0s autopkgtest [22:15:39]: starting date and time: 2025-02-15 22:15:39+0000 0s autopkgtest [22:15:39]: git checkout: 325255d2 Merge branch 'pin-any-arch' into 'ubuntu/production' 0s autopkgtest [22:15:39]: host juju-7f2275-prod-proposed-migration-environment-20; command line: /home/ubuntu/autopkgtest/runner/autopkgtest --output-dir /tmp/autopkgtest-work.lwcy7dek/out --timeout-copy=6000 --setup-commands /home/ubuntu/autopkgtest-cloud/worker-config-production/setup-canonical.sh --apt-pocket=proposed=src:glibc,src:iproute2,src:php-twig,src:postgresql-17,src:postgresql-common,src:roundcube --apt-upgrade gromacs --timeout-short=300 --timeout-copy=20000 --timeout-build=20000 '--env=ADT_TEST_TRIGGERS=glibc/2.41-1ubuntu1 iproute2/6.13.0-1ubuntu1 php-twig/3.19.0-1 postgresql-17/17.3-2 postgresql-common/273 roundcube/1.6.10+dfsg-1' -- ssh -s /home/ubuntu/autopkgtest/ssh-setup/nova -- --flavor autopkgtest-ppc64el --security-groups autopkgtest-juju-7f2275-prod-proposed-migration-environment-20@bos03-ppc64el-7.secgroup --name adt-plucky-ppc64el-gromacs-20250215-221539-juju-7f2275-prod-proposed-migration-environment-20-e2afdfda-bb35-48e5-92df-c320c25b347e --image adt/ubuntu-plucky-ppc64el-server --keyname testbed-juju-7f2275-prod-proposed-migration-environment-20 --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,radosgw.ps5.canonical.com'"'"'' --mirror=http://ftpmaster.internal/ubuntu/ 76s autopkgtest [22:16:55]: testbed dpkg architecture: ppc64el 76s autopkgtest [22:16:55]: testbed apt version: 2.9.28 76s autopkgtest [22:16:55]: @@@@@@@@@@@@@@@@@@@@ test bed setup 77s autopkgtest [22:16:56]: testbed release detected to be: None 77s autopkgtest [22:16:56]: updating testbed package index (apt update) 78s Get:1 http://ftpmaster.internal/ubuntu plucky-proposed InRelease [110 kB] 78s Hit:2 http://ftpmaster.internal/ubuntu plucky InRelease 78s Hit:3 http://ftpmaster.internal/ubuntu plucky-updates InRelease 78s Hit:4 http://ftpmaster.internal/ubuntu plucky-security InRelease 78s Get:5 http://ftpmaster.internal/ubuntu plucky-proposed/universe Sources [828 kB] 78s Get:6 http://ftpmaster.internal/ubuntu plucky-proposed/main Sources [74.3 kB] 78s Get:7 http://ftpmaster.internal/ubuntu plucky-proposed/multiverse Sources [13.1 kB] 78s Get:8 http://ftpmaster.internal/ubuntu plucky-proposed/restricted Sources [3120 B] 78s Get:9 http://ftpmaster.internal/ubuntu plucky-proposed/main ppc64el Packages [165 kB] 78s Get:10 http://ftpmaster.internal/ubuntu plucky-proposed/restricted ppc64el Packages [760 B] 78s Get:11 http://ftpmaster.internal/ubuntu plucky-proposed/universe ppc64el Packages [922 kB] 78s Get:12 http://ftpmaster.internal/ubuntu plucky-proposed/multiverse ppc64el Packages [4228 B] 79s Fetched 2121 kB in 1s (1845 kB/s) 80s Reading package lists... 80s Reading package lists... 81s Building dependency tree... 81s Reading state information... 81s Calculating upgrade... 81s The following packages will be upgraded: 81s dash gcc-14-base libatomic1 libgcc-s1 libstdc++6 libtasn1-6 libxdmcp6 81s 7 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. 81s Need to get 1171 kB of archives. 81s After this operation, 15.4 kB of additional disk space will be used. 81s Get:1 http://ftpmaster.internal/ubuntu plucky/main ppc64el dash ppc64el 0.5.12-12ubuntu1 [114 kB] 82s Get:2 http://ftpmaster.internal/ubuntu plucky/main ppc64el libatomic1 ppc64el 14.2.0-17ubuntu1 [10.7 kB] 82s Get:3 http://ftpmaster.internal/ubuntu plucky/main ppc64el gcc-14-base ppc64el 14.2.0-17ubuntu1 [53.6 kB] 82s Get:4 http://ftpmaster.internal/ubuntu plucky/main ppc64el libstdc++6 ppc64el 14.2.0-17ubuntu1 [886 kB] 82s Get:5 http://ftpmaster.internal/ubuntu plucky/main ppc64el libgcc-s1 ppc64el 14.2.0-17ubuntu1 [39.2 kB] 82s Get:6 http://ftpmaster.internal/ubuntu plucky/main ppc64el libtasn1-6 ppc64el 4.20.0-2 [55.9 kB] 82s Get:7 http://ftpmaster.internal/ubuntu plucky/main ppc64el libxdmcp6 ppc64el 1:1.1.5-1 [11.6 kB] 82s Preconfiguring packages ... 82s Fetched 1171 kB in 1s (1504 kB/s) 83s (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 ... 106311 files and directories currently installed.) 83s Preparing to unpack .../dash_0.5.12-12ubuntu1_ppc64el.deb ... 83s Unpacking dash (0.5.12-12ubuntu1) over (0.5.12-9ubuntu1) ... 83s Setting up dash (0.5.12-12ubuntu1) ... 83s (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 ... 106311 files and directories currently installed.) 83s Preparing to unpack .../libatomic1_14.2.0-17ubuntu1_ppc64el.deb ... 83s Unpacking libatomic1:ppc64el (14.2.0-17ubuntu1) over (14.2.0-16ubuntu1) ... 83s Preparing to unpack .../gcc-14-base_14.2.0-17ubuntu1_ppc64el.deb ... 83s Unpacking gcc-14-base:ppc64el (14.2.0-17ubuntu1) over (14.2.0-16ubuntu1) ... 83s Setting up gcc-14-base:ppc64el (14.2.0-17ubuntu1) ... 83s (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 ... 106311 files and directories currently installed.) 83s Preparing to unpack .../libstdc++6_14.2.0-17ubuntu1_ppc64el.deb ... 83s Unpacking libstdc++6:ppc64el (14.2.0-17ubuntu1) over (14.2.0-16ubuntu1) ... 83s Setting up libstdc++6:ppc64el (14.2.0-17ubuntu1) ... 83s (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 ... 106311 files and directories currently installed.) 83s Preparing to unpack .../libgcc-s1_14.2.0-17ubuntu1_ppc64el.deb ... 83s Unpacking libgcc-s1:ppc64el (14.2.0-17ubuntu1) over (14.2.0-16ubuntu1) ... 83s Setting up libgcc-s1:ppc64el (14.2.0-17ubuntu1) ... 83s (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 ... 106311 files and directories currently installed.) 83s Preparing to unpack .../libtasn1-6_4.20.0-2_ppc64el.deb ... 83s Unpacking libtasn1-6:ppc64el (4.20.0-2) over (4.19.0-3build1) ... 83s Preparing to unpack .../libxdmcp6_1%3a1.1.5-1_ppc64el.deb ... 83s Unpacking libxdmcp6:ppc64el (1:1.1.5-1) over (1:1.1.3-0ubuntu6) ... 83s Setting up libxdmcp6:ppc64el (1:1.1.5-1) ... 83s Setting up libatomic1:ppc64el (14.2.0-17ubuntu1) ... 83s Setting up libtasn1-6:ppc64el (4.20.0-2) ... 83s Processing triggers for libc-bin (2.40-4ubuntu1) ... 83s Processing triggers for man-db (2.13.0-1) ... 84s Processing triggers for debianutils (5.21) ... 84s Reading package lists... 84s Building dependency tree... 84s Reading state information... 84s 0 upgraded, 0 newly installed, 0 to remove and 6 not upgraded. 84s autopkgtest [22:17:03]: upgrading testbed (apt dist-upgrade and autopurge) 85s Reading package lists... 85s Building dependency tree... 85s Reading state information... 85s Calculating upgrade...Starting pkgProblemResolver with broken count: 0 85s Starting 2 pkgProblemResolver with broken count: 0 85s Done 86s Entering ResolveByKeep 86s 86s The following packages will be upgraded: 86s iproute2 libc-bin libc-dev-bin libc6 libc6-dev locales 86s 6 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. 86s Need to get 11.7 MB of archives. 86s After this operation, 358 kB of additional disk space will be used. 86s Get:1 http://ftpmaster.internal/ubuntu plucky-proposed/main ppc64el libc-dev-bin ppc64el 2.41-1ubuntu1 [25.3 kB] 87s Get:2 http://ftpmaster.internal/ubuntu plucky-proposed/main ppc64el libc6-dev ppc64el 2.41-1ubuntu1 [2046 kB] 87s Get:3 http://ftpmaster.internal/ubuntu plucky-proposed/main ppc64el locales all 2.41-1ubuntu1 [4246 kB] 87s Get:4 http://ftpmaster.internal/ubuntu plucky-proposed/main ppc64el libc6 ppc64el 2.41-1ubuntu1 [3243 kB] 87s Get:5 http://ftpmaster.internal/ubuntu plucky-proposed/main ppc64el libc-bin ppc64el 2.41-1ubuntu1 [742 kB] 87s Get:6 http://ftpmaster.internal/ubuntu plucky-proposed/main ppc64el iproute2 ppc64el 6.13.0-1ubuntu1 [1419 kB] 88s Preconfiguring packages ... 88s Fetched 11.7 MB in 1s (10.1 MB/s) 88s (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 ... 106311 files and directories currently installed.) 88s Preparing to unpack .../libc-dev-bin_2.41-1ubuntu1_ppc64el.deb ... 88s Unpacking libc-dev-bin (2.41-1ubuntu1) over (2.40-4ubuntu1) ... 88s Preparing to unpack .../libc6-dev_2.41-1ubuntu1_ppc64el.deb ... 88s Unpacking libc6-dev:ppc64el (2.41-1ubuntu1) over (2.40-4ubuntu1) ... 88s Preparing to unpack .../locales_2.41-1ubuntu1_all.deb ... 88s Unpacking locales (2.41-1ubuntu1) over (2.40-4ubuntu1) ... 88s Preparing to unpack .../libc6_2.41-1ubuntu1_ppc64el.deb ... 88s Checking for services that may need to be restarted... 88s Checking init scripts... 89s Checking for services that may need to be restarted... 89s Checking init scripts... 89s Stopping some services possibly affected by the upgrade (will be restarted later): 89s cron: stopping...done. 89s 89s Unpacking libc6:ppc64el (2.41-1ubuntu1) over (2.40-4ubuntu1) ... 89s Setting up libc6:ppc64el (2.41-1ubuntu1) ... 89s Checking for services that may need to be restarted... 89s Checking init scripts... 89s Restarting services possibly affected by the upgrade: 89s cron: restarting...done. 89s 89s Services restarted successfully. 89s (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 ... 106312 files and directories currently installed.) 89s Preparing to unpack .../libc-bin_2.41-1ubuntu1_ppc64el.deb ... 89s Unpacking libc-bin (2.41-1ubuntu1) over (2.40-4ubuntu1) ... 89s Setting up libc-bin (2.41-1ubuntu1) ... 90s (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 ... 106312 files and directories currently installed.) 90s Preparing to unpack .../iproute2_6.13.0-1ubuntu1_ppc64el.deb ... 90s Unpacking iproute2 (6.13.0-1ubuntu1) over (6.10.0-2ubuntu1) ... 90s Setting up iproute2 (6.13.0-1ubuntu1) ... 90s Setting up locales (2.41-1ubuntu1) ... 90s Installing new version of config file /etc/locale.alias ... 91s Generating locales (this might take a while)... 92s en_US.UTF-8... done 92s Generation complete. 92s Setting up libc-dev-bin (2.41-1ubuntu1) ... 92s Setting up libc6-dev:ppc64el (2.41-1ubuntu1) ... 92s Processing triggers for man-db (2.13.0-1) ... 93s Processing triggers for systemd (257.2-3ubuntu1) ... 94s Reading package lists... 94s Building dependency tree... 94s Reading state information... 95s Starting pkgProblemResolver with broken count: 0 95s Starting 2 pkgProblemResolver with broken count: 0 95s Done 95s 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. 98s autopkgtest [22:17:17]: testbed running kernel: Linux 6.12.0-15-generic #15-Ubuntu SMP Tue Feb 4 16:32:08 UTC 2025 98s autopkgtest [22:17:17]: @@@@@@@@@@@@@@@@@@@@ apt-source gromacs 108s Get:1 http://ftpmaster.internal/ubuntu plucky/universe gromacs 2025.0-1 (dsc) [3275 B] 108s Get:2 http://ftpmaster.internal/ubuntu plucky/universe gromacs 2025.0-1 (tar) [32.7 MB] 108s Get:3 http://ftpmaster.internal/ubuntu plucky/universe gromacs 2025.0-1 (tar) [44.4 MB] 108s Get:4 http://ftpmaster.internal/ubuntu plucky/universe gromacs 2025.0-1 (diff) [37.0 kB] 108s gpgv: Signature made Thu Feb 13 03:57:40 2025 UTC 108s gpgv: using RSA key 843E5FA61E6063389876D2E5EE4AFD69EC65108F 108s gpgv: issuer "nbreen@debian.org" 108s gpgv: Can't check signature: No public key 108s dpkg-source: warning: cannot verify inline signature for ./gromacs_2025.0-1.dsc: no acceptable signature found 111s autopkgtest [22:17:30]: testing package gromacs version 2025.0-1 111s autopkgtest [22:17:30]: build not needed 124s autopkgtest [22:17:43]: test gromacs-regressiontests: preparing testbed 124s Reading package lists... 124s Building dependency tree... 124s Reading state information... 124s Starting pkgProblemResolver with broken count: 0 124s Starting 2 pkgProblemResolver with broken count: 0 124s Done 125s The following NEW packages will be installed: 125s build-essential cpp cpp-14 cpp-14-powerpc64le-linux-gnu 125s cpp-powerpc64le-linux-gnu fonts-mathjax g++ g++-14 125s g++-14-powerpc64le-linux-gnu g++-powerpc64le-linux-gnu gcc gcc-14 125s gcc-14-powerpc64le-linux-gnu gcc-powerpc64le-linux-gnu gromacs gromacs-data 125s libamd-comgr2 libamdhip64-5 libasan8 libblas3 libcc1-0 125s libevent-pthreads-2.1-7t64 libfabric1 libfftw3-bin libfftw3-dev 125s libfftw3-double3 libfftw3-long3 libfftw3-single3 libgcc-14-dev libgfortran5 125s libgomp1 libgromacs-dev libgromacs10 libhsa-runtime64-1 libhsakmt1 125s libhwloc-plugins libhwloc15 libibmad5 libibumad3 libisl23 libitm1 125s libjs-mathjax liblapack3 libllvm17t64 liblsan0 libmpc3 libmunge2 125s libmuparser2v5 libnblib-gmx-dev libnblib-gmx0 libopenmpi40 libpciaccess0 125s libpmix2t64 libquadmath0 librdmacm1t64 libstdc++-14-dev libtsan2 libubsan1 125s libucx0 libxnvctrl0 mpi-default-bin ocl-icd-libopencl1 openmpi-bin 125s openmpi-common 125s 0 upgraded, 64 newly installed, 0 to remove and 0 not upgraded. 125s Need to get 208 MB of archives. 125s After this operation, 961 MB of additional disk space will be used. 125s Get:1 http://ftpmaster.internal/ubuntu plucky/main ppc64el libisl23 ppc64el 0.27-1 [882 kB] 125s Get:2 http://ftpmaster.internal/ubuntu plucky/main ppc64el libmpc3 ppc64el 1.3.1-1build2 [62.1 kB] 125s Get:3 http://ftpmaster.internal/ubuntu plucky/main ppc64el cpp-14-powerpc64le-linux-gnu ppc64el 14.2.0-17ubuntu1 [10.5 MB] 126s Get:4 http://ftpmaster.internal/ubuntu plucky/main ppc64el cpp-14 ppc64el 14.2.0-17ubuntu1 [1038 B] 126s Get:5 http://ftpmaster.internal/ubuntu plucky/main ppc64el cpp-powerpc64le-linux-gnu ppc64el 4:14.2.0-1ubuntu1 [5566 B] 126s Get:6 http://ftpmaster.internal/ubuntu plucky/main ppc64el cpp ppc64el 4:14.2.0-1ubuntu1 [22.4 kB] 126s Get:7 http://ftpmaster.internal/ubuntu plucky/main ppc64el libcc1-0 ppc64el 14.2.0-17ubuntu1 [48.1 kB] 126s Get:8 http://ftpmaster.internal/ubuntu plucky/main ppc64el libgomp1 ppc64el 14.2.0-17ubuntu1 [161 kB] 126s Get:9 http://ftpmaster.internal/ubuntu plucky/main ppc64el libitm1 ppc64el 14.2.0-17ubuntu1 [32.1 kB] 126s Get:10 http://ftpmaster.internal/ubuntu plucky/main ppc64el libasan8 ppc64el 14.2.0-17ubuntu1 [2945 kB] 126s Get:11 http://ftpmaster.internal/ubuntu plucky/main ppc64el liblsan0 ppc64el 14.2.0-17ubuntu1 [1322 kB] 126s Get:12 http://ftpmaster.internal/ubuntu plucky/main ppc64el libtsan2 ppc64el 14.2.0-17ubuntu1 [2696 kB] 126s Get:13 http://ftpmaster.internal/ubuntu plucky/main ppc64el libubsan1 ppc64el 14.2.0-17ubuntu1 [1191 kB] 126s Get:14 http://ftpmaster.internal/ubuntu plucky/main ppc64el libquadmath0 ppc64el 14.2.0-17ubuntu1 [158 kB] 126s Get:15 http://ftpmaster.internal/ubuntu plucky/main ppc64el libgcc-14-dev ppc64el 14.2.0-17ubuntu1 [1620 kB] 126s Get:16 http://ftpmaster.internal/ubuntu plucky/main ppc64el gcc-14-powerpc64le-linux-gnu ppc64el 14.2.0-17ubuntu1 [20.6 MB] 127s Get:17 http://ftpmaster.internal/ubuntu plucky/main ppc64el gcc-14 ppc64el 14.2.0-17ubuntu1 [536 kB] 127s Get:18 http://ftpmaster.internal/ubuntu plucky/main ppc64el gcc-powerpc64le-linux-gnu ppc64el 4:14.2.0-1ubuntu1 [1226 B] 127s Get:19 http://ftpmaster.internal/ubuntu plucky/main ppc64el gcc ppc64el 4:14.2.0-1ubuntu1 [5012 B] 127s Get:20 http://ftpmaster.internal/ubuntu plucky/main ppc64el libstdc++-14-dev ppc64el 14.2.0-17ubuntu1 [2677 kB] 128s Get:21 http://ftpmaster.internal/ubuntu plucky/main ppc64el g++-14-powerpc64le-linux-gnu ppc64el 14.2.0-17ubuntu1 [12.0 MB] 128s Get:22 http://ftpmaster.internal/ubuntu plucky/main ppc64el g++-14 ppc64el 14.2.0-17ubuntu1 [21.8 kB] 128s Get:23 http://ftpmaster.internal/ubuntu plucky/main ppc64el g++-powerpc64le-linux-gnu ppc64el 4:14.2.0-1ubuntu1 [966 B] 128s Get:24 http://ftpmaster.internal/ubuntu plucky/main ppc64el g++ ppc64el 4:14.2.0-1ubuntu1 [1088 B] 128s Get:25 http://ftpmaster.internal/ubuntu plucky/main ppc64el build-essential ppc64el 12.10ubuntu1 [4936 B] 128s Get:26 http://ftpmaster.internal/ubuntu plucky/main ppc64el fonts-mathjax all 2.7.9+dfsg-1 [2208 kB] 128s Get:27 http://ftpmaster.internal/ubuntu plucky/universe ppc64el libllvm17t64 ppc64el 1:17.0.6-20 [27.0 MB] 130s Get:28 http://ftpmaster.internal/ubuntu plucky/universe ppc64el libamd-comgr2 ppc64el 6.0+git20231212.4510c28+dfsg-3build2 [15.3 MB] 131s Get:29 http://ftpmaster.internal/ubuntu plucky/universe ppc64el libhsakmt1 ppc64el 5.7.0-1build1 [76.4 kB] 131s Get:30 http://ftpmaster.internal/ubuntu plucky/universe ppc64el libhsa-runtime64-1 ppc64el 5.7.1-2build1 [330 kB] 131s Get:31 http://ftpmaster.internal/ubuntu plucky/universe ppc64el libamdhip64-5 ppc64el 5.7.1-5 [9354 kB] 132s Get:32 http://ftpmaster.internal/ubuntu plucky/main ppc64el libblas3 ppc64el 3.12.1-2 [239 kB] 132s Get:33 http://ftpmaster.internal/ubuntu plucky/main ppc64el libevent-pthreads-2.1-7t64 ppc64el 2.1.12-stable-10 [8026 B] 132s Get:34 http://ftpmaster.internal/ubuntu plucky/main ppc64el librdmacm1t64 ppc64el 55.0-1ubuntu1 [80.5 kB] 132s Get:35 http://ftpmaster.internal/ubuntu plucky/universe ppc64el libfabric1 ppc64el 1.17.0-3ubuntu1 [692 kB] 132s Get:36 http://ftpmaster.internal/ubuntu plucky/main ppc64el libfftw3-double3 ppc64el 3.3.10-2fakesync1build1 [443 kB] 132s Get:37 http://ftpmaster.internal/ubuntu plucky/main ppc64el libfftw3-long3 ppc64el 3.3.10-2fakesync1build1 [708 kB] 132s Get:38 http://ftpmaster.internal/ubuntu plucky/main ppc64el libfftw3-single3 ppc64el 3.3.10-2fakesync1build1 [450 kB] 132s Get:39 http://ftpmaster.internal/ubuntu plucky/main ppc64el libfftw3-bin ppc64el 3.3.10-2fakesync1build1 [35.0 kB] 132s Get:40 http://ftpmaster.internal/ubuntu plucky/main ppc64el libfftw3-dev ppc64el 3.3.10-2fakesync1build1 [1300 kB] 132s Get:41 http://ftpmaster.internal/ubuntu plucky/main ppc64el libgfortran5 ppc64el 14.2.0-17ubuntu1 [571 kB] 132s Get:42 http://ftpmaster.internal/ubuntu plucky/universe ppc64el libhwloc15 ppc64el 2.11.2-1build1 [220 kB] 132s Get:43 http://ftpmaster.internal/ubuntu plucky/main ppc64el liblapack3 ppc64el 3.12.1-2 [2813 kB] 132s Get:44 http://ftpmaster.internal/ubuntu plucky/universe ppc64el libmuparser2v5 ppc64el 2.3.4-1 [138 kB] 132s Get:45 http://ftpmaster.internal/ubuntu plucky/universe ppc64el libmunge2 ppc64el 0.5.16-1 [17.3 kB] 132s Get:46 http://ftpmaster.internal/ubuntu plucky/main ppc64el libpciaccess0 ppc64el 0.17-3build1 [21.4 kB] 132s Get:47 http://ftpmaster.internal/ubuntu plucky/main ppc64el libxnvctrl0 ppc64el 510.47.03-0ubuntu4 [12.6 kB] 132s Get:48 http://ftpmaster.internal/ubuntu plucky/universe ppc64el ocl-icd-libopencl1 ppc64el 2.3.2-1build1 [42.9 kB] 132s Get:49 http://ftpmaster.internal/ubuntu plucky/universe ppc64el libhwloc-plugins ppc64el 2.11.2-1build1 [17.5 kB] 132s Get:50 http://ftpmaster.internal/ubuntu plucky/universe ppc64el libpmix2t64 ppc64el 5.0.6-3 [759 kB] 132s Get:51 http://ftpmaster.internal/ubuntu plucky/main ppc64el libibumad3 ppc64el 55.0-1ubuntu1 [31.7 kB] 132s Get:52 http://ftpmaster.internal/ubuntu plucky/main ppc64el libibmad5 ppc64el 55.0-1ubuntu1 [45.7 kB] 132s Get:53 http://ftpmaster.internal/ubuntu plucky/universe ppc64el libucx0 ppc64el 1.17.0+ds-3build1 [1224 kB] 132s Get:54 http://ftpmaster.internal/ubuntu plucky/universe ppc64el libopenmpi40 ppc64el 5.0.6-4 [2613 kB] 132s Get:55 http://ftpmaster.internal/ubuntu plucky/universe ppc64el libgromacs10 ppc64el 2025.0-1 [33.3 MB] 135s Get:56 http://ftpmaster.internal/ubuntu plucky/universe ppc64el libnblib-gmx0 ppc64el 2025.0-1 [352 kB] 135s Get:57 http://ftpmaster.internal/ubuntu plucky/universe ppc64el libnblib-gmx-dev ppc64el 2025.0-1 [26.2 kB] 135s Get:58 http://ftpmaster.internal/ubuntu plucky/universe ppc64el openmpi-common all 5.0.6-4 [97.7 kB] 135s Get:59 http://ftpmaster.internal/ubuntu plucky/universe ppc64el openmpi-bin ppc64el 5.0.6-4 [214 kB] 135s Get:60 http://ftpmaster.internal/ubuntu plucky/main ppc64el libjs-mathjax all 2.7.9+dfsg-1 [5665 kB] 137s Get:61 http://ftpmaster.internal/ubuntu plucky/universe ppc64el gromacs-data all 2025.0-1 [43.8 MB] 139s Get:62 http://ftpmaster.internal/ubuntu plucky/universe ppc64el gromacs ppc64el 2025.0-1 [60.7 kB] 139s Get:63 http://ftpmaster.internal/ubuntu plucky/universe ppc64el libgromacs-dev ppc64el 2025.0-1 [170 kB] 139s Get:64 http://ftpmaster.internal/ubuntu plucky/universe ppc64el mpi-default-bin ppc64el 1.18 [2510 B] 140s Fetched 208 MB in 15s (14.3 MB/s) 140s Selecting previously unselected package libisl23:ppc64el. 140s (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 ... 106313 files and directories currently installed.) 140s Preparing to unpack .../00-libisl23_0.27-1_ppc64el.deb ... 140s Unpacking libisl23:ppc64el (0.27-1) ... 140s Selecting previously unselected package libmpc3:ppc64el. 140s Preparing to unpack .../01-libmpc3_1.3.1-1build2_ppc64el.deb ... 140s Unpacking libmpc3:ppc64el (1.3.1-1build2) ... 140s Selecting previously unselected package cpp-14-powerpc64le-linux-gnu. 140s Preparing to unpack .../02-cpp-14-powerpc64le-linux-gnu_14.2.0-17ubuntu1_ppc64el.deb ... 140s Unpacking cpp-14-powerpc64le-linux-gnu (14.2.0-17ubuntu1) ... 140s Selecting previously unselected package cpp-14. 140s Preparing to unpack .../03-cpp-14_14.2.0-17ubuntu1_ppc64el.deb ... 140s Unpacking cpp-14 (14.2.0-17ubuntu1) ... 140s Selecting previously unselected package cpp-powerpc64le-linux-gnu. 140s Preparing to unpack .../04-cpp-powerpc64le-linux-gnu_4%3a14.2.0-1ubuntu1_ppc64el.deb ... 140s Unpacking cpp-powerpc64le-linux-gnu (4:14.2.0-1ubuntu1) ... 140s Selecting previously unselected package cpp. 140s Preparing to unpack .../05-cpp_4%3a14.2.0-1ubuntu1_ppc64el.deb ... 140s Unpacking cpp (4:14.2.0-1ubuntu1) ... 140s Selecting previously unselected package libcc1-0:ppc64el. 140s Preparing to unpack .../06-libcc1-0_14.2.0-17ubuntu1_ppc64el.deb ... 140s Unpacking libcc1-0:ppc64el (14.2.0-17ubuntu1) ... 140s Selecting previously unselected package libgomp1:ppc64el. 140s Preparing to unpack .../07-libgomp1_14.2.0-17ubuntu1_ppc64el.deb ... 140s Unpacking libgomp1:ppc64el (14.2.0-17ubuntu1) ... 140s Selecting previously unselected package libitm1:ppc64el. 140s Preparing to unpack .../08-libitm1_14.2.0-17ubuntu1_ppc64el.deb ... 140s Unpacking libitm1:ppc64el (14.2.0-17ubuntu1) ... 140s Selecting previously unselected package libasan8:ppc64el. 140s Preparing to unpack .../09-libasan8_14.2.0-17ubuntu1_ppc64el.deb ... 140s Unpacking libasan8:ppc64el (14.2.0-17ubuntu1) ... 140s Selecting previously unselected package liblsan0:ppc64el. 140s Preparing to unpack .../10-liblsan0_14.2.0-17ubuntu1_ppc64el.deb ... 140s Unpacking liblsan0:ppc64el (14.2.0-17ubuntu1) ... 140s Selecting previously unselected package libtsan2:ppc64el. 140s Preparing to unpack .../11-libtsan2_14.2.0-17ubuntu1_ppc64el.deb ... 140s Unpacking libtsan2:ppc64el (14.2.0-17ubuntu1) ... 140s Selecting previously unselected package libubsan1:ppc64el. 140s Preparing to unpack .../12-libubsan1_14.2.0-17ubuntu1_ppc64el.deb ... 140s Unpacking libubsan1:ppc64el (14.2.0-17ubuntu1) ... 140s Selecting previously unselected package libquadmath0:ppc64el. 140s Preparing to unpack .../13-libquadmath0_14.2.0-17ubuntu1_ppc64el.deb ... 140s Unpacking libquadmath0:ppc64el (14.2.0-17ubuntu1) ... 140s Selecting previously unselected package libgcc-14-dev:ppc64el. 140s Preparing to unpack .../14-libgcc-14-dev_14.2.0-17ubuntu1_ppc64el.deb ... 140s Unpacking libgcc-14-dev:ppc64el (14.2.0-17ubuntu1) ... 140s Selecting previously unselected package gcc-14-powerpc64le-linux-gnu. 140s Preparing to unpack .../15-gcc-14-powerpc64le-linux-gnu_14.2.0-17ubuntu1_ppc64el.deb ... 140s Unpacking gcc-14-powerpc64le-linux-gnu (14.2.0-17ubuntu1) ... 141s Selecting previously unselected package gcc-14. 141s Preparing to unpack .../16-gcc-14_14.2.0-17ubuntu1_ppc64el.deb ... 141s Unpacking gcc-14 (14.2.0-17ubuntu1) ... 141s Selecting previously unselected package gcc-powerpc64le-linux-gnu. 141s Preparing to unpack .../17-gcc-powerpc64le-linux-gnu_4%3a14.2.0-1ubuntu1_ppc64el.deb ... 141s Unpacking gcc-powerpc64le-linux-gnu (4:14.2.0-1ubuntu1) ... 141s Selecting previously unselected package gcc. 141s Preparing to unpack .../18-gcc_4%3a14.2.0-1ubuntu1_ppc64el.deb ... 141s Unpacking gcc (4:14.2.0-1ubuntu1) ... 141s Selecting previously unselected package libstdc++-14-dev:ppc64el. 141s Preparing to unpack .../19-libstdc++-14-dev_14.2.0-17ubuntu1_ppc64el.deb ... 141s Unpacking libstdc++-14-dev:ppc64el (14.2.0-17ubuntu1) ... 141s Selecting previously unselected package g++-14-powerpc64le-linux-gnu. 141s Preparing to unpack .../20-g++-14-powerpc64le-linux-gnu_14.2.0-17ubuntu1_ppc64el.deb ... 141s Unpacking g++-14-powerpc64le-linux-gnu (14.2.0-17ubuntu1) ... 141s Selecting previously unselected package g++-14. 141s Preparing to unpack .../21-g++-14_14.2.0-17ubuntu1_ppc64el.deb ... 141s Unpacking g++-14 (14.2.0-17ubuntu1) ... 141s Selecting previously unselected package g++-powerpc64le-linux-gnu. 141s Preparing to unpack .../22-g++-powerpc64le-linux-gnu_4%3a14.2.0-1ubuntu1_ppc64el.deb ... 141s Unpacking g++-powerpc64le-linux-gnu (4:14.2.0-1ubuntu1) ... 141s Selecting previously unselected package g++. 141s Preparing to unpack .../23-g++_4%3a14.2.0-1ubuntu1_ppc64el.deb ... 141s Unpacking g++ (4:14.2.0-1ubuntu1) ... 141s Selecting previously unselected package build-essential. 141s Preparing to unpack .../24-build-essential_12.10ubuntu1_ppc64el.deb ... 141s Unpacking build-essential (12.10ubuntu1) ... 141s Selecting previously unselected package fonts-mathjax. 141s Preparing to unpack .../25-fonts-mathjax_2.7.9+dfsg-1_all.deb ... 141s Unpacking fonts-mathjax (2.7.9+dfsg-1) ... 141s Selecting previously unselected package libllvm17t64:ppc64el. 141s Preparing to unpack .../26-libllvm17t64_1%3a17.0.6-20_ppc64el.deb ... 141s Unpacking libllvm17t64:ppc64el (1:17.0.6-20) ... 142s Selecting previously unselected package libamd-comgr2:ppc64el. 142s Preparing to unpack .../27-libamd-comgr2_6.0+git20231212.4510c28+dfsg-3build2_ppc64el.deb ... 142s Unpacking libamd-comgr2:ppc64el (6.0+git20231212.4510c28+dfsg-3build2) ... 142s Selecting previously unselected package libhsakmt1:ppc64el. 142s Preparing to unpack .../28-libhsakmt1_5.7.0-1build1_ppc64el.deb ... 142s Unpacking libhsakmt1:ppc64el (5.7.0-1build1) ... 142s Selecting previously unselected package libhsa-runtime64-1. 142s Preparing to unpack .../29-libhsa-runtime64-1_5.7.1-2build1_ppc64el.deb ... 142s Unpacking libhsa-runtime64-1 (5.7.1-2build1) ... 142s Selecting previously unselected package libamdhip64-5. 142s Preparing to unpack .../30-libamdhip64-5_5.7.1-5_ppc64el.deb ... 142s Unpacking libamdhip64-5 (5.7.1-5) ... 142s Selecting previously unselected package libblas3:ppc64el. 142s Preparing to unpack .../31-libblas3_3.12.1-2_ppc64el.deb ... 142s Unpacking libblas3:ppc64el (3.12.1-2) ... 142s Selecting previously unselected package libevent-pthreads-2.1-7t64:ppc64el. 142s Preparing to unpack .../32-libevent-pthreads-2.1-7t64_2.1.12-stable-10_ppc64el.deb ... 142s Unpacking libevent-pthreads-2.1-7t64:ppc64el (2.1.12-stable-10) ... 142s Selecting previously unselected package librdmacm1t64:ppc64el. 142s Preparing to unpack .../33-librdmacm1t64_55.0-1ubuntu1_ppc64el.deb ... 142s Unpacking librdmacm1t64:ppc64el (55.0-1ubuntu1) ... 143s Selecting previously unselected package libfabric1:ppc64el. 143s Preparing to unpack .../34-libfabric1_1.17.0-3ubuntu1_ppc64el.deb ... 143s Unpacking libfabric1:ppc64el (1.17.0-3ubuntu1) ... 143s Selecting previously unselected package libfftw3-double3:ppc64el. 143s Preparing to unpack .../35-libfftw3-double3_3.3.10-2fakesync1build1_ppc64el.deb ... 143s Unpacking libfftw3-double3:ppc64el (3.3.10-2fakesync1build1) ... 143s Selecting previously unselected package libfftw3-long3:ppc64el. 143s Preparing to unpack .../36-libfftw3-long3_3.3.10-2fakesync1build1_ppc64el.deb ... 143s Unpacking libfftw3-long3:ppc64el (3.3.10-2fakesync1build1) ... 143s Selecting previously unselected package libfftw3-single3:ppc64el. 143s Preparing to unpack .../37-libfftw3-single3_3.3.10-2fakesync1build1_ppc64el.deb ... 143s Unpacking libfftw3-single3:ppc64el (3.3.10-2fakesync1build1) ... 143s Selecting previously unselected package libfftw3-bin. 143s Preparing to unpack .../38-libfftw3-bin_3.3.10-2fakesync1build1_ppc64el.deb ... 143s Unpacking libfftw3-bin (3.3.10-2fakesync1build1) ... 143s Selecting previously unselected package libfftw3-dev:ppc64el. 143s Preparing to unpack .../39-libfftw3-dev_3.3.10-2fakesync1build1_ppc64el.deb ... 143s Unpacking libfftw3-dev:ppc64el (3.3.10-2fakesync1build1) ... 143s Selecting previously unselected package libgfortran5:ppc64el. 143s Preparing to unpack .../40-libgfortran5_14.2.0-17ubuntu1_ppc64el.deb ... 143s Unpacking libgfortran5:ppc64el (14.2.0-17ubuntu1) ... 143s Selecting previously unselected package libhwloc15:ppc64el. 143s Preparing to unpack .../41-libhwloc15_2.11.2-1build1_ppc64el.deb ... 143s Unpacking libhwloc15:ppc64el (2.11.2-1build1) ... 143s Selecting previously unselected package liblapack3:ppc64el. 143s Preparing to unpack .../42-liblapack3_3.12.1-2_ppc64el.deb ... 143s Unpacking liblapack3:ppc64el (3.12.1-2) ... 143s Selecting previously unselected package libmuparser2v5:ppc64el. 143s Preparing to unpack .../43-libmuparser2v5_2.3.4-1_ppc64el.deb ... 143s Unpacking libmuparser2v5:ppc64el (2.3.4-1) ... 143s Selecting previously unselected package libmunge2:ppc64el. 143s Preparing to unpack .../44-libmunge2_0.5.16-1_ppc64el.deb ... 143s Unpacking libmunge2:ppc64el (0.5.16-1) ... 143s Selecting previously unselected package libpciaccess0:ppc64el. 143s Preparing to unpack .../45-libpciaccess0_0.17-3build1_ppc64el.deb ... 143s Unpacking libpciaccess0:ppc64el (0.17-3build1) ... 143s Selecting previously unselected package libxnvctrl0:ppc64el. 143s Preparing to unpack .../46-libxnvctrl0_510.47.03-0ubuntu4_ppc64el.deb ... 143s Unpacking libxnvctrl0:ppc64el (510.47.03-0ubuntu4) ... 143s Selecting previously unselected package ocl-icd-libopencl1:ppc64el. 143s Preparing to unpack .../47-ocl-icd-libopencl1_2.3.2-1build1_ppc64el.deb ... 143s Unpacking ocl-icd-libopencl1:ppc64el (2.3.2-1build1) ... 143s Selecting previously unselected package libhwloc-plugins:ppc64el. 143s Preparing to unpack .../48-libhwloc-plugins_2.11.2-1build1_ppc64el.deb ... 143s Unpacking libhwloc-plugins:ppc64el (2.11.2-1build1) ... 143s Selecting previously unselected package libpmix2t64:ppc64el. 143s Preparing to unpack .../49-libpmix2t64_5.0.6-3_ppc64el.deb ... 143s Unpacking libpmix2t64:ppc64el (5.0.6-3) ... 143s Selecting previously unselected package libibumad3:ppc64el. 143s Preparing to unpack .../50-libibumad3_55.0-1ubuntu1_ppc64el.deb ... 143s Unpacking libibumad3:ppc64el (55.0-1ubuntu1) ... 143s Selecting previously unselected package libibmad5:ppc64el. 143s Preparing to unpack .../51-libibmad5_55.0-1ubuntu1_ppc64el.deb ... 143s Unpacking libibmad5:ppc64el (55.0-1ubuntu1) ... 143s Selecting previously unselected package libucx0:ppc64el. 143s Preparing to unpack .../52-libucx0_1.17.0+ds-3build1_ppc64el.deb ... 143s Unpacking libucx0:ppc64el (1.17.0+ds-3build1) ... 143s Selecting previously unselected package libopenmpi40:ppc64el. 143s Preparing to unpack .../53-libopenmpi40_5.0.6-4_ppc64el.deb ... 143s Unpacking libopenmpi40:ppc64el (5.0.6-4) ... 143s Selecting previously unselected package libgromacs10:ppc64el. 143s Preparing to unpack .../54-libgromacs10_2025.0-1_ppc64el.deb ... 143s Unpacking libgromacs10:ppc64el (2025.0-1) ... 143s Selecting previously unselected package libnblib-gmx0:ppc64el. 143s Preparing to unpack .../55-libnblib-gmx0_2025.0-1_ppc64el.deb ... 143s Unpacking libnblib-gmx0:ppc64el (2025.0-1) ... 143s Selecting previously unselected package libnblib-gmx-dev. 143s Preparing to unpack .../56-libnblib-gmx-dev_2025.0-1_ppc64el.deb ... 143s Unpacking libnblib-gmx-dev (2025.0-1) ... 143s Selecting previously unselected package openmpi-common. 143s Preparing to unpack .../57-openmpi-common_5.0.6-4_all.deb ... 143s Unpacking openmpi-common (5.0.6-4) ... 143s Selecting previously unselected package openmpi-bin. 143s Preparing to unpack .../58-openmpi-bin_5.0.6-4_ppc64el.deb ... 143s Unpacking openmpi-bin (5.0.6-4) ... 143s Selecting previously unselected package libjs-mathjax. 143s Preparing to unpack .../59-libjs-mathjax_2.7.9+dfsg-1_all.deb ... 143s Unpacking libjs-mathjax (2.7.9+dfsg-1) ... 144s Selecting previously unselected package gromacs-data. 144s Preparing to unpack .../60-gromacs-data_2025.0-1_all.deb ... 144s Unpacking gromacs-data (2025.0-1) ... 148s Selecting previously unselected package gromacs. 148s Preparing to unpack .../61-gromacs_2025.0-1_ppc64el.deb ... 148s Unpacking gromacs (2025.0-1) ... 148s Selecting previously unselected package libgromacs-dev. 148s Preparing to unpack .../62-libgromacs-dev_2025.0-1_ppc64el.deb ... 148s Unpacking libgromacs-dev (2025.0-1) ... 148s Selecting previously unselected package mpi-default-bin. 148s Preparing to unpack .../63-mpi-default-bin_1.18_ppc64el.deb ... 148s Unpacking mpi-default-bin (1.18) ... 148s Setting up libpciaccess0:ppc64el (0.17-3build1) ... 148s Setting up fonts-mathjax (2.7.9+dfsg-1) ... 148s Setting up libjs-mathjax (2.7.9+dfsg-1) ... 148s Setting up libevent-pthreads-2.1-7t64:ppc64el (2.1.12-stable-10) ... 148s Setting up libibumad3:ppc64el (55.0-1ubuntu1) ... 148s Setting up libibmad5:ppc64el (55.0-1ubuntu1) ... 148s Setting up libgomp1:ppc64el (14.2.0-17ubuntu1) ... 148s Setting up libxnvctrl0:ppc64el (510.47.03-0ubuntu4) ... 148s Setting up libblas3:ppc64el (3.12.1-2) ... 148s 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 148s Setting up libmunge2:ppc64el (0.5.16-1) ... 148s Setting up libllvm17t64:ppc64el (1:17.0.6-20) ... 148s Setting up libquadmath0:ppc64el (14.2.0-17ubuntu1) ... 148s Setting up libhwloc15:ppc64el (2.11.2-1build1) ... 148s Setting up libmpc3:ppc64el (1.3.1-1build2) ... 148s Setting up libfftw3-double3:ppc64el (3.3.10-2fakesync1build1) ... 148s Setting up libgfortran5:ppc64el (14.2.0-17ubuntu1) ... 148s Setting up libubsan1:ppc64el (14.2.0-17ubuntu1) ... 148s Setting up ocl-icd-libopencl1:ppc64el (2.3.2-1build1) ... 148s Setting up libasan8:ppc64el (14.2.0-17ubuntu1) ... 148s Setting up openmpi-common (5.0.6-4) ... 148s Setting up librdmacm1t64:ppc64el (55.0-1ubuntu1) ... 148s Setting up libamd-comgr2:ppc64el (6.0+git20231212.4510c28+dfsg-3build2) ... 148s Setting up libmuparser2v5:ppc64el (2.3.4-1) ... 148s Setting up libtsan2:ppc64el (14.2.0-17ubuntu1) ... 148s Setting up libisl23:ppc64el (0.27-1) ... 148s Setting up libcc1-0:ppc64el (14.2.0-17ubuntu1) ... 148s Setting up liblsan0:ppc64el (14.2.0-17ubuntu1) ... 148s Setting up libhsakmt1:ppc64el (5.7.0-1build1) ... 148s Setting up libitm1:ppc64el (14.2.0-17ubuntu1) ... 148s Setting up libfabric1:ppc64el (1.17.0-3ubuntu1) ... 148s Setting up gromacs-data (2025.0-1) ... 148s Setting up liblapack3:ppc64el (3.12.1-2) ... 148s 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 148s Setting up libfftw3-single3:ppc64el (3.3.10-2fakesync1build1) ... 148s Setting up libfftw3-long3:ppc64el (3.3.10-2fakesync1build1) ... 148s Setting up libhwloc-plugins:ppc64el (2.11.2-1build1) ... 148s Setting up libpmix2t64:ppc64el (5.0.6-3) ... 148s Setting up cpp-14-powerpc64le-linux-gnu (14.2.0-17ubuntu1) ... 148s Setting up cpp-14 (14.2.0-17ubuntu1) ... 148s Setting up libhsa-runtime64-1 (5.7.1-2build1) ... 148s Setting up libgcc-14-dev:ppc64el (14.2.0-17ubuntu1) ... 148s Setting up libstdc++-14-dev:ppc64el (14.2.0-17ubuntu1) ... 148s Setting up cpp-powerpc64le-linux-gnu (4:14.2.0-1ubuntu1) ... 148s Setting up gcc-14-powerpc64le-linux-gnu (14.2.0-17ubuntu1) ... 148s Setting up g++-14-powerpc64le-linux-gnu (14.2.0-17ubuntu1) ... 148s Setting up libfftw3-bin (3.3.10-2fakesync1build1) ... 148s Setting up gcc-14 (14.2.0-17ubuntu1) ... 148s Setting up libamdhip64-5 (5.7.1-5) ... 148s Setting up gcc-powerpc64le-linux-gnu (4:14.2.0-1ubuntu1) ... 148s Setting up cpp (4:14.2.0-1ubuntu1) ... 148s Setting up g++-14 (14.2.0-17ubuntu1) ... 148s Setting up libfftw3-dev:ppc64el (3.3.10-2fakesync1build1) ... 148s Setting up g++-powerpc64le-linux-gnu (4:14.2.0-1ubuntu1) ... 148s Setting up libucx0:ppc64el (1.17.0+ds-3build1) ... 148s Setting up gcc (4:14.2.0-1ubuntu1) ... 148s Setting up g++ (4:14.2.0-1ubuntu1) ... 148s update-alternatives: using /usr/bin/g++ to provide /usr/bin/c++ (c++) in auto mode 148s Setting up build-essential (12.10ubuntu1) ... 148s Setting up libopenmpi40:ppc64el (5.0.6-4) ... 148s Setting up libgromacs10:ppc64el (2025.0-1) ... 148s Setting up libgromacs-dev (2025.0-1) ... 148s Setting up libnblib-gmx0:ppc64el (2025.0-1) ... 148s Setting up openmpi-bin (5.0.6-4) ... 148s update-alternatives: using /usr/bin/mpirun.openmpi to provide /usr/bin/mpirun (mpirun) in auto mode 148s 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 148s update-alternatives: using /usr/bin/mpicc.openmpi to provide /usr/bin/mpicc (mpi) in auto mode 148s Setting up libnblib-gmx-dev (2025.0-1) ... 148s Setting up mpi-default-bin (1.18) ... 148s Setting up gromacs (2025.0-1) ... 148s Processing triggers for man-db (2.13.0-1) ... 149s Processing triggers for libc-bin (2.41-1ubuntu1) ... 152s autopkgtest [22:18:11]: test gromacs-regressiontests: [----------------------- 152s ======================================================== 152s Starting regression tests: basic build, single precision 152s ======================================================== 152s Testing acetonitrilRF . . . gmx grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/acetonitrilRF/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/acetonitrilRF/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/acetonitrilRF/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/acetonitrilRF/topol -maxwarn 10 >grompp.out 2>grompp.err 152s gmx check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/acetonitrilRF/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 152s gmx mdrun -nb cpu -notunepme >mdrun.out 2>&1 152s gmx check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/acetonitrilRF/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 152s gmx check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/acetonitrilRF/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 152s PASSED but check mdp file differences 152s Testing aminoacids . . . gmx grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/aminoacids/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/aminoacids/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/aminoacids/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/aminoacids/topol -maxwarn 10 >grompp.out 2>grompp.err 153s gmx check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/aminoacids/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 153s gmx mdrun -notunepme >mdrun.out 2>&1 153s gmx check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/aminoacids/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 153s gmx check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/aminoacids/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 153s PASSED but check mdp file differences 153s Testing argon . . . gmx grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/argon/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/argon/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/argon/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/argon/topol -maxwarn 10 >grompp.out 2>grompp.err 153s gmx check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/argon/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 153s gmx mdrun -nb cpu -notunepme >mdrun.out 2>&1 153s gmx check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/argon/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 153s gmx check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/argon/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 153s PASSED but check mdp file differences 153s Testing awh_multibias . . . gmx grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/awh_multibias/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/awh_multibias/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/awh_multibias/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/awh_multibias/topol -maxwarn 10 -n /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/awh_multibias/index >grompp.out 2>grompp.err 153s gmx check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/awh_multibias/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 153s gmx mdrun -notunepme -cpi /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/awh_multibias/continue -noappend >mdrun.out 2>&1 153s gmx check -e /tmp/autopkgtest.ZJGtTy/build.XAj/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 153s gmx check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/awh_multibias/reference_s.trr -f2 traj.part0002.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 153s PASSED but check mdp file differences 153s Testing awh_multidim . . . gmx grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/awh_multidim/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/awh_multidim/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/awh_multidim/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/awh_multidim/topol -maxwarn 10 -n /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/awh_multidim/index >grompp.out 2>grompp.err 153s gmx check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/awh_multidim/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 153s gmx mdrun -notunepme >mdrun.out 2>&1 153s gmx check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/awh_multidim/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 153s gmx check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/awh_multidim/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 153s PASSED but check mdp file differences 153s Testing butane . . . gmx grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/butane/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/butane/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/butane/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/butane/topol -maxwarn 10 >grompp.out 2>grompp.err 154s gmx check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/butane/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 154s gmx mdrun -notunepme >mdrun.out 2>&1 154s gmx check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/butane/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 154s gmx check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/butane/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 154s PASSED but check mdp file differences 154s Testing cbt . . . gmx grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/cbt/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/cbt/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/cbt/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/cbt/topol -maxwarn 10 >grompp.out 2>grompp.err 154s gmx check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/cbt/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 154s gmx mdrun -nb cpu -notunepme >mdrun.out 2>&1 154s gmx check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/cbt/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 154s gmx check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/cbt/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 154s PASSED but check mdp file differences 154s Testing dd121 . . . gmx grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/dd121/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/dd121/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/dd121/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/dd121/topol -maxwarn 10 >grompp.out 2>grompp.err 154s gmx check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/dd121/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 154s gmx mdrun -ntmpi 12 -notunepme >mdrun.out 2>&1 185s gmx check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/dd121/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 185s gmx check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/dd121/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 185s PASSED but check mdp file differences 185s Testing dec+water . . . gmx grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/dec+water/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/dec+water/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/dec+water/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/dec+water/topol -maxwarn 10 >grompp.out 2>grompp.err 185s gmx check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/dec+water/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 185s gmx mdrun -nb cpu -notunepme >mdrun.out 2>&1 185s gmx check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/dec+water/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 185s gmx check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/dec+water/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 185s PASSED but check mdp file differences 185s Testing distance_restraints . . . gmx grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/distance_restraints/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/distance_restraints/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/distance_restraints/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/distance_restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 185s gmx check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/distance_restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 185s gmx mdrun -ntmpi 1 -notunepme >mdrun.out 2>&1 185s gmx check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/distance_restraints/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 185s gmx check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/distance_restraints/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 185s PASSED but check mdp file differences 185s Testing ethyleenglycol . . . gmx grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/ethyleenglycol/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/ethyleenglycol/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/ethyleenglycol/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/ethyleenglycol/topol -maxwarn 10 >grompp.out 2>grompp.err 185s gmx check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/ethyleenglycol/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 185s gmx mdrun -notunepme >mdrun.out 2>&1 185s gmx check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/ethyleenglycol/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 185s gmx check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/ethyleenglycol/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 185s PASSED but check mdp file differences 185s Testing field . . . gmx grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/field/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/field/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/field/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/field/topol -maxwarn 10 >grompp.out 2>grompp.err 186s gmx check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/field/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 186s gmx mdrun -notunepme >mdrun.out 2>&1 186s gmx check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/field/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 186s gmx check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/field/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 186s PASSED but check mdp file differences 186s Testing nacl . . . gmx grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nacl/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nacl/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nacl/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nacl/topol -maxwarn 10 >grompp.out 2>grompp.err 186s gmx check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nacl/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 186s gmx mdrun -notunepme >mdrun.out 2>&1 186s gmx check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nacl/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 186s gmx check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nacl/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 186s PASSED but check mdp file differences 186s Testing nbnxn-energy-groups . . . gmx grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-energy-groups/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-energy-groups/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-energy-groups/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-energy-groups/topol -maxwarn 10 >grompp.out 2>grompp.err 186s gmx check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-energy-groups/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 186s gmx mdrun -nb cpu -notunepme >mdrun.out 2>&1 186s gmx check -e /tmp/autopkgtest.ZJGtTy/build.XAj/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 186s gmx check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-energy-groups/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 186s PASSED but check mdp file differences 186s Testing nbnxn-free-energy . . . gmx grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-free-energy/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-free-energy/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-free-energy/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-free-energy/topol -maxwarn 10 >grompp.out 2>grompp.err 186s gmx check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-free-energy/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 186s gmx mdrun -notunepme >mdrun.out 2>&1 187s gmx check -e /tmp/autopkgtest.ZJGtTy/build.XAj/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 187s gmx check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-free-energy/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 187s PASSED but check mdp file differences 187s Testing nbnxn-free-energy-vv . . . gmx grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-free-energy-vv/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-free-energy-vv/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-free-energy-vv/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-free-energy-vv/topol -maxwarn 10 >grompp.out 2>grompp.err 187s gmx check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-free-energy-vv/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 187s gmx mdrun -notunepme >mdrun.out 2>&1 187s gmx check -e /tmp/autopkgtest.ZJGtTy/build.XAj/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 187s gmx check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-free-energy-vv/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 187s PASSED but check mdp file differences 187s Testing nbnxn-ljpme-geometric . . . gmx grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-ljpme-geometric/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-ljpme-geometric/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-ljpme-geometric/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-ljpme-geometric/topol -maxwarn 10 >grompp.out 2>grompp.err 187s gmx check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-ljpme-geometric/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 187s gmx mdrun -notunepme >mdrun.out 2>&1 187s gmx check -e /tmp/autopkgtest.ZJGtTy/build.XAj/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 187s gmx check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-ljpme-geometric/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 187s PASSED but check mdp file differences 187s Testing nbnxn-ljpme-LB . . . gmx grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-ljpme-LB/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-ljpme-LB/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-ljpme-LB/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-ljpme-LB/topol -maxwarn 10 >grompp.out 2>grompp.err 187s gmx check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-ljpme-LB/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 187s gmx mdrun -notunepme >mdrun.out 2>&1 188s gmx check -e /tmp/autopkgtest.ZJGtTy/build.XAj/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 188s gmx check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-ljpme-LB/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 188s PASSED but check mdp file differences 188s Testing nbnxn-ljpme-LB-geometric . . . gmx grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/topol -maxwarn 10 >grompp.out 2>grompp.err 188s gmx check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 188s gmx mdrun -notunepme >mdrun.out 2>&1 188s gmx check -e /tmp/autopkgtest.ZJGtTy/build.XAj/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 188s gmx check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 188s PASSED but check mdp file differences 188s Testing nbnxn-vdw-force-switch . . . gmx grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-vdw-force-switch/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-vdw-force-switch/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-vdw-force-switch/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-vdw-force-switch/topol -maxwarn 10 >grompp.out 2>grompp.err 188s gmx check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-vdw-force-switch/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 188s gmx mdrun -notunepme >mdrun.out 2>&1 189s gmx check -e /tmp/autopkgtest.ZJGtTy/build.XAj/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 189s gmx check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-vdw-force-switch/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 189s PASSED but check mdp file differences 189s Testing nbnxn-vdw-potential-switch . . . gmx grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-vdw-potential-switch/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-vdw-potential-switch/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-vdw-potential-switch/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-vdw-potential-switch/topol -maxwarn 10 >grompp.out 2>grompp.err 189s gmx check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-vdw-potential-switch/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 189s gmx mdrun -notunepme >mdrun.out 2>&1 189s gmx check -e /tmp/autopkgtest.ZJGtTy/build.XAj/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 189s gmx check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-vdw-potential-switch/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 189s PASSED but check mdp file differences 189s Testing nbnxn-vdw-potential-switch-argon . . . gmx grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/topol -maxwarn 10 >grompp.out 2>grompp.err 189s gmx check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/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 189s gmx mdrun -notunepme >mdrun.out 2>&1 189s gmx check -e /tmp/autopkgtest.ZJGtTy/build.XAj/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 189s gmx check -f /tmp/autopkgtest.ZJGtTy/build.XAj/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 189s PASSED but check mdp file differences 189s Testing nbnxn_pme . . . gmx grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_pme/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_pme/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_pme/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_pme/topol -maxwarn 10 >grompp.out 2>grompp.err 189s gmx check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_pme/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 189s gmx mdrun -notunepme >mdrun.out 2>&1 189s gmx check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_pme/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 189s gmx check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_pme/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 189s PASSED but check mdp file differences 189s Testing nbnxn_pme_order5 . . . gmx grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_pme_order5/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_pme_order5/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_pme_order5/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_pme_order5/topol -maxwarn 10 >grompp.out 2>grompp.err 189s gmx check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_pme_order5/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 189s gmx mdrun -notunepme >mdrun.out 2>&1 190s gmx check -e /tmp/autopkgtest.ZJGtTy/build.XAj/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 190s gmx check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_pme_order5/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 190s PASSED but check mdp file differences 190s Testing nbnxn_pme_order6 . . . gmx grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_pme_order6/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_pme_order6/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_pme_order6/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_pme_order6/topol -maxwarn 10 >grompp.out 2>grompp.err 190s gmx check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_pme_order6/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 190s gmx mdrun -notunepme >mdrun.out 2>&1 190s gmx check -e /tmp/autopkgtest.ZJGtTy/build.XAj/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 190s gmx check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_pme_order6/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 190s PASSED but check mdp file differences 190s Testing nbnxn_rf . . . gmx grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_rf/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_rf/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_rf/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_rf/topol -maxwarn 10 >grompp.out 2>grompp.err 190s gmx check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_rf/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 190s gmx mdrun -notunepme >mdrun.out 2>&1 190s gmx check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_rf/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 190s gmx check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_rf/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 190s PASSED but check mdp file differences 190s Testing nbnxn_rzero . . . gmx grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_rzero/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_rzero/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_rzero/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_rzero/topol -maxwarn 10 >grompp.out 2>grompp.err 190s gmx check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_rzero/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 190s gmx mdrun -notunepme >mdrun.out 2>&1 190s gmx check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_rzero/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 190s gmx check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_rzero/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 190s PASSED but check mdp file differences 190s Testing nbnxn_vsite . . . gmx grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_vsite/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_vsite/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_vsite/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_vsite/topol -maxwarn 10 >grompp.out 2>grompp.err 190s gmx check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_vsite/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 190s gmx mdrun -ntmpi 6 -notunepme >mdrun.out 2>&1 203s gmx check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_vsite/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 203s gmx check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_vsite/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 203s PASSED but check mdp file differences 203s Testing nst_mismatch . . . gmx grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nst_mismatch/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nst_mismatch/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nst_mismatch/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nst_mismatch/topol -maxwarn 10 >grompp.out 2>grompp.err 204s gmx check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nst_mismatch/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 204s gmx mdrun -notunepme >mdrun.out 2>&1 204s gmx check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nst_mismatch/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 204s gmx check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nst_mismatch/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 204s PASSED but check mdp file differences 204s Testing octahedron . . . gmx grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/octahedron/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/octahedron/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/octahedron/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/octahedron/topol -maxwarn 10 >grompp.out 2>grompp.err 204s gmx check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/octahedron/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 204s gmx mdrun -notunepme >mdrun.out 2>&1 205s gmx check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/octahedron/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 205s gmx check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/octahedron/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 205s PASSED but check mdp file differences 205s Testing orientation-restraints . . . gmx grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/orientation-restraints/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/orientation-restraints/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/orientation-restraints/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/orientation-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 205s gmx check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/orientation-restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 205s gmx mdrun -ntmpi 1 -notunepme >mdrun.out 2>&1 210s gmx check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/orientation-restraints/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 210s gmx check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/orientation-restraints/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 210s PASSED but check mdp file differences 210s Testing position-restraints . . . gmx grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/position-restraints/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/position-restraints/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/position-restraints/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/position-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 211s gmx check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/position-restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 211s gmx mdrun -notunepme >mdrun.out 2>&1 211s gmx check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/position-restraints/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 211s gmx check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/position-restraints/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 211s PASSED but check mdp file differences 211s Testing pr-vrescale . . . gmx grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pr-vrescale/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pr-vrescale/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pr-vrescale/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pr-vrescale/topol -maxwarn 10 >grompp.out 2>grompp.err 211s gmx check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pr-vrescale/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 211s gmx mdrun -notunepme >mdrun.out 2>&1 211s gmx check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pr-vrescale/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 211s gmx check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pr-vrescale/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 211s PASSED but check mdp file differences 211s Testing pull_constraint . . . gmx grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_constraint/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_constraint/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_constraint/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_constraint/topol -maxwarn 10 -n /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_constraint/index >grompp.out 2>grompp.err 211s gmx check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_constraint/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 211s gmx mdrun -notunepme >mdrun.out 2>&1 211s gmx check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_constraint/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 211s gmx check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_constraint/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 211s PASSED but check mdp file differences 211s Testing pull_cylinder . . . gmx grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_cylinder/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_cylinder/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_cylinder/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_cylinder/topol -maxwarn 10 -n /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_cylinder/index >grompp.out 2>grompp.err 211s gmx check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_cylinder/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 211s gmx mdrun -notunepme >mdrun.out 2>&1 211s gmx check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_cylinder/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 211s gmx check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_cylinder/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 211s PASSED but check mdp file differences 211s Testing pull_geometry_angle . . . gmx grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_geometry_angle/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_geometry_angle/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_geometry_angle/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_geometry_angle/topol -maxwarn 10 -n /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_geometry_angle/index >grompp.out 2>grompp.err 212s gmx check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_geometry_angle/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 212s gmx mdrun -notunepme >mdrun.out 2>&1 212s gmx check -e /tmp/autopkgtest.ZJGtTy/build.XAj/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 212s gmx check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_geometry_angle/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 212s PASSED but check mdp file differences 212s Testing pull_geometry_angle-axis . . . gmx grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_geometry_angle-axis/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_geometry_angle-axis/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_geometry_angle-axis/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_geometry_angle-axis/topol -maxwarn 10 -n /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_geometry_angle-axis/index >grompp.out 2>grompp.err 212s gmx check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_geometry_angle-axis/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 212s gmx mdrun -notunepme >mdrun.out 2>&1 212s gmx check -e /tmp/autopkgtest.ZJGtTy/build.XAj/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 212s gmx check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_geometry_angle-axis/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 212s PASSED but check mdp file differences 212s Testing pull_geometry_dihedral . . . gmx grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_geometry_dihedral/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_geometry_dihedral/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_geometry_dihedral/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_geometry_dihedral/topol -maxwarn 10 -n /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_geometry_dihedral/index >grompp.out 2>grompp.err 212s gmx check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_geometry_dihedral/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 212s gmx mdrun -notunepme >mdrun.out 2>&1 212s gmx check -e /tmp/autopkgtest.ZJGtTy/build.XAj/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 212s gmx check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_geometry_dihedral/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 212s PASSED but check mdp file differences 212s Testing reb . . . gmx grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/reb/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/reb/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/reb/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/reb/topol -maxwarn 10 >grompp.out 2>grompp.err 212s gmx check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/reb/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 212s gmx mdrun -nb cpu -notunepme >mdrun.out 2>&1 212s gmx check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/reb/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 212s gmx check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/reb/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 212s PASSED but check mdp file differences 212s Testing sw . . . gmx grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/sw/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/sw/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/sw/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/sw/topol -maxwarn 10 >grompp.out 2>grompp.err 212s gmx check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/sw/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 212s gmx mdrun -ntmpi 1 -notunepme >mdrun.out 2>&1 214s gmx check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/sw/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.ZJGtTy/build.XAj/src/regressiontests/complex/sw/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 swap_x . . . gmx grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/swap_x/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/swap_x/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/swap_x/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/swap_x/topol -maxwarn 10 -n /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/swap_x/index >grompp.out 2>grompp.err 214s gmx check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/swap_x/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.ZJGtTy/build.XAj/src/regressiontests/complex/swap_x/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.ZJGtTy/build.XAj/src/regressiontests/complex/swap_x/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 swap_y . . . gmx grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/swap_y/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/swap_y/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/swap_y/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/swap_y/topol -maxwarn 10 -n /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/swap_y/index >grompp.out 2>grompp.err 215s gmx check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/swap_y/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.ZJGtTy/build.XAj/src/regressiontests/complex/swap_y/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.ZJGtTy/build.XAj/src/regressiontests/complex/swap_y/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 swap_z . . . gmx grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/swap_z/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/swap_z/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/swap_z/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/swap_z/topol -maxwarn 10 -n /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/swap_z/index >grompp.out 2>grompp.err 216s gmx check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/swap_z/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.ZJGtTy/build.XAj/src/regressiontests/complex/swap_z/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.ZJGtTy/build.XAj/src/regressiontests/complex/swap_z/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 tip4p . . . gmx grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/tip4p/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/tip4p/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/tip4p/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/tip4p/topol -maxwarn 10 >grompp.out 2>grompp.err 216s gmx check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/tip4p/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.ZJGtTy/build.XAj/src/regressiontests/complex/tip4p/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.ZJGtTy/build.XAj/src/regressiontests/complex/tip4p/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 tip4p_continue . . . gmx grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/tip4p_continue/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/tip4p_continue/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/tip4p_continue/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/tip4p_continue/topol -maxwarn 10 >grompp.out 2>grompp.err 217s gmx check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/tip4p_continue/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 217s gmx mdrun -notunepme -cpi /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/tip4p_continue/continue -noappend >mdrun.out 2>&1 217s gmx check -e /tmp/autopkgtest.ZJGtTy/build.XAj/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 217s gmx check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/tip4p_continue/reference_s.trr -f2 traj.part0002.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 217s PASSED but check mdp file differences 217s Testing tip4pflex . . . gmx grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/tip4pflex/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/tip4pflex/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/tip4pflex/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/tip4pflex/topol -maxwarn 10 >grompp.out 2>grompp.err 217s gmx check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/tip4pflex/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.ZJGtTy/build.XAj/src/regressiontests/complex/tip4pflex/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.ZJGtTy/build.XAj/src/regressiontests/complex/tip4pflex/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 urea . . . gmx grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/urea/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/urea/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/urea/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/urea/topol -maxwarn 10 >grompp.out 2>grompp.err 217s gmx check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/urea/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 218s gmx check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/urea/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.ZJGtTy/build.XAj/src/regressiontests/complex/urea/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 walls . . . gmx grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/walls/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/walls/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/walls/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/walls/topol -maxwarn 10 >grompp.out 2>grompp.err 218s gmx check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/walls/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.ZJGtTy/build.XAj/src/regressiontests/complex/walls/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.ZJGtTy/build.XAj/src/regressiontests/complex/walls/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 All 48 complex tests PASSED 218s All 0 extra tests PASSED 218s Testing linfix . . . 218s gmx grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/linfix/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/linfix/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/linfix/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/linfix/topol -maxwarn 2 >grompp.out 2>grompp.err 218s echo 0 | gmx make_edi -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/linfix/eigenvec.trr -outfrq 1 -linfix 1 -linstep 0.0013 -o sam.edi 1>make_edi.out 2>make_edi.err 218s gmx mdrun -ei sam.edi -eo linfix.xvg >mdrun.out 2>&1 218s Comparing column #0 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 0 218s Comparing column #1 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 0.05 218s Comparing column #2 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 1e-06 218s Testing linacc . . . 218s gmx grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/linacc/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/linacc/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/linacc/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/linacc/topol -maxwarn 2 >grompp.out 2>grompp.err 218s echo 0 | gmx make_edi -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/linacc/eigenvec.trr -outfrq 2 -linacc 1 -accdir +1 -o sam.edi 1>make_edi.out 2>make_edi.err 218s gmx mdrun -ei sam.edi -eo linacc.xvg >mdrun.out 2>&1 218s Comparing column #0 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0 218s Comparing column #1 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0.005 218s Comparing column #2 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0.001 218s Checking monotonicity for column 2 of file linacc.xvg ... values of column 2 are increasing monotonically. 218s Testing radfix . . . 218s gmx grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/radfix/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/radfix/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/radfix/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/radfix/topol -maxwarn 2 >grompp.out 2>grompp.err 218s echo 0 | gmx make_edi -f /tmp/autopkgtest.ZJGtTy/build.XAj/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 218s gmx mdrun -ei sam.edi -eo radfix.xvg >mdrun.out 2>&1 218s Comparing column #0 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0 218s Comparing column #1 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0.05 218s Comparing column #4 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0 218s Checking radius for file radfix.xvg ... all values within tolerance of 1e-05 218s Testing radacc . . . 218s gmx grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/radacc/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/radacc/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/radacc/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/radacc/topol -maxwarn 2 >grompp.out 2>grompp.err 218s echo 0 | gmx make_edi -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/radacc/eigenvec.trr -outfrq 3 -radacc 1-2 -o sam.edi 1>make_edi.out 2>make_edi.err 218s gmx mdrun -ei sam.edi -eo radacc.xvg >mdrun.out 2>&1 218s Comparing column #0 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/radacc/edsam_reference.xvg and radacc.xvg ... all within tolerance of 0 218s Comparing column #1 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/radacc/edsam_reference.xvg and radacc.xvg ... all within tolerance of 0.05 218s Checking radius for file radacc.xvg ... all values within tolerance of 1e-05 218s Checking monotonicity for column 4 of file radacc.xvg ... values of column 4 are increasing monotonically. 218s Testing radcon . . . 218s gmx grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/radcon/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/radcon/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/radcon/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/radcon/topol -maxwarn 2 >grompp.out 2>grompp.err 218s echo 0 0 | gmx make_edi -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/radcon/eigenvec.trr -outfrq 1 -radcon 1-2 -tar /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/radcon/target.pdb -o sam.edi 1>make_edi.out 2>make_edi.err 218s gmx mdrun -ei sam.edi -eo radcon.xvg >mdrun.out 2>&1 218s Comparing column #0 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/radcon/edsam_reference.xvg and radcon.xvg ... all within tolerance of 0 218s Comparing column #1 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/radcon/edsam_reference.xvg and radcon.xvg ... all within tolerance of 0.05 218s Checking radius for file radcon.xvg ... all values within tolerance of 1e-05 218s Checking monotonicity for column 4 of file radcon.xvg ... values of column 4 are decreasing monotonically. 218s Testing flooding1 . . . 218s gmx grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding1/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding1/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding1/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding1/topol -maxwarn 2 >grompp.out 2>grompp.err 218s gmx mdrun -ei /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding1/sam.edi -eo flooding1.xvg >mdrun.out 2>&1 219s Comparing column #0 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 0 219s Comparing column #1 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 219s Comparing column #2 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 219s Comparing column #3 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 219s Comparing column #4 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 219s Comparing column #5 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 219s Comparing column #6 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 219s Comparing column #7 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 219s Testing flooding2 . . . 219s gmx grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding2/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding2/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding2/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding2/topol -maxwarn 2 >grompp.out 2>grompp.err 219s gmx mdrun -ei /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding2/sam.edi -eo flooding2.xvg >mdrun.out 2>&1 221s Comparing column #0 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0 221s Comparing column #1 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.05 221s Comparing column #2 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.025 221s Comparing column #3 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 250 221s Comparing column #4 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 1000 221s Comparing column #5 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.025 221s Comparing column #6 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 250 221s Comparing column #7 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 1000 221s All 7 essential dynamics tests PASSED 221s ======================================================== 221s Starting regression tests: basic build, double precision 221s ======================================================== 221s Testing acetonitrilRF . . . gmx_d grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/acetonitrilRF/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/acetonitrilRF/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/acetonitrilRF/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/acetonitrilRF/topol -maxwarn 10 >grompp.out 2>grompp.err 221s gmx_d check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/acetonitrilRF/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 221s gmx_d mdrun -nb cpu -notunepme >mdrun.out 2>&1 221s gmx_d check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/acetonitrilRF/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 221s gmx_d check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/acetonitrilRF/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 221s PASSED but check mdp file differences 221s Testing aminoacids . . . gmx_d grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/aminoacids/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/aminoacids/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/aminoacids/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/aminoacids/topol -maxwarn 10 >grompp.out 2>grompp.err 221s gmx_d check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/aminoacids/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 221s gmx_d mdrun -notunepme >mdrun.out 2>&1 222s gmx_d check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/aminoacids/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 222s gmx_d check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/aminoacids/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 222s PASSED but check mdp file differences 222s Testing argon . . . gmx_d grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/argon/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/argon/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/argon/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/argon/topol -maxwarn 10 >grompp.out 2>grompp.err 222s gmx_d check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/argon/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 222s gmx_d mdrun -nb cpu -notunepme >mdrun.out 2>&1 222s gmx_d check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/argon/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 222s gmx_d check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/argon/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 222s PASSED but check mdp file differences 222s Testing awh_multibias . . . gmx_d grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/awh_multibias/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/awh_multibias/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/awh_multibias/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/awh_multibias/topol -maxwarn 10 -n /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/awh_multibias/index >grompp.out 2>grompp.err 222s gmx_d check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/awh_multibias/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 222s gmx_d mdrun -notunepme -cpi /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/awh_multibias/continue -noappend >mdrun.out 2>&1 222s gmx_d check -e /tmp/autopkgtest.ZJGtTy/build.XAj/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 222s gmx_d check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/awh_multibias/reference_d.trr -f2 traj.part0002.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 222s PASSED but check mdp file differences 222s Testing awh_multidim . . . gmx_d grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/awh_multidim/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/awh_multidim/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/awh_multidim/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/awh_multidim/topol -maxwarn 10 -n /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/awh_multidim/index >grompp.out 2>grompp.err 222s gmx_d check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/awh_multidim/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 222s gmx_d mdrun -notunepme >mdrun.out 2>&1 222s gmx_d check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/awh_multidim/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 222s gmx_d check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/awh_multidim/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 222s PASSED but check mdp file differences 222s Testing butane . . . gmx_d grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/butane/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/butane/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/butane/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/butane/topol -maxwarn 10 >grompp.out 2>grompp.err 222s gmx_d check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/butane/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 222s gmx_d mdrun -notunepme >mdrun.out 2>&1 222s gmx_d check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/butane/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 222s gmx_d check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/butane/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 222s PASSED but check mdp file differences 222s Testing cbt . . . gmx_d grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/cbt/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/cbt/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/cbt/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/cbt/topol -maxwarn 10 >grompp.out 2>grompp.err 222s gmx_d check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/cbt/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 222s gmx_d mdrun -nb cpu -notunepme >mdrun.out 2>&1 222s gmx_d check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/cbt/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 222s gmx_d check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/cbt/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 222s PASSED but check mdp file differences 222s Testing dd121 . . . gmx_d grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/dd121/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/dd121/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/dd121/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/dd121/topol -maxwarn 10 >grompp.out 2>grompp.err 222s gmx_d check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/dd121/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 222s gmx_d mdrun -ntmpi 12 -notunepme >mdrun.out 2>&1 253s gmx_d check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/dd121/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 253s gmx_d check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/dd121/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 253s PASSED but check mdp file differences 253s Testing dec+water . . . gmx_d grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/dec+water/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/dec+water/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/dec+water/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/dec+water/topol -maxwarn 10 >grompp.out 2>grompp.err 253s gmx_d check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/dec+water/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 253s gmx_d mdrun -nb cpu -notunepme >mdrun.out 2>&1 254s gmx_d check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/dec+water/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 254s gmx_d check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/dec+water/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 254s PASSED but check mdp file differences 254s Testing distance_restraints . . . gmx_d grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/distance_restraints/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/distance_restraints/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/distance_restraints/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/distance_restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 254s gmx_d check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/distance_restraints/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 254s gmx_d mdrun -ntmpi 1 -notunepme >mdrun.out 2>&1 254s gmx_d check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/distance_restraints/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 254s gmx_d check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/distance_restraints/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 254s PASSED but check mdp file differences 254s Testing ethyleenglycol . . . gmx_d grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/ethyleenglycol/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/ethyleenglycol/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/ethyleenglycol/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/ethyleenglycol/topol -maxwarn 10 >grompp.out 2>grompp.err 254s gmx_d check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/ethyleenglycol/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 254s gmx_d mdrun -notunepme >mdrun.out 2>&1 254s gmx_d check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/ethyleenglycol/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 254s gmx_d check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/ethyleenglycol/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 254s PASSED but check mdp file differences 254s Testing field . . . gmx_d grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/field/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/field/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/field/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/field/topol -maxwarn 10 >grompp.out 2>grompp.err 254s gmx_d check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/field/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 254s gmx_d mdrun -notunepme >mdrun.out 2>&1 254s gmx_d check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/field/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 254s gmx_d check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/field/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 255s PASSED but check mdp file differences 255s Testing nacl . . . gmx_d grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nacl/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nacl/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nacl/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nacl/topol -maxwarn 10 >grompp.out 2>grompp.err 255s gmx_d check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nacl/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 255s gmx_d mdrun -notunepme >mdrun.out 2>&1 255s gmx_d check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nacl/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 255s gmx_d check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nacl/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 255s PASSED but check mdp file differences 255s Testing nbnxn-energy-groups . . . gmx_d grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-energy-groups/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-energy-groups/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-energy-groups/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-energy-groups/topol -maxwarn 10 >grompp.out 2>grompp.err 255s gmx_d check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-energy-groups/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 255s gmx_d mdrun -nb cpu -notunepme >mdrun.out 2>&1 255s gmx_d check -e /tmp/autopkgtest.ZJGtTy/build.XAj/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 255s gmx_d check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-energy-groups/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 255s PASSED but check mdp file differences 255s Testing nbnxn-free-energy . . . gmx_d grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-free-energy/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-free-energy/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-free-energy/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-free-energy/topol -maxwarn 10 >grompp.out 2>grompp.err 255s gmx_d check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-free-energy/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 255s gmx_d mdrun -notunepme >mdrun.out 2>&1 255s gmx_d check -e /tmp/autopkgtest.ZJGtTy/build.XAj/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 255s gmx_d check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-free-energy/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 255s PASSED but check mdp file differences 255s Testing nbnxn-free-energy-vv . . . gmx_d grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-free-energy-vv/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-free-energy-vv/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-free-energy-vv/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-free-energy-vv/topol -maxwarn 10 >grompp.out 2>grompp.err 256s gmx_d check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-free-energy-vv/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 256s gmx_d mdrun -notunepme >mdrun.out 2>&1 256s gmx_d check -e /tmp/autopkgtest.ZJGtTy/build.XAj/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 256s gmx_d check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-free-energy-vv/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 256s PASSED but check mdp file differences 256s Testing nbnxn-ljpme-geometric . . . gmx_d grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-ljpme-geometric/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-ljpme-geometric/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-ljpme-geometric/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-ljpme-geometric/topol -maxwarn 10 >grompp.out 2>grompp.err 256s gmx_d check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-ljpme-geometric/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 256s gmx_d mdrun -notunepme >mdrun.out 2>&1 256s gmx_d check -e /tmp/autopkgtest.ZJGtTy/build.XAj/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 256s gmx_d check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-ljpme-geometric/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 256s PASSED but check mdp file differences 256s Testing nbnxn-ljpme-LB . . . gmx_d grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-ljpme-LB/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-ljpme-LB/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-ljpme-LB/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-ljpme-LB/topol -maxwarn 10 >grompp.out 2>grompp.err 256s gmx_d check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-ljpme-LB/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 256s gmx_d mdrun -notunepme >mdrun.out 2>&1 257s gmx_d check -e /tmp/autopkgtest.ZJGtTy/build.XAj/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 257s gmx_d check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-ljpme-LB/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 257s PASSED but check mdp file differences 257s Testing nbnxn-ljpme-LB-geometric . . . gmx_d grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/topol -maxwarn 10 >grompp.out 2>grompp.err 257s gmx_d check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 257s gmx_d mdrun -notunepme >mdrun.out 2>&1 257s gmx_d check -e /tmp/autopkgtest.ZJGtTy/build.XAj/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 257s gmx_d check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 257s PASSED but check mdp file differences 257s Testing nbnxn-vdw-force-switch . . . gmx_d grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-vdw-force-switch/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-vdw-force-switch/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-vdw-force-switch/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-vdw-force-switch/topol -maxwarn 10 >grompp.out 2>grompp.err 257s gmx_d check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-vdw-force-switch/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 257s gmx_d mdrun -notunepme >mdrun.out 2>&1 258s gmx_d check -e /tmp/autopkgtest.ZJGtTy/build.XAj/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 258s gmx_d check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-vdw-force-switch/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 258s PASSED but check mdp file differences 258s Testing nbnxn-vdw-potential-switch . . . gmx_d grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-vdw-potential-switch/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-vdw-potential-switch/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-vdw-potential-switch/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-vdw-potential-switch/topol -maxwarn 10 >grompp.out 2>grompp.err 258s gmx_d check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-vdw-potential-switch/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 258s gmx_d mdrun -notunepme >mdrun.out 2>&1 258s gmx_d check -e /tmp/autopkgtest.ZJGtTy/build.XAj/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 258s gmx_d check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-vdw-potential-switch/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 258s PASSED but check mdp file differences 258s Testing nbnxn-vdw-potential-switch-argon . . . gmx_d grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/topol -maxwarn 10 >grompp.out 2>grompp.err 258s gmx_d check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/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 258s gmx_d mdrun -notunepme >mdrun.out 2>&1 258s gmx_d check -e /tmp/autopkgtest.ZJGtTy/build.XAj/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 258s gmx_d check -f /tmp/autopkgtest.ZJGtTy/build.XAj/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 258s PASSED but check mdp file differences 258s Testing nbnxn_pme . . . gmx_d grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_pme/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_pme/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_pme/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_pme/topol -maxwarn 10 >grompp.out 2>grompp.err 258s gmx_d check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_pme/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 258s gmx_d mdrun -notunepme >mdrun.out 2>&1 258s gmx_d check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_pme/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 258s gmx_d check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_pme/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 258s PASSED but check mdp file differences 258s Testing nbnxn_pme_order5 . . . gmx_d grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_pme_order5/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_pme_order5/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_pme_order5/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_pme_order5/topol -maxwarn 10 >grompp.out 2>grompp.err 258s gmx_d check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_pme_order5/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 258s gmx_d mdrun -notunepme >mdrun.out 2>&1 259s gmx_d check -e /tmp/autopkgtest.ZJGtTy/build.XAj/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 259s gmx_d check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_pme_order5/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 259s PASSED but check mdp file differences 259s Testing nbnxn_pme_order6 . . . gmx_d grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_pme_order6/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_pme_order6/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_pme_order6/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_pme_order6/topol -maxwarn 10 >grompp.out 2>grompp.err 259s gmx_d check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_pme_order6/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 259s gmx_d mdrun -notunepme >mdrun.out 2>&1 259s gmx_d check -e /tmp/autopkgtest.ZJGtTy/build.XAj/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 259s gmx_d check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_pme_order6/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 259s PASSED but check mdp file differences 259s Testing nbnxn_rf . . . gmx_d grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_rf/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_rf/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_rf/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_rf/topol -maxwarn 10 >grompp.out 2>grompp.err 259s gmx_d check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_rf/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 259s gmx_d mdrun -notunepme >mdrun.out 2>&1 259s gmx_d check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_rf/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 259s gmx_d check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_rf/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 259s PASSED but check mdp file differences 259s Testing nbnxn_rzero . . . gmx_d grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_rzero/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_rzero/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_rzero/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_rzero/topol -maxwarn 10 >grompp.out 2>grompp.err 259s gmx_d check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_rzero/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 259s gmx_d mdrun -notunepme >mdrun.out 2>&1 259s gmx_d check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_rzero/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 259s gmx_d check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_rzero/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 259s PASSED but check mdp file differences 259s Testing nbnxn_vsite . . . gmx_d grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_vsite/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_vsite/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_vsite/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_vsite/topol -maxwarn 10 >grompp.out 2>grompp.err 259s gmx_d check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_vsite/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 259s gmx_d mdrun -ntmpi 6 -notunepme >mdrun.out 2>&1 272s gmx_d check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_vsite/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 272s gmx_d check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_vsite/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 272s PASSED but check mdp file differences 272s Testing nst_mismatch . . . gmx_d grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nst_mismatch/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nst_mismatch/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nst_mismatch/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nst_mismatch/topol -maxwarn 10 >grompp.out 2>grompp.err 272s gmx_d check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nst_mismatch/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 272s gmx_d mdrun -notunepme >mdrun.out 2>&1 273s gmx_d check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nst_mismatch/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 273s gmx_d check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nst_mismatch/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 273s PASSED but check mdp file differences 273s Testing octahedron . . . gmx_d grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/octahedron/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/octahedron/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/octahedron/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/octahedron/topol -maxwarn 10 >grompp.out 2>grompp.err 273s gmx_d check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/octahedron/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 273s gmx_d mdrun -notunepme >mdrun.out 2>&1 274s gmx_d check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/octahedron/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 274s gmx_d check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/octahedron/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 274s PASSED but check mdp file differences 274s Testing orientation-restraints . . . gmx_d grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/orientation-restraints/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/orientation-restraints/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/orientation-restraints/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/orientation-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 274s gmx_d check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/orientation-restraints/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 274s gmx_d mdrun -ntmpi 1 -notunepme >mdrun.out 2>&1 280s gmx_d check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/orientation-restraints/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 280s gmx_d check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/orientation-restraints/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 280s PASSED but check mdp file differences 280s Testing position-restraints . . . gmx_d grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/position-restraints/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/position-restraints/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/position-restraints/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/position-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 280s gmx_d check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/position-restraints/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 280s gmx_d mdrun -notunepme >mdrun.out 2>&1 280s gmx_d check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/position-restraints/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 280s gmx_d check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/position-restraints/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 280s PASSED but check mdp file differences 280s Testing pr-vrescale . . . gmx_d grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pr-vrescale/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pr-vrescale/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pr-vrescale/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pr-vrescale/topol -maxwarn 10 >grompp.out 2>grompp.err 280s gmx_d check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pr-vrescale/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 280s gmx_d mdrun -notunepme >mdrun.out 2>&1 280s gmx_d check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pr-vrescale/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 281s gmx_d check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pr-vrescale/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 281s PASSED but check mdp file differences 281s Testing pull_constraint . . . gmx_d grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_constraint/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_constraint/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_constraint/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_constraint/topol -maxwarn 10 -n /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_constraint/index >grompp.out 2>grompp.err 281s gmx_d check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_constraint/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 281s gmx_d mdrun -notunepme >mdrun.out 2>&1 281s gmx_d check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_constraint/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 281s gmx_d check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_constraint/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 281s PASSED but check mdp file differences 281s Testing pull_cylinder . . . gmx_d grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_cylinder/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_cylinder/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_cylinder/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_cylinder/topol -maxwarn 10 -n /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_cylinder/index >grompp.out 2>grompp.err 281s gmx_d check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_cylinder/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 281s gmx_d mdrun -notunepme >mdrun.out 2>&1 281s gmx_d check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_cylinder/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 281s gmx_d check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_cylinder/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 281s PASSED but check mdp file differences 281s Testing pull_geometry_angle . . . gmx_d grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_geometry_angle/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_geometry_angle/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_geometry_angle/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_geometry_angle/topol -maxwarn 10 -n /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_geometry_angle/index >grompp.out 2>grompp.err 281s gmx_d check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_geometry_angle/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 281s gmx_d mdrun -notunepme >mdrun.out 2>&1 281s gmx_d check -e /tmp/autopkgtest.ZJGtTy/build.XAj/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 281s gmx_d check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_geometry_angle/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 281s PASSED but check mdp file differences 281s Testing pull_geometry_angle-axis . . . gmx_d grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_geometry_angle-axis/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_geometry_angle-axis/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_geometry_angle-axis/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_geometry_angle-axis/topol -maxwarn 10 -n /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_geometry_angle-axis/index >grompp.out 2>grompp.err 281s gmx_d check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_geometry_angle-axis/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 281s gmx_d mdrun -notunepme >mdrun.out 2>&1 281s gmx_d check -e /tmp/autopkgtest.ZJGtTy/build.XAj/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 281s gmx_d check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_geometry_angle-axis/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 281s PASSED but check mdp file differences 281s Testing pull_geometry_dihedral . . . gmx_d grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_geometry_dihedral/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_geometry_dihedral/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_geometry_dihedral/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_geometry_dihedral/topol -maxwarn 10 -n /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_geometry_dihedral/index >grompp.out 2>grompp.err 281s gmx_d check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_geometry_dihedral/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 281s gmx_d mdrun -notunepme >mdrun.out 2>&1 282s gmx_d check -e /tmp/autopkgtest.ZJGtTy/build.XAj/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 282s gmx_d check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_geometry_dihedral/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 282s PASSED but check mdp file differences 282s Testing reb . . . gmx_d grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/reb/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/reb/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/reb/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/reb/topol -maxwarn 10 >grompp.out 2>grompp.err 282s gmx_d check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/reb/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 282s gmx_d mdrun -nb cpu -notunepme >mdrun.out 2>&1 282s gmx_d check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/reb/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 282s gmx_d check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/reb/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 282s PASSED but check mdp file differences 282s Testing sw . . . gmx_d grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/sw/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/sw/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/sw/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/sw/topol -maxwarn 10 >grompp.out 2>grompp.err 282s gmx_d check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/sw/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 282s gmx_d mdrun -ntmpi 1 -notunepme >mdrun.out 2>&1 283s gmx_d check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/sw/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 283s gmx_d check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/sw/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 283s PASSED but check mdp file differences 283s Testing swap_x . . . gmx_d grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/swap_x/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/swap_x/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/swap_x/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/swap_x/topol -maxwarn 10 -n /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/swap_x/index >grompp.out 2>grompp.err 283s gmx_d check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/swap_x/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 283s gmx_d mdrun -notunepme >mdrun.out 2>&1 284s gmx_d check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/swap_x/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 284s gmx_d check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/swap_x/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 284s PASSED but check mdp file differences 284s Testing swap_y . . . gmx_d grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/swap_y/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/swap_y/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/swap_y/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/swap_y/topol -maxwarn 10 -n /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/swap_y/index >grompp.out 2>grompp.err 284s gmx_d check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/swap_y/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 284s gmx_d mdrun -notunepme >mdrun.out 2>&1 285s gmx_d check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/swap_y/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 285s gmx_d check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/swap_y/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 285s PASSED but check mdp file differences 285s Testing swap_z . . . gmx_d grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/swap_z/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/swap_z/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/swap_z/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/swap_z/topol -maxwarn 10 -n /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/swap_z/index >grompp.out 2>grompp.err 285s gmx_d check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/swap_z/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 285s gmx_d mdrun -notunepme >mdrun.out 2>&1 286s gmx_d check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/swap_z/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 286s gmx_d check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/swap_z/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 286s PASSED but check mdp file differences 286s Testing tip4p . . . gmx_d grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/tip4p/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/tip4p/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/tip4p/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/tip4p/topol -maxwarn 10 >grompp.out 2>grompp.err 286s gmx_d check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/tip4p/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 286s gmx_d mdrun -notunepme >mdrun.out 2>&1 286s gmx_d check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/tip4p/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 286s gmx_d check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/tip4p/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 286s PASSED but check mdp file differences 286s Testing tip4p_continue . . . gmx_d grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/tip4p_continue/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/tip4p_continue/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/tip4p_continue/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/tip4p_continue/topol -maxwarn 10 >grompp.out 2>grompp.err 286s gmx_d check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/tip4p_continue/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 286s gmx_d mdrun -notunepme -cpi /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/tip4p_continue/continue -noappend >mdrun.out 2>&1 287s gmx_d check -e /tmp/autopkgtest.ZJGtTy/build.XAj/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 287s gmx_d check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/tip4p_continue/reference_d.trr -f2 traj.part0002.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 287s PASSED but check mdp file differences 287s Testing tip4pflex . . . gmx_d grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/tip4pflex/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/tip4pflex/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/tip4pflex/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/tip4pflex/topol -maxwarn 10 >grompp.out 2>grompp.err 287s gmx_d check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/tip4pflex/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 287s gmx_d mdrun -notunepme >mdrun.out 2>&1 287s gmx_d check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/tip4pflex/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 287s gmx_d check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/tip4pflex/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 287s PASSED but check mdp file differences 287s Testing urea . . . gmx_d grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/urea/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/urea/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/urea/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/urea/topol -maxwarn 10 >grompp.out 2>grompp.err 287s gmx_d check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/urea/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 287s gmx_d mdrun -notunepme >mdrun.out 2>&1 287s gmx_d check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/urea/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 287s gmx_d check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/urea/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 287s PASSED but check mdp file differences 287s Testing walls . . . gmx_d grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/walls/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/walls/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/walls/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/walls/topol -maxwarn 10 >grompp.out 2>grompp.err 288s gmx_d check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/walls/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 288s gmx_d mdrun -notunepme >mdrun.out 2>&1 288s gmx_d check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/walls/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 288s gmx_d check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/walls/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 288s PASSED but check mdp file differences 288s All 48 complex tests PASSED 288s All 0 extra tests PASSED 288s Testing linfix . . . 288s gmx_d grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/linfix/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/linfix/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/linfix/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/linfix/topol -maxwarn 2 >grompp.out 2>grompp.err 288s echo 0 | gmx_d make_edi -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/linfix/eigenvec.trr -outfrq 1 -linfix 1 -linstep 0.0013 -o sam.edi 1>make_edi.out 2>make_edi.err 288s gmx_d mdrun -ei sam.edi -eo linfix.xvg >mdrun.out 2>&1 288s Comparing column #0 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 0 288s Comparing column #1 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 0.05 288s Comparing column #2 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 1e-06 288s Testing linacc . . . 288s gmx_d grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/linacc/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/linacc/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/linacc/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/linacc/topol -maxwarn 2 >grompp.out 2>grompp.err 288s echo 0 | gmx_d make_edi -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/linacc/eigenvec.trr -outfrq 2 -linacc 1 -accdir +1 -o sam.edi 1>make_edi.out 2>make_edi.err 288s gmx_d mdrun -ei sam.edi -eo linacc.xvg >mdrun.out 2>&1 288s Comparing column #0 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0 288s Comparing column #1 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0.005 288s Comparing column #2 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0.001 288s Checking monotonicity for column 2 of file linacc.xvg ... values of column 2 are increasing monotonically. 288s Testing radfix . . . 288s gmx_d grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/radfix/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/radfix/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/radfix/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/radfix/topol -maxwarn 2 >grompp.out 2>grompp.err 288s echo 0 | gmx_d make_edi -f /tmp/autopkgtest.ZJGtTy/build.XAj/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 288s gmx_d mdrun -ei sam.edi -eo radfix.xvg >mdrun.out 2>&1 288s Comparing column #0 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0 288s Comparing column #1 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0.05 288s Comparing column #4 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0 288s Checking radius for file radfix.xvg ... all values within tolerance of 1e-05 288s Testing radacc . . . 288s gmx_d grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/radacc/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/radacc/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/radacc/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/radacc/topol -maxwarn 2 >grompp.out 2>grompp.err 288s echo 0 | gmx_d make_edi -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/radacc/eigenvec.trr -outfrq 3 -radacc 1-2 -o sam.edi 1>make_edi.out 2>make_edi.err 288s gmx_d mdrun -ei sam.edi -eo radacc.xvg >mdrun.out 2>&1 288s Comparing column #0 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/radacc/edsam_reference.xvg and radacc.xvg ... all within tolerance of 0 288s Comparing column #1 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/radacc/edsam_reference.xvg and radacc.xvg ... all within tolerance of 0.05 288s Checking radius for file radacc.xvg ... all values within tolerance of 1e-05 288s Checking monotonicity for column 4 of file radacc.xvg ... values of column 4 are increasing monotonically. 288s Testing radcon . . . 288s gmx_d grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/radcon/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/radcon/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/radcon/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/radcon/topol -maxwarn 2 >grompp.out 2>grompp.err 288s echo 0 0 | gmx_d make_edi -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/radcon/eigenvec.trr -outfrq 1 -radcon 1-2 -tar /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/radcon/target.pdb -o sam.edi 1>make_edi.out 2>make_edi.err 288s gmx_d mdrun -ei sam.edi -eo radcon.xvg >mdrun.out 2>&1 288s Comparing column #0 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/radcon/edsam_reference.xvg and radcon.xvg ... all within tolerance of 0 288s Comparing column #1 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/radcon/edsam_reference.xvg and radcon.xvg ... all within tolerance of 0.05 288s Checking radius for file radcon.xvg ... all values within tolerance of 1e-05 288s Checking monotonicity for column 4 of file radcon.xvg ... values of column 4 are decreasing monotonically. 288s Testing flooding1 . . . 288s gmx_d grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding1/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding1/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding1/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding1/topol -maxwarn 2 >grompp.out 2>grompp.err 288s gmx_d mdrun -ei /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding1/sam.edi -eo flooding1.xvg >mdrun.out 2>&1 289s Comparing column #0 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 0 289s Comparing column #1 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 289s Comparing column #2 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 289s Comparing column #3 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 289s Comparing column #4 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 289s Comparing column #5 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 289s Comparing column #6 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 289s Comparing column #7 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 289s Testing flooding2 . . . 289s gmx_d grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding2/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding2/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding2/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding2/topol -maxwarn 2 >grompp.out 2>grompp.err 289s gmx_d mdrun -ei /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding2/sam.edi -eo flooding2.xvg >mdrun.out 2>&1 291s Comparing column #0 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0 291s Comparing column #1 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.05 291s Comparing column #2 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.025 291s Comparing column #3 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 250 291s Comparing column #4 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 1000 291s Comparing column #5 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.025 291s Comparing column #6 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 250 291s Comparing column #7 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 1000 291s All 7 essential dynamics tests PASSED 291s ============================================================= 291s Starting regression tests: MPI build, single precision (only) 291s ============================================================= 291s Will test on 4 MPI ranks (if possible) 291s Testing acetonitrilRF . . . gmx_mpi grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/acetonitrilRF/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/acetonitrilRF/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/acetonitrilRF/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/acetonitrilRF/topol -maxwarn 10 >grompp.out 2>grompp.err 291s gmx_mpi check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/acetonitrilRF/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 291s mpirun -np 4 -wdir /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/acetonitrilRF gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1 291s gmx_mpi check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/acetonitrilRF/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 292s gmx_mpi check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/acetonitrilRF/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 292s PASSED but check mdp file differences 292s Testing aminoacids . . . gmx_mpi grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/aminoacids/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/aminoacids/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/aminoacids/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/aminoacids/topol -maxwarn 10 >grompp.out 2>grompp.err 292s gmx_mpi check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/aminoacids/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 292s mpirun -np 4 -wdir /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/aminoacids gmx_mpi mdrun -notunepme >mdrun.out 2>&1 293s gmx_mpi check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/aminoacids/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 293s gmx_mpi check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/aminoacids/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 293s PASSED but check mdp file differences 293s Testing argon . . . gmx_mpi grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/argon/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/argon/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/argon/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/argon/topol -maxwarn 10 >grompp.out 2>grompp.err 293s gmx_mpi check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/argon/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 293s mpirun -np 4 -wdir /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/argon gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1 294s gmx_mpi check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/argon/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 294s gmx_mpi check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/argon/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 294s PASSED but check mdp file differences 294s Testing awh_multibias . . . gmx_mpi grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/awh_multibias/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/awh_multibias/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/awh_multibias/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/awh_multibias/topol -maxwarn 10 -n /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/awh_multibias/index >grompp.out 2>grompp.err 294s gmx_mpi check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/awh_multibias/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 294s mpirun -np 4 -wdir /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/awh_multibias gmx_mpi mdrun -notunepme -cpi /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/awh_multibias/continue -noappend >mdrun.out 2>&1 294s gmx_mpi check -e /tmp/autopkgtest.ZJGtTy/build.XAj/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 294s gmx_mpi check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/awh_multibias/reference_s.trr -f2 traj.part0002.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 294s PASSED but check mdp file differences 294s Testing awh_multidim . . . gmx_mpi grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/awh_multidim/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/awh_multidim/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/awh_multidim/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/awh_multidim/topol -maxwarn 10 -n /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/awh_multidim/index >grompp.out 2>grompp.err 294s gmx_mpi check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/awh_multidim/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 294s mpirun -np 4 -wdir /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/awh_multidim gmx_mpi mdrun -notunepme >mdrun.out 2>&1 294s gmx_mpi check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/awh_multidim/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 294s gmx_mpi check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/awh_multidim/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 294s PASSED but check mdp file differences 294s Testing butane . . . gmx_mpi grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/butane/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/butane/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/butane/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/butane/topol -maxwarn 10 >grompp.out 2>grompp.err 295s gmx_mpi check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/butane/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 295s mpirun -np 4 -wdir /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/butane gmx_mpi mdrun -notunepme >mdrun.out 2>&1 295s gmx_mpi check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/butane/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 295s gmx_mpi check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/butane/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 295s PASSED but check mdp file differences 295s Testing cbt . . . gmx_mpi grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/cbt/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/cbt/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/cbt/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/cbt/topol -maxwarn 10 >grompp.out 2>grompp.err 295s gmx_mpi check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/cbt/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 295s mpirun -np 4 -wdir /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/cbt gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1 295s gmx_mpi check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/cbt/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 295s gmx_mpi check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/cbt/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 295s PASSED but check mdp file differences 295s Testing dd121 . . . gmx_mpi grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/dd121/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/dd121/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/dd121/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/dd121/topol -maxwarn 10 >grompp.out 2>grompp.err 295s gmx_mpi check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/dd121/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 295s mpirun -np 4 -wdir /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/dd121 gmx_mpi mdrun -notunepme >mdrun.out 2>&1 296s gmx_mpi check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/dd121/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 296s gmx_mpi check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/dd121/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 296s PASSED but check mdp file differences 296s Testing dec+water . . . gmx_mpi grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/dec+water/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/dec+water/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/dec+water/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/dec+water/topol -maxwarn 10 >grompp.out 2>grompp.err 296s gmx_mpi check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/dec+water/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 296s mpirun -np 4 -wdir /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/dec+water gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1 296s gmx_mpi check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/dec+water/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 296s gmx_mpi check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/dec+water/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 297s PASSED but check mdp file differences 297s Testing distance_restraints . . . gmx_mpi grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/distance_restraints/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/distance_restraints/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/distance_restraints/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/distance_restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 297s gmx_mpi check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/distance_restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 297s mpirun -np 1 -wdir /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/distance_restraints gmx_mpi mdrun -notunepme >mdrun.out 2>&1 297s gmx_mpi check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/distance_restraints/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 297s gmx_mpi check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/distance_restraints/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 297s PASSED but check mdp file differences 297s Testing ethyleenglycol . . . gmx_mpi grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/ethyleenglycol/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/ethyleenglycol/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/ethyleenglycol/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/ethyleenglycol/topol -maxwarn 10 >grompp.out 2>grompp.err 297s gmx_mpi check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/ethyleenglycol/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 297s mpirun -np 4 -wdir /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/ethyleenglycol gmx_mpi mdrun -notunepme >mdrun.out 2>&1 298s gmx_mpi check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/ethyleenglycol/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 298s gmx_mpi check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/ethyleenglycol/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 298s PASSED but check mdp file differences 298s Testing field . . . gmx_mpi grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/field/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/field/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/field/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/field/topol -maxwarn 10 >grompp.out 2>grompp.err 298s gmx_mpi check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/field/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 298s mpirun -np 4 -wdir /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/field gmx_mpi mdrun -notunepme >mdrun.out 2>&1 298s gmx_mpi check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/field/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 298s gmx_mpi check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/field/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 298s PASSED but check mdp file differences 298s Testing nacl . . . gmx_mpi grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nacl/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nacl/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nacl/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nacl/topol -maxwarn 10 >grompp.out 2>grompp.err 298s gmx_mpi check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nacl/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 298s mpirun -np 4 -wdir /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nacl gmx_mpi mdrun -notunepme >mdrun.out 2>&1 299s gmx_mpi check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nacl/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 299s gmx_mpi check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nacl/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 299s PASSED but check mdp file differences 299s Testing nbnxn-energy-groups . . . gmx_mpi grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-energy-groups/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-energy-groups/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-energy-groups/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-energy-groups/topol -maxwarn 10 >grompp.out 2>grompp.err 299s gmx_mpi check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-energy-groups/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 299s mpirun -np 4 -wdir /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-energy-groups gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1 300s gmx_mpi check -e /tmp/autopkgtest.ZJGtTy/build.XAj/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 300s gmx_mpi check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-energy-groups/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 300s PASSED but check mdp file differences 300s Testing nbnxn-free-energy . . . gmx_mpi grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-free-energy/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-free-energy/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-free-energy/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-free-energy/topol -maxwarn 10 >grompp.out 2>grompp.err 300s gmx_mpi check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-free-energy/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 300s mpirun -np 4 -wdir /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-free-energy gmx_mpi mdrun -notunepme >mdrun.out 2>&1 300s gmx_mpi check -e /tmp/autopkgtest.ZJGtTy/build.XAj/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 300s gmx_mpi check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-free-energy/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 300s PASSED but check mdp file differences 300s Testing nbnxn-free-energy-vv . . . gmx_mpi grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-free-energy-vv/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-free-energy-vv/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-free-energy-vv/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-free-energy-vv/topol -maxwarn 10 >grompp.out 2>grompp.err 300s gmx_mpi check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-free-energy-vv/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 300s mpirun -np 4 -wdir /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-free-energy-vv gmx_mpi mdrun -notunepme >mdrun.out 2>&1 301s gmx_mpi check -e /tmp/autopkgtest.ZJGtTy/build.XAj/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 301s gmx_mpi check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-free-energy-vv/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 301s PASSED but check mdp file differences 301s Testing nbnxn-ljpme-geometric . . . gmx_mpi grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-ljpme-geometric/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-ljpme-geometric/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-ljpme-geometric/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-ljpme-geometric/topol -maxwarn 10 >grompp.out 2>grompp.err 301s gmx_mpi check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-ljpme-geometric/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 301s mpirun -np 4 -wdir /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-ljpme-geometric gmx_mpi mdrun -notunepme >mdrun.out 2>&1 302s gmx_mpi check -e /tmp/autopkgtest.ZJGtTy/build.XAj/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 302s gmx_mpi check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-ljpme-geometric/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 302s PASSED but check mdp file differences 302s Testing nbnxn-ljpme-LB . . . gmx_mpi grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-ljpme-LB/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-ljpme-LB/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-ljpme-LB/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-ljpme-LB/topol -maxwarn 10 >grompp.out 2>grompp.err 302s gmx_mpi check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-ljpme-LB/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 302s mpirun -np 4 -wdir /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-ljpme-LB gmx_mpi mdrun -notunepme >mdrun.out 2>&1 303s gmx_mpi check -e /tmp/autopkgtest.ZJGtTy/build.XAj/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 303s gmx_mpi check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-ljpme-LB/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 303s PASSED but check mdp file differences 303s Testing nbnxn-ljpme-LB-geometric . . . gmx_mpi grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/topol -maxwarn 10 >grompp.out 2>grompp.err 303s gmx_mpi check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 303s mpirun -np 4 -wdir /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-ljpme-LB-geometric gmx_mpi mdrun -notunepme >mdrun.out 2>&1 304s gmx_mpi check -e /tmp/autopkgtest.ZJGtTy/build.XAj/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 304s gmx_mpi check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 304s PASSED but check mdp file differences 304s Testing nbnxn-vdw-force-switch . . . gmx_mpi grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-vdw-force-switch/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-vdw-force-switch/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-vdw-force-switch/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-vdw-force-switch/topol -maxwarn 10 >grompp.out 2>grompp.err 304s gmx_mpi check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-vdw-force-switch/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 304s mpirun -np 4 -wdir /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-vdw-force-switch gmx_mpi mdrun -notunepme >mdrun.out 2>&1 305s gmx_mpi check -e /tmp/autopkgtest.ZJGtTy/build.XAj/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 305s gmx_mpi check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-vdw-force-switch/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 305s PASSED but check mdp file differences 305s Testing nbnxn-vdw-potential-switch . . . gmx_mpi grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-vdw-potential-switch/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-vdw-potential-switch/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-vdw-potential-switch/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-vdw-potential-switch/topol -maxwarn 10 >grompp.out 2>grompp.err 305s gmx_mpi check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-vdw-potential-switch/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 305s mpirun -np 4 -wdir /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-vdw-potential-switch gmx_mpi mdrun -notunepme >mdrun.out 2>&1 306s gmx_mpi check -e /tmp/autopkgtest.ZJGtTy/build.XAj/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 306s gmx_mpi check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-vdw-potential-switch/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 306s PASSED but check mdp file differences 306s Testing nbnxn-vdw-potential-switch-argon . . . gmx_mpi grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/topol -maxwarn 10 >grompp.out 2>grompp.err 306s gmx_mpi check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/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 306s mpirun -np 4 -wdir /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon gmx_mpi mdrun -notunepme >mdrun.out 2>&1 306s gmx_mpi check -e /tmp/autopkgtest.ZJGtTy/build.XAj/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 306s gmx_mpi check -f /tmp/autopkgtest.ZJGtTy/build.XAj/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 306s PASSED but check mdp file differences 306s Testing nbnxn_pme . . . gmx_mpi grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_pme/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_pme/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_pme/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_pme/topol -maxwarn 10 >grompp.out 2>grompp.err 306s gmx_mpi check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_pme/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 306s mpirun -np 4 -wdir /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_pme gmx_mpi mdrun -notunepme >mdrun.out 2>&1 307s gmx_mpi check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_pme/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 307s gmx_mpi check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_pme/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 307s PASSED but check mdp file differences 307s Testing nbnxn_pme_order5 . . . gmx_mpi grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_pme_order5/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_pme_order5/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_pme_order5/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_pme_order5/topol -maxwarn 10 >grompp.out 2>grompp.err 307s gmx_mpi check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_pme_order5/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 307s mpirun -np 4 -wdir /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_pme_order5 gmx_mpi mdrun -notunepme >mdrun.out 2>&1 308s gmx_mpi check -e /tmp/autopkgtest.ZJGtTy/build.XAj/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 308s gmx_mpi check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_pme_order5/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 308s PASSED but check mdp file differences 308s Testing nbnxn_pme_order6 . . . gmx_mpi grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_pme_order6/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_pme_order6/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_pme_order6/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_pme_order6/topol -maxwarn 10 >grompp.out 2>grompp.err 308s gmx_mpi check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_pme_order6/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 308s mpirun -np 4 -wdir /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_pme_order6 gmx_mpi mdrun -notunepme >mdrun.out 2>&1 309s gmx_mpi check -e /tmp/autopkgtest.ZJGtTy/build.XAj/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 309s gmx_mpi check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_pme_order6/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 309s PASSED but check mdp file differences 309s Testing nbnxn_rf . . . gmx_mpi grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_rf/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_rf/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_rf/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_rf/topol -maxwarn 10 >grompp.out 2>grompp.err 309s gmx_mpi check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_rf/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 309s mpirun -np 4 -wdir /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_rf gmx_mpi mdrun -notunepme >mdrun.out 2>&1 309s gmx_mpi check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_rf/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 309s gmx_mpi check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_rf/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 309s PASSED but check mdp file differences 309s Testing nbnxn_rzero . . . gmx_mpi grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_rzero/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_rzero/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_rzero/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_rzero/topol -maxwarn 10 >grompp.out 2>grompp.err 310s gmx_mpi check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_rzero/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 310s mpirun -np 4 -wdir /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_rzero gmx_mpi mdrun -notunepme >mdrun.out 2>&1 310s gmx_mpi check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_rzero/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 310s gmx_mpi check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_rzero/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 310s PASSED but check mdp file differences 310s Testing nbnxn_vsite . . . gmx_mpi grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_vsite/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_vsite/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_vsite/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_vsite/topol -maxwarn 10 >grompp.out 2>grompp.err 310s gmx_mpi check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_vsite/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 310s mpirun -np 4 -wdir /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_vsite gmx_mpi mdrun -notunepme >mdrun.out 2>&1 310s gmx_mpi check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_vsite/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 310s gmx_mpi check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nbnxn_vsite/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 311s PASSED but check mdp file differences 311s Testing nst_mismatch . . . gmx_mpi grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nst_mismatch/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nst_mismatch/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nst_mismatch/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nst_mismatch/topol -maxwarn 10 >grompp.out 2>grompp.err 311s gmx_mpi check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nst_mismatch/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 311s mpirun -np 4 -wdir /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nst_mismatch gmx_mpi mdrun -notunepme >mdrun.out 2>&1 311s gmx_mpi check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nst_mismatch/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 311s gmx_mpi check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/nst_mismatch/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 311s PASSED but check mdp file differences 311s Testing octahedron . . . gmx_mpi grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/octahedron/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/octahedron/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/octahedron/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/octahedron/topol -maxwarn 10 >grompp.out 2>grompp.err 311s gmx_mpi check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/octahedron/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 311s mpirun -np 4 -wdir /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/octahedron gmx_mpi mdrun -notunepme >mdrun.out 2>&1 313s gmx_mpi check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/octahedron/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 313s gmx_mpi check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/octahedron/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 313s PASSED but check mdp file differences 313s Testing orientation-restraints . . . gmx_mpi grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/orientation-restraints/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/orientation-restraints/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/orientation-restraints/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/orientation-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 313s gmx_mpi check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/orientation-restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 313s mpirun -np 1 -wdir /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/orientation-restraints gmx_mpi mdrun -notunepme >mdrun.out 2>&1 318s gmx_mpi check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/orientation-restraints/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 319s gmx_mpi check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/orientation-restraints/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 319s PASSED but check mdp file differences 319s Testing position-restraints . . . gmx_mpi grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/position-restraints/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/position-restraints/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/position-restraints/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/position-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 319s gmx_mpi check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/position-restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 319s mpirun -np 4 -wdir /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/position-restraints gmx_mpi mdrun -notunepme >mdrun.out 2>&1 319s gmx_mpi check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/position-restraints/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 319s gmx_mpi check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/position-restraints/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 320s PASSED but check mdp file differences 320s Testing pr-vrescale . . . gmx_mpi grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pr-vrescale/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pr-vrescale/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pr-vrescale/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pr-vrescale/topol -maxwarn 10 >grompp.out 2>grompp.err 320s gmx_mpi check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pr-vrescale/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 320s mpirun -np 4 -wdir /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pr-vrescale gmx_mpi mdrun -notunepme >mdrun.out 2>&1 320s gmx_mpi check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pr-vrescale/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 320s gmx_mpi check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pr-vrescale/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 320s PASSED but check mdp file differences 320s Testing pull_constraint . . . gmx_mpi grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_constraint/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_constraint/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_constraint/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_constraint/topol -maxwarn 10 -n /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_constraint/index >grompp.out 2>grompp.err 321s gmx_mpi check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_constraint/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 321s mpirun -np 4 -wdir /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_constraint gmx_mpi mdrun -notunepme >mdrun.out 2>&1 321s gmx_mpi check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_constraint/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 321s gmx_mpi check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_constraint/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 321s PASSED but check mdp file differences 321s Testing pull_cylinder . . . gmx_mpi grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_cylinder/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_cylinder/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_cylinder/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_cylinder/topol -maxwarn 10 -n /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_cylinder/index >grompp.out 2>grompp.err 321s gmx_mpi check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_cylinder/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 321s mpirun -np 4 -wdir /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_cylinder gmx_mpi mdrun -notunepme >mdrun.out 2>&1 322s gmx_mpi check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_cylinder/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 322s gmx_mpi check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_cylinder/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 322s PASSED but check mdp file differences 322s Testing pull_geometry_angle . . . gmx_mpi grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_geometry_angle/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_geometry_angle/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_geometry_angle/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_geometry_angle/topol -maxwarn 10 -n /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_geometry_angle/index >grompp.out 2>grompp.err 322s gmx_mpi check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_geometry_angle/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 322s mpirun -np 4 -wdir /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_geometry_angle gmx_mpi mdrun -notunepme >mdrun.out 2>&1 322s gmx_mpi check -e /tmp/autopkgtest.ZJGtTy/build.XAj/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 322s gmx_mpi check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_geometry_angle/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 323s PASSED but check mdp file differences 323s Testing pull_geometry_angle-axis . . . gmx_mpi grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_geometry_angle-axis/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_geometry_angle-axis/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_geometry_angle-axis/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_geometry_angle-axis/topol -maxwarn 10 -n /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_geometry_angle-axis/index >grompp.out 2>grompp.err 323s gmx_mpi check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_geometry_angle-axis/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 323s mpirun -np 4 -wdir /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_geometry_angle-axis gmx_mpi mdrun -notunepme >mdrun.out 2>&1 323s gmx_mpi check -e /tmp/autopkgtest.ZJGtTy/build.XAj/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 323s gmx_mpi check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_geometry_angle-axis/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 323s PASSED but check mdp file differences 323s Testing pull_geometry_dihedral . . . gmx_mpi grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_geometry_dihedral/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_geometry_dihedral/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_geometry_dihedral/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_geometry_dihedral/topol -maxwarn 10 -n /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_geometry_dihedral/index >grompp.out 2>grompp.err 323s gmx_mpi check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_geometry_dihedral/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 323s mpirun -np 4 -wdir /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_geometry_dihedral gmx_mpi mdrun -notunepme >mdrun.out 2>&1 324s gmx_mpi check -e /tmp/autopkgtest.ZJGtTy/build.XAj/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 324s gmx_mpi check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/pull_geometry_dihedral/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 324s PASSED but check mdp file differences 324s Testing reb . . . gmx_mpi grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/reb/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/reb/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/reb/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/reb/topol -maxwarn 10 >grompp.out 2>grompp.err 324s gmx_mpi check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/reb/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 324s mpirun -np 4 -wdir /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/reb gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1 324s gmx_mpi check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/reb/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 324s gmx_mpi check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/reb/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 324s PASSED but check mdp file differences 324s Testing sw . . . gmx_mpi grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/sw/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/sw/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/sw/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/sw/topol -maxwarn 10 >grompp.out 2>grompp.err 324s gmx_mpi check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/sw/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 325s mpirun -np 1 -wdir /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/sw gmx_mpi mdrun -notunepme >mdrun.out 2>&1 326s gmx_mpi check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/sw/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 326s gmx_mpi check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/sw/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 326s PASSED but check mdp file differences 326s Testing swap_x . . . gmx_mpi grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/swap_x/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/swap_x/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/swap_x/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/swap_x/topol -maxwarn 10 -n /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/swap_x/index >grompp.out 2>grompp.err 327s gmx_mpi check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/swap_x/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 327s mpirun -np 4 -wdir /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/swap_x gmx_mpi mdrun -notunepme >mdrun.out 2>&1 328s gmx_mpi check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/swap_x/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 328s gmx_mpi check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/swap_x/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 328s PASSED but check mdp file differences 328s Testing swap_y . . . gmx_mpi grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/swap_y/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/swap_y/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/swap_y/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/swap_y/topol -maxwarn 10 -n /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/swap_y/index >grompp.out 2>grompp.err 328s gmx_mpi check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/swap_y/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 328s mpirun -np 4 -wdir /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/swap_y gmx_mpi mdrun -notunepme >mdrun.out 2>&1 329s gmx_mpi check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/swap_y/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 329s gmx_mpi check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/swap_y/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 329s PASSED but check mdp file differences 329s Testing swap_z . . . gmx_mpi grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/swap_z/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/swap_z/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/swap_z/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/swap_z/topol -maxwarn 10 -n /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/swap_z/index >grompp.out 2>grompp.err 329s gmx_mpi check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/swap_z/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 329s mpirun -np 4 -wdir /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/swap_z gmx_mpi mdrun -notunepme >mdrun.out 2>&1 330s gmx_mpi check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/swap_z/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 330s gmx_mpi check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/swap_z/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 330s PASSED but check mdp file differences 330s Testing tip4p . . . gmx_mpi grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/tip4p/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/tip4p/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/tip4p/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/tip4p/topol -maxwarn 10 >grompp.out 2>grompp.err 331s gmx_mpi check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/tip4p/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 331s mpirun -np 4 -wdir /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/tip4p gmx_mpi mdrun -notunepme >mdrun.out 2>&1 331s gmx_mpi check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/tip4p/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 331s gmx_mpi check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/tip4p/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 331s PASSED but check mdp file differences 331s Testing tip4p_continue . . . gmx_mpi grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/tip4p_continue/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/tip4p_continue/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/tip4p_continue/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/tip4p_continue/topol -maxwarn 10 >grompp.out 2>grompp.err 331s gmx_mpi check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/tip4p_continue/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 331s mpirun -np 4 -wdir /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/tip4p_continue gmx_mpi mdrun -notunepme -cpi /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/tip4p_continue/continue -noappend >mdrun.out 2>&1 332s gmx_mpi check -e /tmp/autopkgtest.ZJGtTy/build.XAj/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 332s gmx_mpi check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/tip4p_continue/reference_s.trr -f2 traj.part0002.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 332s PASSED but check mdp file differences 332s Testing tip4pflex . . . gmx_mpi grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/tip4pflex/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/tip4pflex/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/tip4pflex/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/tip4pflex/topol -maxwarn 10 >grompp.out 2>grompp.err 332s gmx_mpi check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/tip4pflex/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 332s mpirun -np 4 -wdir /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/tip4pflex gmx_mpi mdrun -notunepme >mdrun.out 2>&1 333s gmx_mpi check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/tip4pflex/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 333s gmx_mpi check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/tip4pflex/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 333s PASSED but check mdp file differences 333s Testing urea . . . gmx_mpi grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/urea/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/urea/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/urea/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/urea/topol -maxwarn 10 >grompp.out 2>grompp.err 333s gmx_mpi check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/urea/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 333s mpirun -np 4 -wdir /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/urea gmx_mpi mdrun -notunepme >mdrun.out 2>&1 333s gmx_mpi check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/urea/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 333s gmx_mpi check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/urea/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 333s PASSED but check mdp file differences 333s Testing walls . . . gmx_mpi grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/walls/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/walls/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/walls/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/walls/topol -maxwarn 10 >grompp.out 2>grompp.err 334s gmx_mpi check -s1 /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/walls/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 334s mpirun -np 4 -wdir /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/walls gmx_mpi mdrun -notunepme >mdrun.out 2>&1 334s gmx_mpi check -e /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/walls/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 334s gmx_mpi check -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/complex/walls/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 334s PASSED but check mdp file differences 334s All 48 complex tests PASSED 334s All 0 extra tests PASSED 334s Testing linfix . . . 334s gmx_mpi grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/linfix/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/linfix/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/linfix/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/linfix/topol -maxwarn 2 >grompp.out 2>grompp.err 334s echo 0 | gmx_mpi make_edi -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/linfix/eigenvec.trr -outfrq 1 -linfix 1 -linstep 0.0013 -o sam.edi 1>make_edi.out 2>make_edi.err 334s mpirun -np 4 -wdir /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/linfix gmx_mpi mdrun -ei sam.edi -eo linfix.xvg >mdrun.out 2>&1 334s Comparing column #0 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 0 334s Comparing column #1 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 0.05 334s Comparing column #2 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 1e-06 334s Testing linacc . . . 334s gmx_mpi grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/linacc/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/linacc/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/linacc/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/linacc/topol -maxwarn 2 >grompp.out 2>grompp.err 334s echo 0 | gmx_mpi make_edi -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/linacc/eigenvec.trr -outfrq 2 -linacc 1 -accdir +1 -o sam.edi 1>make_edi.out 2>make_edi.err 334s mpirun -np 4 -wdir /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/linacc gmx_mpi mdrun -ei sam.edi -eo linacc.xvg >mdrun.out 2>&1 335s Comparing column #0 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0 335s Comparing column #1 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0.005 335s Comparing column #2 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0.001 335s Checking monotonicity for column 2 of file linacc.xvg ... values of column 2 are increasing monotonically. 335s Testing radfix . . . 335s gmx_mpi grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/radfix/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/radfix/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/radfix/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/radfix/topol -maxwarn 2 >grompp.out 2>grompp.err 335s echo 0 | gmx_mpi make_edi -f /tmp/autopkgtest.ZJGtTy/build.XAj/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 335s mpirun -np 4 -wdir /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/radfix gmx_mpi mdrun -ei sam.edi -eo radfix.xvg >mdrun.out 2>&1 335s Comparing column #0 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0 335s Comparing column #1 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0.05 335s Comparing column #4 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0 335s Checking radius for file radfix.xvg ... all values within tolerance of 1e-05 335s Testing radacc . . . 335s gmx_mpi grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/radacc/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/radacc/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/radacc/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/radacc/topol -maxwarn 2 >grompp.out 2>grompp.err 335s echo 0 | gmx_mpi make_edi -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/radacc/eigenvec.trr -outfrq 3 -radacc 1-2 -o sam.edi 1>make_edi.out 2>make_edi.err 335s mpirun -np 4 -wdir /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/radacc gmx_mpi mdrun -ei sam.edi -eo radacc.xvg >mdrun.out 2>&1 335s Comparing column #0 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/radacc/edsam_reference.xvg and radacc.xvg ... all within tolerance of 0 335s Comparing column #1 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/radacc/edsam_reference.xvg and radacc.xvg ... all within tolerance of 0.05 335s Checking radius for file radacc.xvg ... all values within tolerance of 1e-05 335s Checking monotonicity for column 4 of file radacc.xvg ... values of column 4 are increasing monotonically. 335s Testing radcon . . . 335s gmx_mpi grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/radcon/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/radcon/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/radcon/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/radcon/topol -maxwarn 2 >grompp.out 2>grompp.err 335s echo 0 0 | gmx_mpi make_edi -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/radcon/eigenvec.trr -outfrq 1 -radcon 1-2 -tar /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/radcon/target.pdb -o sam.edi 1>make_edi.out 2>make_edi.err 335s mpirun -np 4 -wdir /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/radcon gmx_mpi mdrun -ei sam.edi -eo radcon.xvg >mdrun.out 2>&1 336s Comparing column #0 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/radcon/edsam_reference.xvg and radcon.xvg ... all within tolerance of 0 336s Comparing column #1 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/radcon/edsam_reference.xvg and radcon.xvg ... all within tolerance of 0.05 336s Checking radius for file radcon.xvg ... all values within tolerance of 1e-05 336s Checking monotonicity for column 4 of file radcon.xvg ... values of column 4 are decreasing monotonically. 336s Testing flooding1 . . . 336s gmx_mpi grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding1/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding1/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding1/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding1/topol -maxwarn 2 >grompp.out 2>grompp.err 336s mpirun -np 4 -wdir /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding1 gmx_mpi mdrun -ei /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding1/sam.edi -eo flooding1.xvg >mdrun.out 2>&1 336s Comparing column #0 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 0 336s Comparing column #1 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 336s Comparing column #2 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 336s Comparing column #3 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 336s Comparing column #4 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 336s Comparing column #5 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 336s Comparing column #6 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 336s Comparing column #7 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 336s Testing flooding2 . . . 336s gmx_mpi grompp -f /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding2/grompp.mdp -c /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding2/conf -r /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding2/conf -p /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding2/topol -maxwarn 2 >grompp.out 2>grompp.err 337s mpirun -np 4 -wdir /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding2 gmx_mpi mdrun -ei /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding2/sam.edi -eo flooding2.xvg >mdrun.out 2>&1 339s Comparing column #0 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0 339s Comparing column #1 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.05 339s Comparing column #2 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.025 339s Comparing column #3 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 250 339s Comparing column #4 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 1000 339s Comparing column #5 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.025 339s Comparing column #6 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 250 339s Comparing column #7 of .xvg files /tmp/autopkgtest.ZJGtTy/build.XAj/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 1000 339s All 7 essential dynamics tests PASSED 339s Cleaning acetonitrilRF 339s Cleaning aminoacids 339s Cleaning argon 339s Cleaning awh_multibias 339s Cleaning awh_multidim 339s Cleaning butane 339s Cleaning cbt 339s Cleaning dd121 339s Cleaning dec+water 339s Cleaning distance_restraints 339s Cleaning ethyleenglycol 339s Cleaning field 339s Cleaning nacl 339s Cleaning nbnxn-energy-groups 339s Cleaning nbnxn-free-energy 339s Cleaning nbnxn-free-energy-vv 339s Cleaning nbnxn-ljpme-geometric 339s Cleaning nbnxn-ljpme-LB 339s Cleaning nbnxn-ljpme-LB-geometric 339s Cleaning nbnxn-vdw-force-switch 339s Cleaning nbnxn-vdw-potential-switch 339s Cleaning nbnxn-vdw-potential-switch-argon 339s Cleaning nbnxn_pme 339s Cleaning nbnxn_pme_order5 339s Cleaning nbnxn_pme_order6 339s Cleaning nbnxn_rf 339s Cleaning nbnxn_rzero 339s Cleaning nbnxn_vsite 339s Cleaning nst_mismatch 339s Cleaning octahedron 339s Cleaning orientation-restraints 339s Cleaning position-restraints 339s Cleaning pr-vrescale 339s Cleaning pull_constraint 339s Cleaning pull_cylinder 339s Cleaning pull_geometry_angle 339s Cleaning pull_geometry_angle-axis 339s Cleaning pull_geometry_dihedral 339s Cleaning reb 339s Cleaning sw 339s Cleaning swap_x 339s Cleaning swap_y 339s Cleaning swap_z 339s Cleaning tip4p 339s Cleaning tip4p_continue 339s Cleaning tip4pflex 339s Cleaning urea 339s Cleaning walls 339s Cleaning flooding1 339s Cleaning flooding2 339s Cleaning linacc 339s Cleaning linfix 339s Cleaning radacc 339s Cleaning radcon 339s Cleaning radfix 340s autopkgtest [22:21:19]: test gromacs-regressiontests: -----------------------] 340s gromacs-regressiontests PASS 340s autopkgtest [22:21:19]: test gromacs-regressiontests: - - - - - - - - - - results - - - - - - - - - - 341s autopkgtest [22:21:20]: @@@@@@@@@@@@@@@@@@@@ summary 341s gromacs-regressiontests PASS 346s nova [W] Using flock in prodstack6-ppc64el 346s Creating nova instance adt-plucky-ppc64el-gromacs-20250215-221539-juju-7f2275-prod-proposed-migration-environment-20-e2afdfda-bb35-48e5-92df-c320c25b347e from image adt/ubuntu-plucky-ppc64el-server-20250215.img (UUID 6b0563e5-c35c-4c0f-8fb5-aae43570455f)... 346s nova [W] Timed out waiting for 4808af47-a3c1-4284-9e2b-f761bb0b595b to get deleted.