompp.out 2>grompp.err 378s gmx_mpi check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 378s mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-ljpme-LB-geometric gmx_mpi mdrun -notunepme >mdrun.out 2>&1 378s 378s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-ljpme-LB-geometric gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 378s FAILED. Check mdrun.out, md.log file(s) in nbnxn-ljpme-LB-geometric for nbnxn-ljpme-LB-geometric 378s Testing nbnxn-vdw-force-switch . . . gmx_mpi grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-vdw-force-switch/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-vdw-force-switch/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-vdw-force-switch/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-vdw-force-switch/topol -maxwarn 10 >grompp.out 2>grompp.err 378s gmx_mpi check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-vdw-force-switch/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 378s mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-vdw-force-switch gmx_mpi mdrun -notunepme >mdrun.out 2>&1 378s 378s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-vdw-force-switch gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 378s FAILED. Check mdrun.out, md.log file(s) in nbnxn-vdw-force-switch for nbnxn-vdw-force-switch 378s Testing nbnxn-vdw-potential-switch . . . gmx_mpi grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-vdw-potential-switch/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-vdw-potential-switch/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-vdw-potential-switch/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-vdw-potential-switch/topol -maxwarn 10 >grompp.out 2>grompp.err 378s gmx_mpi check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-vdw-potential-switch/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 378s mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-vdw-potential-switch gmx_mpi mdrun -notunepme >mdrun.out 2>&1 378s 378s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-vdw-potential-switch gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 378s FAILED. Check mdrun.out, md.log file(s) in nbnxn-vdw-potential-switch for nbnxn-vdw-potential-switch 378s Testing nbnxn-vdw-potential-switch-argon . . . gmx_mpi grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/topol -maxwarn 10 >grompp.out 2>grompp.err 378s gmx_mpi check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 378s mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon gmx_mpi mdrun -notunepme >mdrun.out 2>&1 378s 378s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 378s FAILED. Check mdrun.out, md.log file(s) in nbnxn-vdw-potential-switch-argon for nbnxn-vdw-potential-switch-argon 378s Testing nbnxn_pme . . . gmx_mpi grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_pme/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_pme/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_pme/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_pme/topol -maxwarn 10 >grompp.out 2>grompp.err 378s gmx_mpi check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_pme/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 378s mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_pme gmx_mpi mdrun -notunepme >mdrun.out 2>&1 378s 378s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_pme gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 378s FAILED. Check mdrun.out, md.log file(s) in nbnxn_pme for nbnxn_pme 378s Testing nbnxn_pme_order5 . . . gmx_mpi grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_pme_order5/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_pme_order5/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_pme_order5/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_pme_order5/topol -maxwarn 10 >grompp.out 2>grompp.err 378s gmx_mpi check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_pme_order5/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 378s mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_pme_order5 gmx_mpi mdrun -notunepme >mdrun.out 2>&1 378s 378s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_pme_order5 gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 378s FAILED. Check mdrun.out, md.log file(s) in nbnxn_pme_order5 for nbnxn_pme_order5 378s Testing nbnxn_pme_order6 . . . gmx_mpi grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_pme_order6/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_pme_order6/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_pme_order6/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_pme_order6/topol -maxwarn 10 >grompp.out 2>grompp.err 378s gmx_mpi check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_pme_order6/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 378s mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_pme_order6 gmx_mpi mdrun -notunepme >mdrun.out 2>&1 378s 378s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_pme_order6 gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 378s FAILED. Check mdrun.out, md.log file(s) in nbnxn_pme_order6 for nbnxn_pme_order6 378s Testing nbnxn_rf . . . gmx_mpi grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_rf/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_rf/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_rf/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_rf/topol -maxwarn 10 >grompp.out 2>grompp.err 379s gmx_mpi check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_rf/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 379s mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_rf gmx_mpi mdrun -notunepme >mdrun.out 2>&1 379s 379s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_rf gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 379s FAILED. Check mdrun.out, md.log file(s) in nbnxn_rf for nbnxn_rf 379s Testing nbnxn_rzero . . . gmx_mpi grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_rzero/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_rzero/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_rzero/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_rzero/topol -maxwarn 10 >grompp.out 2>grompp.err 379s gmx_mpi check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_rzero/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 379s mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_rzero gmx_mpi mdrun -notunepme >mdrun.out 2>&1 379s 379s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_rzero gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 379s FAILED. Check mdrun.out, md.log file(s) in nbnxn_rzero for nbnxn_rzero 379s Testing nbnxn_vsite . . . gmx_mpi grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_vsite/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_vsite/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_vsite/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_vsite/topol -maxwarn 10 >grompp.out 2>grompp.err 379s gmx_mpi check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_vsite/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 379s mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_vsite gmx_mpi mdrun -notunepme >mdrun.out 2>&1 379s 379s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nbnxn_vsite gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 379s FAILED. Check mdrun.out, md.log file(s) in nbnxn_vsite for nbnxn_vsite 379s Testing nst_mismatch . . . gmx_mpi grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nst_mismatch/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nst_mismatch/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nst_mismatch/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nst_mismatch/topol -maxwarn 10 >grompp.out 2>grompp.err 379s gmx_mpi check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nst_mismatch/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 379s mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nst_mismatch gmx_mpi mdrun -notunepme >mdrun.out 2>&1 379s 379s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/nst_mismatch gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 379s FAILED. Check mdrun.out, md.log file(s) in nst_mismatch for nst_mismatch 379s Testing octahedron . . . gmx_mpi grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/octahedron/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/octahedron/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/octahedron/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/octahedron/topol -maxwarn 10 >grompp.out 2>grompp.err 379s gmx_mpi check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/octahedron/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 379s mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/octahedron gmx_mpi mdrun -notunepme >mdrun.out 2>&1 379s 379s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/octahedron gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 379s FAILED. Check mdrun.out, md.log file(s) in octahedron for octahedron 379s Testing orientation-restraints . . . gmx_mpi grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/orientation-restraints/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/orientation-restraints/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/orientation-restraints/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/orientation-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 379s gmx_mpi check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/orientation-restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 379s mpirun -np 1 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/orientation-restraints gmx_mpi mdrun -notunepme >mdrun.out 2>&1 385s gmx_mpi check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/orientation-restraints/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 385s gmx_mpi check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/orientation-restraints/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 385s PASSED but check mdp file differences 385s Testing position-restraints . . . gmx_mpi grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/position-restraints/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/position-restraints/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/position-restraints/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/position-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 385s gmx_mpi check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/position-restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 385s mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/position-restraints gmx_mpi mdrun -notunepme >mdrun.out 2>&1 385s 385s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/position-restraints gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 385s FAILED. Check mdrun.out, md.log file(s) in position-restraints for position-restraints 385s Testing pr-vrescale . . . gmx_mpi grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pr-vrescale/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pr-vrescale/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pr-vrescale/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pr-vrescale/topol -maxwarn 10 >grompp.out 2>grompp.err 385s gmx_mpi check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pr-vrescale/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 385s mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pr-vrescale gmx_mpi mdrun -notunepme >mdrun.out 2>&1 385s 385s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pr-vrescale gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 385s FAILED. Check mdrun.out, md.log file(s) in pr-vrescale for pr-vrescale 385s Testing pull_constraint . . . gmx_mpi grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_constraint/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_constraint/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_constraint/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_constraint/topol -maxwarn 10 -n /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_constraint/index >grompp.out 2>grompp.err 385s gmx_mpi check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_constraint/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 385s mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_constraint gmx_mpi mdrun -notunepme >mdrun.out 2>&1 385s 385s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_constraint gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 385s FAILED. Check mdrun.out, md.log file(s) in pull_constraint for pull_constraint 385s Testing pull_cylinder . . . gmx_mpi grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_cylinder/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_cylinder/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_cylinder/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_cylinder/topol -maxwarn 10 -n /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_cylinder/index >grompp.out 2>grompp.err 385s gmx_mpi check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_cylinder/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 385s mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_cylinder gmx_mpi mdrun -notunepme >mdrun.out 2>&1 385s 385s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_cylinder gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 385s FAILED. Check mdrun.out, md.log file(s) in pull_cylinder for pull_cylinder 385s Testing pull_geometry_angle . . . gmx_mpi grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_geometry_angle/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_geometry_angle/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_geometry_angle/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_geometry_angle/topol -maxwarn 10 -n /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_geometry_angle/index >grompp.out 2>grompp.err 385s gmx_mpi check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_geometry_angle/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 385s mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_geometry_angle gmx_mpi mdrun -notunepme >mdrun.out 2>&1 385s 385s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_geometry_angle gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 385s FAILED. Check mdrun.out, md.log file(s) in pull_geometry_angle for pull_geometry_angle 385s Testing pull_geometry_angle-axis . . . gmx_mpi grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_geometry_angle-axis/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_geometry_angle-axis/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_geometry_angle-axis/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_geometry_angle-axis/topol -maxwarn 10 -n /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_geometry_angle-axis/index >grompp.out 2>grompp.err 385s gmx_mpi check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_geometry_angle-axis/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 386s mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_geometry_angle-axis gmx_mpi mdrun -notunepme >mdrun.out 2>&1 386s 386s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_geometry_angle-axis gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 386s FAILED. Check mdrun.out, md.log file(s) in pull_geometry_angle-axis for pull_geometry_angle-axis 386s Testing pull_geometry_dihedral . . . gmx_mpi grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_geometry_dihedral/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_geometry_dihedral/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_geometry_dihedral/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_geometry_dihedral/topol -maxwarn 10 -n /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_geometry_dihedral/index >grompp.out 2>grompp.err 386s gmx_mpi check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_geometry_dihedral/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 386s mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_geometry_dihedral gmx_mpi mdrun -notunepme >mdrun.out 2>&1 386s 386s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/pull_geometry_dihedral gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 386s FAILED. Check mdrun.out, md.log file(s) in pull_geometry_dihedral for pull_geometry_dihedral 386s Testing reb . . . gmx_mpi grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/reb/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/reb/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/reb/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/reb/topol -maxwarn 10 >grompp.out 2>grompp.err 386s gmx_mpi check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/reb/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 386s mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/reb gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1 386s 386s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/reb gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1' was -1 386s FAILED. Check mdrun.out, md.log file(s) in reb for reb 386s Testing sw . . . gmx_mpi grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/sw/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/sw/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/sw/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/sw/topol -maxwarn 10 >grompp.out 2>grompp.err 386s gmx_mpi check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/sw/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 386s mpirun -np 1 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/sw gmx_mpi mdrun -notunepme >mdrun.out 2>&1 388s gmx_mpi check -e /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/sw/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 388s gmx_mpi check -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/sw/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 388s PASSED but check mdp file differences 388s Testing swap_x . . . gmx_mpi grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/swap_x/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/swap_x/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/swap_x/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/swap_x/topol -maxwarn 10 -n /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/swap_x/index >grompp.out 2>grompp.err 389s gmx_mpi check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/swap_x/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 389s mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/swap_x gmx_mpi mdrun -notunepme >mdrun.out 2>&1 389s 389s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/swap_x gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 389s FAILED. Check mdrun.out, md.log file(s) in swap_x for swap_x 389s Testing swap_y . . . gmx_mpi grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/swap_y/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/swap_y/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/swap_y/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/swap_y/topol -maxwarn 10 -n /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/swap_y/index >grompp.out 2>grompp.err 389s gmx_mpi check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/swap_y/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 389s mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/swap_y gmx_mpi mdrun -notunepme >mdrun.out 2>&1 389s 389s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/swap_y gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 389s FAILED. Check mdrun.out, md.log file(s) in swap_y for swap_y 389s Testing swap_z . . . gmx_mpi grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/swap_z/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/swap_z/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/swap_z/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/swap_z/topol -maxwarn 10 -n /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/swap_z/index >grompp.out 2>grompp.err 389s gmx_mpi check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/swap_z/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 390s mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/swap_z gmx_mpi mdrun -notunepme >mdrun.out 2>&1 390s 390s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/swap_z gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 390s FAILED. Check mdrun.out, md.log file(s) in swap_z for swap_z 390s Testing tip4p . . . gmx_mpi grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/tip4p/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/tip4p/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/tip4p/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/tip4p/topol -maxwarn 10 >grompp.out 2>grompp.err 390s gmx_mpi check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/tip4p/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 390s mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/tip4p gmx_mpi mdrun -notunepme >mdrun.out 2>&1 390s 390s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/tip4p gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 390s FAILED. Check mdrun.out, md.log file(s) in tip4p for tip4p 390s Testing tip4p_continue . . . gmx_mpi grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/tip4p_continue/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/tip4p_continue/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/tip4p_continue/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/tip4p_continue/topol -maxwarn 10 >grompp.out 2>grompp.err 390s gmx_mpi check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/tip4p_continue/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 390s mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/tip4p_continue gmx_mpi mdrun -notunepme -cpi /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/tip4p_continue/continue -noappend >mdrun.out 2>&1 390s 390s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/tip4p_continue gmx_mpi mdrun -notunepme -cpi /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/tip4p_continue/continue -noappend >mdrun.out 2>&1' was -1 390s FAILED. Check mdrun.out, md.log file(s) in tip4p_continue for tip4p_continue 390s Testing tip4pflex . . . gmx_mpi grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/tip4pflex/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/tip4pflex/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/tip4pflex/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/tip4pflex/topol -maxwarn 10 >grompp.out 2>grompp.err 390s gmx_mpi check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/tip4pflex/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 390s mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/tip4pflex gmx_mpi mdrun -notunepme >mdrun.out 2>&1 390s 390s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/tip4pflex gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 390s FAILED. Check mdrun.out, md.log file(s) in tip4pflex for tip4pflex 390s Testing urea . . . gmx_mpi grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/urea/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/urea/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/urea/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/urea/topol -maxwarn 10 >grompp.out 2>grompp.err 390s gmx_mpi check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/urea/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 390s mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/urea gmx_mpi mdrun -notunepme >mdrun.out 2>&1 390s 390s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/urea gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 390s FAILED. Check mdrun.out, md.log file(s) in urea for urea 390s Testing walls . . . gmx_mpi grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/walls/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/walls/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/walls/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/walls/topol -maxwarn 10 >grompp.out 2>grompp.err 390s gmx_mpi check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/walls/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 390s mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/walls gmx_mpi mdrun -notunepme >mdrun.out 2>&1 391s 391s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/complex/walls gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 391s FAILED. Check mdrun.out, md.log file(s) in walls for walls 391s 45 out of 48 complex tests FAILED 391s Testing coulandvdwsequential_coul . . . gmx_mpi grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/coulandvdwsequential_coul/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/coulandvdwsequential_coul/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/coulandvdwsequential_coul/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/coulandvdwsequential_coul/topol -maxwarn 10 >grompp.out 2>grompp.err 391s gmx_mpi check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/coulandvdwsequential_coul/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 391s mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/coulandvdwsequential_coul gmx_mpi mdrun -notunepme >mdrun.out 2>&1 391s 391s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/coulandvdwsequential_coul gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 391s FAILED. Check mdrun.out, md.log file(s) in coulandvdwsequential_coul for coulandvdwsequential_coul 391s Testing coulandvdwsequential_vdw . . . gmx_mpi grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/coulandvdwsequential_vdw/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/coulandvdwsequential_vdw/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/coulandvdwsequential_vdw/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/coulandvdwsequential_vdw/topol -maxwarn 10 >grompp.out 2>grompp.err 391s gmx_mpi check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/coulandvdwsequential_vdw/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 391s mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/coulandvdwsequential_vdw gmx_mpi mdrun -notunepme >mdrun.out 2>&1 391s 391s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/coulandvdwsequential_vdw gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 391s FAILED. Check mdrun.out, md.log file(s) in coulandvdwsequential_vdw for coulandvdwsequential_vdw 391s Testing coulandvdwtogether . . . gmx_mpi grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/coulandvdwtogether/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/coulandvdwtogether/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/coulandvdwtogether/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/coulandvdwtogether/topol -maxwarn 10 >grompp.out 2>grompp.err 391s gmx_mpi check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/coulandvdwtogether/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 391s mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/coulandvdwtogether gmx_mpi mdrun -notunepme >mdrun.out 2>&1 391s 391s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/coulandvdwtogether gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 391s FAILED. Check mdrun.out, md.log file(s) in coulandvdwtogether for coulandvdwtogether 391s Testing expanded . . . gmx_mpi grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/expanded/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/expanded/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/expanded/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/expanded/topol -maxwarn 10 >grompp.out 2>grompp.err 391s gmx_mpi check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/expanded/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 391s mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/expanded gmx_mpi mdrun -notunepme >mdrun.out 2>&1 391s 391s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/expanded gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 391s FAILED. Check mdrun.out, md.log file(s) in expanded for expanded 391s Testing relative . . . gmx_mpi grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/relative/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/relative/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/relative/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/relative/topol -maxwarn 10 >grompp.out 2>grompp.err 391s gmx_mpi check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/relative/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 392s mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/relative gmx_mpi mdrun -notunepme >mdrun.out 2>&1 392s 392s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/relative gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 392s FAILED. Check mdrun.out, md.log file(s) in relative for relative 392s Testing relative-position-restraints . . . gmx_mpi grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/relative-position-restraints/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/relative-position-restraints/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/relative-position-restraints/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/relative-position-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 392s gmx_mpi check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/relative-position-restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 392s mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/relative-position-restraints gmx_mpi mdrun -notunepme >mdrun.out 2>&1 392s 392s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/relative-position-restraints gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 392s FAILED. Check mdrun.out, md.log file(s) in relative-position-restraints for relative-position-restraints 392s Testing restraints . . . gmx_mpi grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/restraints/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/restraints/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/restraints/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 392s gmx_mpi check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 392s mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/restraints gmx_mpi mdrun -notunepme >mdrun.out 2>&1 392s 392s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/restraints gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 392s FAILED. Check mdrun.out, md.log file(s) in restraints for restraints 392s Testing simtemp . . . gmx_mpi grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/simtemp/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/simtemp/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/simtemp/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/simtemp/topol -maxwarn 10 >grompp.out 2>grompp.err 392s gmx_mpi check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/simtemp/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 392s mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/simtemp gmx_mpi mdrun -notunepme >mdrun.out 2>&1 392s 392s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/simtemp gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 392s FAILED. Check mdrun.out, md.log file(s) in simtemp for simtemp 392s Testing transformAtoB . . . gmx_mpi grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/transformAtoB/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/transformAtoB/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/transformAtoB/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/transformAtoB/topol -maxwarn 10 >grompp.out 2>grompp.err 392s gmx_mpi check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/transformAtoB/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 392s mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/transformAtoB gmx_mpi mdrun -notunepme >mdrun.out 2>&1 392s 392s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/transformAtoB gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 392s FAILED. Check mdrun.out, md.log file(s) in transformAtoB for transformAtoB 392s Testing vdwalone . . . gmx_mpi grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/vdwalone/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/vdwalone/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/vdwalone/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/vdwalone/topol -maxwarn 10 >grompp.out 2>grompp.err 392s gmx_mpi check -s1 /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/vdwalone/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 392s mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/vdwalone gmx_mpi mdrun -notunepme >mdrun.out 2>&1 392s 392s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/freeenergy/vdwalone gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 392s FAILED. Check mdrun.out, md.log file(s) in vdwalone for vdwalone 392s 10 out of 10 freeenergy tests FAILED 392s All 0 extra tests PASSED 392s Testing linfix . . . 392s gmx_mpi grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/linfix/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/linfix/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/linfix/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/linfix/topol -maxwarn 2 >grompp.out 2>grompp.err 392s echo 0 | gmx_mpi make_edi -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/linfix/eigenvec.trr -outfrq 1 -linfix 1 -linstep 0.0013 -o sam.edi 1>make_edi.out 2>make_edi.err 392s mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/linfix gmx_mpi mdrun -ei sam.edi -eo linfix.xvg >mdrun.out 2>&1 392s 392s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/linfix gmx_mpi mdrun -ei sam.edi -eo linfix.xvg >mdrun.out 2>&1' was -1 392s Testing linacc . . . 392s gmx_mpi grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/linacc/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/linacc/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/linacc/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/linacc/topol -maxwarn 2 >grompp.out 2>grompp.err 392s echo 0 | gmx_mpi make_edi -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/linacc/eigenvec.trr -outfrq 2 -linacc 1 -accdir +1 -o sam.edi 1>make_edi.out 2>make_edi.err 392s mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/linacc gmx_mpi mdrun -ei sam.edi -eo linacc.xvg >mdrun.out 2>&1 392s 392s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/linacc gmx_mpi mdrun -ei sam.edi -eo linacc.xvg >mdrun.out 2>&1' was -1 392s Testing radfix . . . 392s gmx_mpi grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/radfix/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/radfix/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/radfix/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/radfix/topol -maxwarn 2 >grompp.out 2>grompp.err 393s echo 0 | gmx_mpi make_edi -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/radfix/eigenvec.trr -outfrq 1 -radfix 1-2 -radstep 0.002 -o sam.edi 1>make_edi.out 2>make_edi.err 393s mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/radfix gmx_mpi mdrun -ei sam.edi -eo radfix.xvg >mdrun.out 2>&1 393s 393s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/radfix gmx_mpi mdrun -ei sam.edi -eo radfix.xvg >mdrun.out 2>&1' was -1 393s Testing radacc . . . 393s gmx_mpi grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/radacc/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/radacc/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/radacc/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/radacc/topol -maxwarn 2 >grompp.out 2>grompp.err 393s echo 0 | gmx_mpi make_edi -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/radacc/eigenvec.trr -outfrq 3 -radacc 1-2 -o sam.edi 1>make_edi.out 2>make_edi.err 393s mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/radacc gmx_mpi mdrun -ei sam.edi -eo radacc.xvg >mdrun.out 2>&1 393s 393s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/radacc gmx_mpi mdrun -ei sam.edi -eo radacc.xvg >mdrun.out 2>&1' was -1 393s Testing radcon . . . 393s gmx_mpi grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/radcon/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/radcon/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/radcon/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/radcon/topol -maxwarn 2 >grompp.out 2>grompp.err 393s echo 0 0 | gmx_mpi make_edi -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/radcon/eigenvec.trr -outfrq 1 -radcon 1-2 -tar /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/radcon/target.pdb -o sam.edi 1>make_edi.out 2>make_edi.err 393s mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/radcon gmx_mpi mdrun -ei sam.edi -eo radcon.xvg >mdrun.out 2>&1 393s 393s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/radcon gmx_mpi mdrun -ei sam.edi -eo radcon.xvg >mdrun.out 2>&1' was -1 393s Testing flooding1 . . . 393s gmx_mpi grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/flooding1/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/flooding1/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/flooding1/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/flooding1/topol -maxwarn 2 >grompp.out 2>grompp.err 393s mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/flooding1 gmx_mpi mdrun -ei /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/flooding1/sam.edi -eo flooding1.xvg >mdrun.out 2>&1 393s 393s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/flooding1 gmx_mpi mdrun -ei /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/flooding1/sam.edi -eo flooding1.xvg >mdrun.out 2>&1' was -1 393s Testing flooding2 . . . 393s gmx_mpi grompp -f /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/flooding2/grompp.mdp -c /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/flooding2/conf -r /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/flooding2/conf -p /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/flooding2/topol -maxwarn 2 >grompp.out 2>grompp.err 393s mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/flooding2 gmx_mpi mdrun -ei /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/flooding2/sam.edi -eo flooding2.xvg >mdrun.out 2>&1 393s 393s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/flooding2 gmx_mpi mdrun -ei /tmp/autopkgtest.QBNs6j/build.H6c/src/regressiontests/essentialdynamics/flooding2/sam.edi -eo flooding2.xvg >mdrun.out 2>&1' was -1 393s Essential dynamics tests FAILED with 7 errors! 394s autopkgtest [22:29:33]: test gromacs-regressiontests: -----------------------] 394s autopkgtest [22:29:33]: test gromacs-regressiontests: - - - - - - - - - - results - - - - - - - - - - 394s gromacs-regressiontests FAIL non-zero exit status 1 395s autopkgtest [22:29:34]: @@@@@@@@@@@@@@@@@@@@ summary 395s gromacs-regressiontests FAIL non-zero exit status 1 406s virt: nova [W] Using flock in prodstack6-ppc64el 406s virt: Creating nova instance adt-plucky-ppc64el-gromacs-20241123-222259-juju-7f2275-prod-proposed-migration-environment-2-48080dbf-f5ad-49eb-ba52-704550bcf692 from image adt/ubuntu-plucky-ppc64el-server-20241119.img (UUID dcc6a44c-21fb-45bb-821a-d64a8784c175)...