0s autopkgtest [01:14:09]: starting date and time: 2025-02-16 01:14:09+0000 0s autopkgtest [01:14:09]: git checkout: 325255d2 Merge branch 'pin-any-arch' into 'ubuntu/production' 0s autopkgtest [01:14:09]: host juju-7f2275-prod-proposed-migration-environment-20; command line: /home/ubuntu/autopkgtest/runner/autopkgtest --output-dir /tmp/autopkgtest-work.5j3y5zse/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 --security-groups autopkgtest-juju-7f2275-prod-proposed-migration-environment-20@bos03-arm64-42.secgroup --name adt-plucky-arm64-gromacs-20250215-232635-juju-7f2275-prod-proposed-migration-environment-20-6399e9a1-630c-40ed-9e34-2fe4cb2bd35f --image adt/ubuntu-plucky-arm64-server --keyname testbed-juju-7f2275-prod-proposed-migration-environment-20 --net-id=net_prod-proposed-migration -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/ 150s autopkgtest [01:16:39]: testbed dpkg architecture: arm64 150s autopkgtest [01:16:39]: testbed apt version: 2.9.28 150s autopkgtest [01:16:39]: @@@@@@@@@@@@@@@@@@@@ test bed setup 150s autopkgtest [01:16:39]: testbed release detected to be: None 151s autopkgtest [01:16:40]: updating testbed package index (apt update) 151s Get:1 http://ftpmaster.internal/ubuntu plucky-proposed InRelease [110 kB] 152s Hit:2 http://ftpmaster.internal/ubuntu plucky InRelease 152s Hit:3 http://ftpmaster.internal/ubuntu plucky-updates InRelease 152s Hit:4 http://ftpmaster.internal/ubuntu plucky-security InRelease 152s Get:5 http://ftpmaster.internal/ubuntu plucky-proposed/main Sources [73.1 kB] 152s Get:6 http://ftpmaster.internal/ubuntu plucky-proposed/multiverse Sources [13.1 kB] 152s Get:7 http://ftpmaster.internal/ubuntu plucky-proposed/restricted Sources [3120 B] 152s Get:8 http://ftpmaster.internal/ubuntu plucky-proposed/universe Sources [823 kB] 152s Get:9 http://ftpmaster.internal/ubuntu plucky-proposed/main arm64 Packages [163 kB] 152s Get:10 http://ftpmaster.internal/ubuntu plucky-proposed/restricted arm64 Packages [7960 B] 152s Get:11 http://ftpmaster.internal/ubuntu plucky-proposed/universe arm64 Packages [937 kB] 152s Get:12 http://ftpmaster.internal/ubuntu plucky-proposed/multiverse arm64 Packages [10.0 kB] 152s Fetched 2140 kB in 1s (2064 kB/s) 153s Reading package lists... 154s Reading package lists... 154s Building dependency tree... 154s Reading state information... 155s Calculating upgrade... 155s The following packages will be upgraded: 155s dash libtasn1-6 libxdmcp6 155s 3 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. 155s Need to get 151 kB of archives. 155s After this operation, 17.4 kB of additional disk space will be used. 155s Get:1 http://ftpmaster.internal/ubuntu plucky/main arm64 dash arm64 0.5.12-12ubuntu1 [96.1 kB] 156s Get:2 http://ftpmaster.internal/ubuntu plucky/main arm64 libtasn1-6 arm64 4.20.0-2 [43.9 kB] 156s Get:3 http://ftpmaster.internal/ubuntu plucky/main arm64 libxdmcp6 arm64 1:1.1.5-1 [10.7 kB] 156s Preconfiguring packages ... 156s Fetched 151 kB in 0s (348 kB/s) 156s (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 ... 116609 files and directories currently installed.) 156s Preparing to unpack .../dash_0.5.12-12ubuntu1_arm64.deb ... 156s Unpacking dash (0.5.12-12ubuntu1) over (0.5.12-9ubuntu1) ... 157s Setting up dash (0.5.12-12ubuntu1) ... 157s (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 ... 116609 files and directories currently installed.) 157s Preparing to unpack .../libtasn1-6_4.20.0-2_arm64.deb ... 157s Unpacking libtasn1-6:arm64 (4.20.0-2) over (4.19.0-3build1) ... 157s Preparing to unpack .../libxdmcp6_1%3a1.1.5-1_arm64.deb ... 157s Unpacking libxdmcp6:arm64 (1:1.1.5-1) over (1:1.1.3-0ubuntu6) ... 157s Setting up libxdmcp6:arm64 (1:1.1.5-1) ... 157s Setting up libtasn1-6:arm64 (4.20.0-2) ... 157s Processing triggers for libc-bin (2.40-4ubuntu1) ... 157s Processing triggers for man-db (2.13.0-1) ... 158s Processing triggers for debianutils (5.21) ... 158s Reading package lists... 158s Building dependency tree... 158s Reading state information... 159s 0 upgraded, 0 newly installed, 0 to remove and 6 not upgraded. 159s autopkgtest [01:16:48]: upgrading testbed (apt dist-upgrade and autopurge) 159s Reading package lists... 159s Building dependency tree... 159s Reading state information... 160s Calculating upgrade...Starting pkgProblemResolver with broken count: 0 160s Starting 2 pkgProblemResolver with broken count: 0 160s Done 161s Entering ResolveByKeep 161s 161s The following packages will be upgraded: 161s iproute2 libc-bin libc-dev-bin libc6 libc6-dev locales 162s 6 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. 162s Need to get 10.7 MB of archives. 162s After this operation, 358 kB of additional disk space will be used. 162s Get:1 http://ftpmaster.internal/ubuntu plucky-proposed/main arm64 libc-dev-bin arm64 2.41-1ubuntu1 [24.0 kB] 162s Get:2 http://ftpmaster.internal/ubuntu plucky-proposed/main arm64 libc6-dev arm64 2.41-1ubuntu1 [1750 kB] 162s Get:3 http://ftpmaster.internal/ubuntu plucky-proposed/main arm64 locales all 2.41-1ubuntu1 [4246 kB] 162s Get:4 http://ftpmaster.internal/ubuntu plucky-proposed/main arm64 libc6 arm64 2.41-1ubuntu1 [2910 kB] 162s Get:5 http://ftpmaster.internal/ubuntu plucky-proposed/main arm64 libc-bin arm64 2.41-1ubuntu1 [600 kB] 162s Get:6 http://ftpmaster.internal/ubuntu plucky-proposed/main arm64 iproute2 arm64 6.13.0-1ubuntu1 [1158 kB] 163s Preconfiguring packages ... 163s Fetched 10.7 MB in 1s (10.5 MB/s) 163s (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 ... 116609 files and directories currently installed.) 163s Preparing to unpack .../libc-dev-bin_2.41-1ubuntu1_arm64.deb ... 163s Unpacking libc-dev-bin (2.41-1ubuntu1) over (2.40-4ubuntu1) ... 163s Preparing to unpack .../libc6-dev_2.41-1ubuntu1_arm64.deb ... 163s Unpacking libc6-dev:arm64 (2.41-1ubuntu1) over (2.40-4ubuntu1) ... 163s Preparing to unpack .../locales_2.41-1ubuntu1_all.deb ... 163s Unpacking locales (2.41-1ubuntu1) over (2.40-4ubuntu1) ... 163s Preparing to unpack .../libc6_2.41-1ubuntu1_arm64.deb ... 164s Checking for services that may need to be restarted... 164s Checking init scripts... 164s Checking for services that may need to be restarted... 164s Checking init scripts... 164s Stopping some services possibly affected by the upgrade (will be restarted later): 164s cron: stopping...done. 164s 164s Unpacking libc6:arm64 (2.41-1ubuntu1) over (2.40-4ubuntu1) ... 164s Setting up libc6:arm64 (2.41-1ubuntu1) ... 164s Checking for services that may need to be restarted... 164s Checking init scripts... 164s Restarting services possibly affected by the upgrade: 164s cron: restarting...done. 164s 164s Services restarted successfully. 164s (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 ... 116610 files and directories currently installed.) 164s Preparing to unpack .../libc-bin_2.41-1ubuntu1_arm64.deb ... 164s Unpacking libc-bin (2.41-1ubuntu1) over (2.40-4ubuntu1) ... 164s Setting up libc-bin (2.41-1ubuntu1) ... 165s (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 ... 116610 files and directories currently installed.) 165s Preparing to unpack .../iproute2_6.13.0-1ubuntu1_arm64.deb ... 165s Unpacking iproute2 (6.13.0-1ubuntu1) over (6.10.0-2ubuntu1) ... 165s Setting up iproute2 (6.13.0-1ubuntu1) ... 165s Setting up locales (2.41-1ubuntu1) ... 165s Installing new version of config file /etc/locale.alias ... 166s Generating locales (this might take a while)... 168s en_US.UTF-8... done 168s Generation complete. 168s Setting up libc-dev-bin (2.41-1ubuntu1) ... 168s Setting up libc6-dev:arm64 (2.41-1ubuntu1) ... 168s Processing triggers for man-db (2.13.0-1) ... 169s Processing triggers for systemd (257.2-3ubuntu1) ... 170s Reading package lists... 170s Building dependency tree... 170s Reading state information... 171s Starting pkgProblemResolver with broken count: 0 171s Starting 2 pkgProblemResolver with broken count: 0 171s Done 171s 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. 174s autopkgtest [01:17:03]: testbed running kernel: Linux 6.12.0-15-generic #15-Ubuntu SMP PREEMPT_DYNAMIC Tue Feb 4 15:49:33 UTC 2025 175s autopkgtest [01:17:04]: @@@@@@@@@@@@@@@@@@@@ apt-source gromacs 184s Get:1 http://ftpmaster.internal/ubuntu plucky/universe gromacs 2025.0-1 (dsc) [3275 B] 184s Get:2 http://ftpmaster.internal/ubuntu plucky/universe gromacs 2025.0-1 (tar) [32.7 MB] 184s Get:3 http://ftpmaster.internal/ubuntu plucky/universe gromacs 2025.0-1 (tar) [44.4 MB] 184s Get:4 http://ftpmaster.internal/ubuntu plucky/universe gromacs 2025.0-1 (diff) [37.0 kB] 184s gpgv: Signature made Thu Feb 13 03:57:40 2025 UTC 184s gpgv: using RSA key 843E5FA61E6063389876D2E5EE4AFD69EC65108F 184s gpgv: issuer "nbreen@debian.org" 184s gpgv: Can't check signature: No public key 184s dpkg-source: warning: cannot verify inline signature for ./gromacs_2025.0-1.dsc: no acceptable signature found 186s autopkgtest [01:17:15]: testing package gromacs version 2025.0-1 187s autopkgtest [01:17:16]: build not needed 197s autopkgtest [01:17:26]: test gromacs-regressiontests: preparing testbed 197s Reading package lists... 198s Building dependency tree... 198s Reading state information... 198s Starting pkgProblemResolver with broken count: 0 198s Starting 2 pkgProblemResolver with broken count: 0 198s Done 199s The following NEW packages will be installed: 199s build-essential cpp cpp-14 cpp-14-aarch64-linux-gnu cpp-aarch64-linux-gnu 199s fonts-mathjax g++ g++-14 g++-14-aarch64-linux-gnu g++-aarch64-linux-gnu gcc 199s gcc-14 gcc-14-aarch64-linux-gnu gcc-aarch64-linux-gnu gromacs gromacs-data 199s libamd-comgr2 libamdhip64-5 libasan8 libblas3 libcc1-0 199s libevent-pthreads-2.1-7t64 libfabric1 libfftw3-bin libfftw3-dev 199s libfftw3-double3 libfftw3-long3 libfftw3-single3 libgcc-14-dev libgfortran5 199s libgomp1 libgromacs-dev libgromacs10 libhsa-runtime64-1 libhsakmt1 199s libhwasan0 libhwloc-plugins libhwloc15 libibmad5 libibumad3 libisl23 libitm1 199s libjs-mathjax liblapack3 libllvm17t64 liblsan0 libmpc3 libmunge2 199s libmuparser2v5 libnblib-gmx-dev libnblib-gmx0 libopenmpi40 libpciaccess0 199s libpmix2t64 librdmacm1t64 libstdc++-14-dev libtsan2 libubsan1 libucx0 199s libxnvctrl0 mpi-default-bin ocl-icd-libopencl1 openmpi-bin openmpi-common 199s 0 upgraded, 64 newly installed, 0 to remove and 0 not upgraded. 199s Need to get 207 MB of archives. 199s After this operation, 923 MB of additional disk space will be used. 199s Get:1 http://ftpmaster.internal/ubuntu plucky/main arm64 libisl23 arm64 0.27-1 [676 kB] 200s Get:2 http://ftpmaster.internal/ubuntu plucky/main arm64 libmpc3 arm64 1.3.1-1build2 [56.8 kB] 200s Get:3 http://ftpmaster.internal/ubuntu plucky/main arm64 cpp-14-aarch64-linux-gnu arm64 14.2.0-17ubuntu1 [10.6 MB] 200s Get:4 http://ftpmaster.internal/ubuntu plucky/main arm64 cpp-14 arm64 14.2.0-17ubuntu1 [1032 B] 200s Get:5 http://ftpmaster.internal/ubuntu plucky/main arm64 cpp-aarch64-linux-gnu arm64 4:14.2.0-1ubuntu1 [5558 B] 200s Get:6 http://ftpmaster.internal/ubuntu plucky/main arm64 cpp arm64 4:14.2.0-1ubuntu1 [22.4 kB] 200s Get:7 http://ftpmaster.internal/ubuntu plucky/main arm64 libcc1-0 arm64 14.2.0-17ubuntu1 [49.6 kB] 200s Get:8 http://ftpmaster.internal/ubuntu plucky/main arm64 libgomp1 arm64 14.2.0-17ubuntu1 [145 kB] 200s Get:9 http://ftpmaster.internal/ubuntu plucky/main arm64 libitm1 arm64 14.2.0-17ubuntu1 [27.8 kB] 200s Get:10 http://ftpmaster.internal/ubuntu plucky/main arm64 libasan8 arm64 14.2.0-17ubuntu1 [2892 kB] 200s Get:11 http://ftpmaster.internal/ubuntu plucky/main arm64 liblsan0 arm64 14.2.0-17ubuntu1 [1283 kB] 200s Get:12 http://ftpmaster.internal/ubuntu plucky/main arm64 libtsan2 arm64 14.2.0-17ubuntu1 [2686 kB] 200s Get:13 http://ftpmaster.internal/ubuntu plucky/main arm64 libubsan1 arm64 14.2.0-17ubuntu1 [1152 kB] 200s Get:14 http://ftpmaster.internal/ubuntu plucky/main arm64 libhwasan0 arm64 14.2.0-17ubuntu1 [1599 kB] 200s Get:15 http://ftpmaster.internal/ubuntu plucky/main arm64 libgcc-14-dev arm64 14.2.0-17ubuntu1 [2593 kB] 201s Get:16 http://ftpmaster.internal/ubuntu plucky/main arm64 gcc-14-aarch64-linux-gnu arm64 14.2.0-17ubuntu1 [20.9 MB] 202s Get:17 http://ftpmaster.internal/ubuntu plucky/main arm64 gcc-14 arm64 14.2.0-17ubuntu1 [526 kB] 202s Get:18 http://ftpmaster.internal/ubuntu plucky/main arm64 gcc-aarch64-linux-gnu arm64 4:14.2.0-1ubuntu1 [1200 B] 202s Get:19 http://ftpmaster.internal/ubuntu plucky/main arm64 gcc arm64 4:14.2.0-1ubuntu1 [4998 B] 202s Get:20 http://ftpmaster.internal/ubuntu plucky/main arm64 libstdc++-14-dev arm64 14.2.0-17ubuntu1 [2499 kB] 202s Get:21 http://ftpmaster.internal/ubuntu plucky/main arm64 g++-14-aarch64-linux-gnu arm64 14.2.0-17ubuntu1 [12.1 MB] 203s Get:22 http://ftpmaster.internal/ubuntu plucky/main arm64 g++-14 arm64 14.2.0-17ubuntu1 [21.8 kB] 203s Get:23 http://ftpmaster.internal/ubuntu plucky/main arm64 g++-aarch64-linux-gnu arm64 4:14.2.0-1ubuntu1 [956 B] 203s Get:24 http://ftpmaster.internal/ubuntu plucky/main arm64 g++ arm64 4:14.2.0-1ubuntu1 [1080 B] 203s Get:25 http://ftpmaster.internal/ubuntu plucky/main arm64 build-essential arm64 12.10ubuntu1 [4932 B] 203s Get:26 http://ftpmaster.internal/ubuntu plucky/main arm64 fonts-mathjax all 2.7.9+dfsg-1 [2208 kB] 203s Get:27 http://ftpmaster.internal/ubuntu plucky/universe arm64 libllvm17t64 arm64 1:17.0.6-20 [24.9 MB] 204s Get:28 http://ftpmaster.internal/ubuntu plucky/universe arm64 libamd-comgr2 arm64 6.0+git20231212.4510c28+dfsg-3build2 [14.1 MB] 205s Get:29 http://ftpmaster.internal/ubuntu plucky/universe arm64 libhsakmt1 arm64 5.7.0-1build1 [63.6 kB] 205s Get:30 http://ftpmaster.internal/ubuntu plucky/universe arm64 libhsa-runtime64-1 arm64 5.7.1-2build1 [286 kB] 205s Get:31 http://ftpmaster.internal/ubuntu plucky/universe arm64 libamdhip64-5 arm64 5.7.1-5 [9704 kB] 205s Get:32 http://ftpmaster.internal/ubuntu plucky/main arm64 libblas3 arm64 3.12.1-2 [161 kB] 205s Get:33 http://ftpmaster.internal/ubuntu plucky/main arm64 libevent-pthreads-2.1-7t64 arm64 2.1.12-stable-10 [7922 B] 205s Get:34 http://ftpmaster.internal/ubuntu plucky/main arm64 librdmacm1t64 arm64 55.0-1ubuntu1 [71.5 kB] 205s Get:35 http://ftpmaster.internal/ubuntu plucky/universe arm64 libfabric1 arm64 1.17.0-3ubuntu1 [542 kB] 205s Get:36 http://ftpmaster.internal/ubuntu plucky/main arm64 libfftw3-double3 arm64 3.3.10-2fakesync1build1 [392 kB] 205s Get:37 http://ftpmaster.internal/ubuntu plucky/main arm64 libfftw3-long3 arm64 3.3.10-2fakesync1build1 [653 kB] 205s Get:38 http://ftpmaster.internal/ubuntu plucky/main arm64 libfftw3-single3 arm64 3.3.10-2fakesync1build1 [604 kB] 205s Get:39 http://ftpmaster.internal/ubuntu plucky/main arm64 libfftw3-bin arm64 3.3.10-2fakesync1build1 [34.1 kB] 205s Get:40 http://ftpmaster.internal/ubuntu plucky/main arm64 libfftw3-dev arm64 3.3.10-2fakesync1build1 [1523 kB] 205s Get:41 http://ftpmaster.internal/ubuntu plucky/main arm64 libgfortran5 arm64 14.2.0-17ubuntu1 [437 kB] 205s Get:42 http://ftpmaster.internal/ubuntu plucky/universe arm64 libhwloc15 arm64 2.11.2-1build1 [162 kB] 205s Get:43 http://ftpmaster.internal/ubuntu plucky/main arm64 liblapack3 arm64 3.12.1-2 [2307 kB] 205s Get:44 http://ftpmaster.internal/ubuntu plucky/universe arm64 libmuparser2v5 arm64 2.3.4-1 [125 kB] 205s Get:45 http://ftpmaster.internal/ubuntu plucky/universe arm64 libmunge2 arm64 0.5.16-1 [15.2 kB] 205s Get:46 http://ftpmaster.internal/ubuntu plucky/main arm64 libpciaccess0 arm64 0.17-3build1 [18.9 kB] 205s Get:47 http://ftpmaster.internal/ubuntu plucky/main arm64 libxnvctrl0 arm64 510.47.03-0ubuntu4 [12.4 kB] 205s Get:48 http://ftpmaster.internal/ubuntu plucky/universe arm64 ocl-icd-libopencl1 arm64 2.3.2-1build1 [37.6 kB] 205s Get:49 http://ftpmaster.internal/ubuntu plucky/universe arm64 libhwloc-plugins arm64 2.11.2-1build1 [15.8 kB] 205s Get:50 http://ftpmaster.internal/ubuntu plucky/universe arm64 libpmix2t64 arm64 5.0.6-3 [666 kB] 206s Get:51 http://ftpmaster.internal/ubuntu plucky/main arm64 libibumad3 arm64 55.0-1ubuntu1 [29.8 kB] 206s Get:52 http://ftpmaster.internal/ubuntu plucky/main arm64 libibmad5 arm64 55.0-1ubuntu1 [43.3 kB] 206s Get:53 http://ftpmaster.internal/ubuntu plucky/universe arm64 libucx0 arm64 1.17.0+ds-3build1 [1093 kB] 206s Get:54 http://ftpmaster.internal/ubuntu plucky/universe arm64 libopenmpi40 arm64 5.0.6-4 [2416 kB] 206s Get:55 http://ftpmaster.internal/ubuntu plucky/universe arm64 libgromacs10 arm64 2025.0-1 [34.3 MB] 207s Get:56 http://ftpmaster.internal/ubuntu plucky/universe arm64 libnblib-gmx0 arm64 2025.0-1 [320 kB] 207s Get:57 http://ftpmaster.internal/ubuntu plucky/universe arm64 libnblib-gmx-dev arm64 2025.0-1 [26.2 kB] 207s Get:58 http://ftpmaster.internal/ubuntu plucky/universe arm64 openmpi-common all 5.0.6-4 [97.7 kB] 207s Get:59 http://ftpmaster.internal/ubuntu plucky/universe arm64 openmpi-bin arm64 5.0.6-4 [194 kB] 207s Get:60 http://ftpmaster.internal/ubuntu plucky/main arm64 libjs-mathjax all 2.7.9+dfsg-1 [5665 kB] 207s Get:61 http://ftpmaster.internal/ubuntu plucky/universe arm64 gromacs-data all 2025.0-1 [43.8 MB] 208s Get:62 http://ftpmaster.internal/ubuntu plucky/universe arm64 gromacs arm64 2025.0-1 [61.1 kB] 208s Get:63 http://ftpmaster.internal/ubuntu plucky/universe arm64 libgromacs-dev arm64 2025.0-1 [170 kB] 208s Get:64 http://ftpmaster.internal/ubuntu plucky/universe arm64 mpi-default-bin arm64 1.18 [2510 B] 208s Fetched 207 MB in 9s (23.5 MB/s) 208s Selecting previously unselected package libisl23:arm64. 208s (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 ... 116611 files and directories currently installed.) 208s Preparing to unpack .../00-libisl23_0.27-1_arm64.deb ... 208s Unpacking libisl23:arm64 (0.27-1) ... 208s Selecting previously unselected package libmpc3:arm64. 208s Preparing to unpack .../01-libmpc3_1.3.1-1build2_arm64.deb ... 208s Unpacking libmpc3:arm64 (1.3.1-1build2) ... 209s Selecting previously unselected package cpp-14-aarch64-linux-gnu. 209s Preparing to unpack .../02-cpp-14-aarch64-linux-gnu_14.2.0-17ubuntu1_arm64.deb ... 209s Unpacking cpp-14-aarch64-linux-gnu (14.2.0-17ubuntu1) ... 209s Selecting previously unselected package cpp-14. 209s Preparing to unpack .../03-cpp-14_14.2.0-17ubuntu1_arm64.deb ... 209s Unpacking cpp-14 (14.2.0-17ubuntu1) ... 209s Selecting previously unselected package cpp-aarch64-linux-gnu. 209s Preparing to unpack .../04-cpp-aarch64-linux-gnu_4%3a14.2.0-1ubuntu1_arm64.deb ... 209s Unpacking cpp-aarch64-linux-gnu (4:14.2.0-1ubuntu1) ... 209s Selecting previously unselected package cpp. 209s Preparing to unpack .../05-cpp_4%3a14.2.0-1ubuntu1_arm64.deb ... 209s Unpacking cpp (4:14.2.0-1ubuntu1) ... 209s Selecting previously unselected package libcc1-0:arm64. 209s Preparing to unpack .../06-libcc1-0_14.2.0-17ubuntu1_arm64.deb ... 209s Unpacking libcc1-0:arm64 (14.2.0-17ubuntu1) ... 209s Selecting previously unselected package libgomp1:arm64. 209s Preparing to unpack .../07-libgomp1_14.2.0-17ubuntu1_arm64.deb ... 209s Unpacking libgomp1:arm64 (14.2.0-17ubuntu1) ... 209s Selecting previously unselected package libitm1:arm64. 209s Preparing to unpack .../08-libitm1_14.2.0-17ubuntu1_arm64.deb ... 209s Unpacking libitm1:arm64 (14.2.0-17ubuntu1) ... 209s Selecting previously unselected package libasan8:arm64. 209s Preparing to unpack .../09-libasan8_14.2.0-17ubuntu1_arm64.deb ... 209s Unpacking libasan8:arm64 (14.2.0-17ubuntu1) ... 209s Selecting previously unselected package liblsan0:arm64. 209s Preparing to unpack .../10-liblsan0_14.2.0-17ubuntu1_arm64.deb ... 209s Unpacking liblsan0:arm64 (14.2.0-17ubuntu1) ... 209s Selecting previously unselected package libtsan2:arm64. 209s Preparing to unpack .../11-libtsan2_14.2.0-17ubuntu1_arm64.deb ... 209s Unpacking libtsan2:arm64 (14.2.0-17ubuntu1) ... 209s Selecting previously unselected package libubsan1:arm64. 209s Preparing to unpack .../12-libubsan1_14.2.0-17ubuntu1_arm64.deb ... 209s Unpacking libubsan1:arm64 (14.2.0-17ubuntu1) ... 210s Selecting previously unselected package libhwasan0:arm64. 210s Preparing to unpack .../13-libhwasan0_14.2.0-17ubuntu1_arm64.deb ... 210s Unpacking libhwasan0:arm64 (14.2.0-17ubuntu1) ... 210s Selecting previously unselected package libgcc-14-dev:arm64. 210s Preparing to unpack .../14-libgcc-14-dev_14.2.0-17ubuntu1_arm64.deb ... 210s Unpacking libgcc-14-dev:arm64 (14.2.0-17ubuntu1) ... 210s Selecting previously unselected package gcc-14-aarch64-linux-gnu. 210s Preparing to unpack .../15-gcc-14-aarch64-linux-gnu_14.2.0-17ubuntu1_arm64.deb ... 210s Unpacking gcc-14-aarch64-linux-gnu (14.2.0-17ubuntu1) ... 210s Selecting previously unselected package gcc-14. 210s Preparing to unpack .../16-gcc-14_14.2.0-17ubuntu1_arm64.deb ... 210s Unpacking gcc-14 (14.2.0-17ubuntu1) ... 210s Selecting previously unselected package gcc-aarch64-linux-gnu. 210s Preparing to unpack .../17-gcc-aarch64-linux-gnu_4%3a14.2.0-1ubuntu1_arm64.deb ... 210s Unpacking gcc-aarch64-linux-gnu (4:14.2.0-1ubuntu1) ... 210s Selecting previously unselected package gcc. 210s Preparing to unpack .../18-gcc_4%3a14.2.0-1ubuntu1_arm64.deb ... 210s Unpacking gcc (4:14.2.0-1ubuntu1) ... 210s Selecting previously unselected package libstdc++-14-dev:arm64. 210s Preparing to unpack .../19-libstdc++-14-dev_14.2.0-17ubuntu1_arm64.deb ... 210s Unpacking libstdc++-14-dev:arm64 (14.2.0-17ubuntu1) ... 211s Selecting previously unselected package g++-14-aarch64-linux-gnu. 211s Preparing to unpack .../20-g++-14-aarch64-linux-gnu_14.2.0-17ubuntu1_arm64.deb ... 211s Unpacking g++-14-aarch64-linux-gnu (14.2.0-17ubuntu1) ... 211s Selecting previously unselected package g++-14. 211s Preparing to unpack .../21-g++-14_14.2.0-17ubuntu1_arm64.deb ... 211s Unpacking g++-14 (14.2.0-17ubuntu1) ... 211s Selecting previously unselected package g++-aarch64-linux-gnu. 211s Preparing to unpack .../22-g++-aarch64-linux-gnu_4%3a14.2.0-1ubuntu1_arm64.deb ... 211s Unpacking g++-aarch64-linux-gnu (4:14.2.0-1ubuntu1) ... 211s Selecting previously unselected package g++. 211s Preparing to unpack .../23-g++_4%3a14.2.0-1ubuntu1_arm64.deb ... 211s Unpacking g++ (4:14.2.0-1ubuntu1) ... 211s Selecting previously unselected package build-essential. 211s Preparing to unpack .../24-build-essential_12.10ubuntu1_arm64.deb ... 211s Unpacking build-essential (12.10ubuntu1) ... 211s Selecting previously unselected package fonts-mathjax. 211s Preparing to unpack .../25-fonts-mathjax_2.7.9+dfsg-1_all.deb ... 211s Unpacking fonts-mathjax (2.7.9+dfsg-1) ... 211s Selecting previously unselected package libllvm17t64:arm64. 211s Preparing to unpack .../26-libllvm17t64_1%3a17.0.6-20_arm64.deb ... 211s Unpacking libllvm17t64:arm64 (1:17.0.6-20) ... 212s Selecting previously unselected package libamd-comgr2:arm64. 212s Preparing to unpack .../27-libamd-comgr2_6.0+git20231212.4510c28+dfsg-3build2_arm64.deb ... 212s Unpacking libamd-comgr2:arm64 (6.0+git20231212.4510c28+dfsg-3build2) ... 212s Selecting previously unselected package libhsakmt1:arm64. 212s Preparing to unpack .../28-libhsakmt1_5.7.0-1build1_arm64.deb ... 212s Unpacking libhsakmt1:arm64 (5.7.0-1build1) ... 212s Selecting previously unselected package libhsa-runtime64-1. 212s Preparing to unpack .../29-libhsa-runtime64-1_5.7.1-2build1_arm64.deb ... 212s Unpacking libhsa-runtime64-1 (5.7.1-2build1) ... 212s Selecting previously unselected package libamdhip64-5. 212s Preparing to unpack .../30-libamdhip64-5_5.7.1-5_arm64.deb ... 212s Unpacking libamdhip64-5 (5.7.1-5) ... 213s Selecting previously unselected package libblas3:arm64. 213s Preparing to unpack .../31-libblas3_3.12.1-2_arm64.deb ... 213s Unpacking libblas3:arm64 (3.12.1-2) ... 213s Selecting previously unselected package libevent-pthreads-2.1-7t64:arm64. 213s Preparing to unpack .../32-libevent-pthreads-2.1-7t64_2.1.12-stable-10_arm64.deb ... 213s Unpacking libevent-pthreads-2.1-7t64:arm64 (2.1.12-stable-10) ... 213s Selecting previously unselected package librdmacm1t64:arm64. 213s Preparing to unpack .../33-librdmacm1t64_55.0-1ubuntu1_arm64.deb ... 213s Unpacking librdmacm1t64:arm64 (55.0-1ubuntu1) ... 213s Selecting previously unselected package libfabric1:arm64. 213s Preparing to unpack .../34-libfabric1_1.17.0-3ubuntu1_arm64.deb ... 213s Unpacking libfabric1:arm64 (1.17.0-3ubuntu1) ... 213s Selecting previously unselected package libfftw3-double3:arm64. 213s Preparing to unpack .../35-libfftw3-double3_3.3.10-2fakesync1build1_arm64.deb ... 213s Unpacking libfftw3-double3:arm64 (3.3.10-2fakesync1build1) ... 213s Selecting previously unselected package libfftw3-long3:arm64. 213s Preparing to unpack .../36-libfftw3-long3_3.3.10-2fakesync1build1_arm64.deb ... 213s Unpacking libfftw3-long3:arm64 (3.3.10-2fakesync1build1) ... 213s Selecting previously unselected package libfftw3-single3:arm64. 213s Preparing to unpack .../37-libfftw3-single3_3.3.10-2fakesync1build1_arm64.deb ... 213s Unpacking libfftw3-single3:arm64 (3.3.10-2fakesync1build1) ... 213s Selecting previously unselected package libfftw3-bin. 213s Preparing to unpack .../38-libfftw3-bin_3.3.10-2fakesync1build1_arm64.deb ... 213s Unpacking libfftw3-bin (3.3.10-2fakesync1build1) ... 213s Selecting previously unselected package libfftw3-dev:arm64. 213s Preparing to unpack .../39-libfftw3-dev_3.3.10-2fakesync1build1_arm64.deb ... 213s Unpacking libfftw3-dev:arm64 (3.3.10-2fakesync1build1) ... 213s Selecting previously unselected package libgfortran5:arm64. 213s Preparing to unpack .../40-libgfortran5_14.2.0-17ubuntu1_arm64.deb ... 213s Unpacking libgfortran5:arm64 (14.2.0-17ubuntu1) ... 213s Selecting previously unselected package libhwloc15:arm64. 213s Preparing to unpack .../41-libhwloc15_2.11.2-1build1_arm64.deb ... 213s Unpacking libhwloc15:arm64 (2.11.2-1build1) ... 213s Selecting previously unselected package liblapack3:arm64. 213s Preparing to unpack .../42-liblapack3_3.12.1-2_arm64.deb ... 213s Unpacking liblapack3:arm64 (3.12.1-2) ... 213s Selecting previously unselected package libmuparser2v5:arm64. 213s Preparing to unpack .../43-libmuparser2v5_2.3.4-1_arm64.deb ... 213s Unpacking libmuparser2v5:arm64 (2.3.4-1) ... 213s Selecting previously unselected package libmunge2:arm64. 213s Preparing to unpack .../44-libmunge2_0.5.16-1_arm64.deb ... 213s Unpacking libmunge2:arm64 (0.5.16-1) ... 214s Selecting previously unselected package libpciaccess0:arm64. 214s Preparing to unpack .../45-libpciaccess0_0.17-3build1_arm64.deb ... 214s Unpacking libpciaccess0:arm64 (0.17-3build1) ... 214s Selecting previously unselected package libxnvctrl0:arm64. 214s Preparing to unpack .../46-libxnvctrl0_510.47.03-0ubuntu4_arm64.deb ... 214s Unpacking libxnvctrl0:arm64 (510.47.03-0ubuntu4) ... 214s Selecting previously unselected package ocl-icd-libopencl1:arm64. 214s Preparing to unpack .../47-ocl-icd-libopencl1_2.3.2-1build1_arm64.deb ... 214s Unpacking ocl-icd-libopencl1:arm64 (2.3.2-1build1) ... 214s Selecting previously unselected package libhwloc-plugins:arm64. 214s Preparing to unpack .../48-libhwloc-plugins_2.11.2-1build1_arm64.deb ... 214s Unpacking libhwloc-plugins:arm64 (2.11.2-1build1) ... 214s Selecting previously unselected package libpmix2t64:arm64. 214s Preparing to unpack .../49-libpmix2t64_5.0.6-3_arm64.deb ... 214s Unpacking libpmix2t64:arm64 (5.0.6-3) ... 214s Selecting previously unselected package libibumad3:arm64. 214s Preparing to unpack .../50-libibumad3_55.0-1ubuntu1_arm64.deb ... 214s Unpacking libibumad3:arm64 (55.0-1ubuntu1) ... 214s Selecting previously unselected package libibmad5:arm64. 214s Preparing to unpack .../51-libibmad5_55.0-1ubuntu1_arm64.deb ... 214s Unpacking libibmad5:arm64 (55.0-1ubuntu1) ... 214s Selecting previously unselected package libucx0:arm64. 214s Preparing to unpack .../52-libucx0_1.17.0+ds-3build1_arm64.deb ... 214s Unpacking libucx0:arm64 (1.17.0+ds-3build1) ... 214s Selecting previously unselected package libopenmpi40:arm64. 214s Preparing to unpack .../53-libopenmpi40_5.0.6-4_arm64.deb ... 214s Unpacking libopenmpi40:arm64 (5.0.6-4) ... 214s Selecting previously unselected package libgromacs10:arm64. 214s Preparing to unpack .../54-libgromacs10_2025.0-1_arm64.deb ... 214s Unpacking libgromacs10:arm64 (2025.0-1) ... 215s Selecting previously unselected package libnblib-gmx0:arm64. 215s Preparing to unpack .../55-libnblib-gmx0_2025.0-1_arm64.deb ... 215s Unpacking libnblib-gmx0:arm64 (2025.0-1) ... 215s Selecting previously unselected package libnblib-gmx-dev. 215s Preparing to unpack .../56-libnblib-gmx-dev_2025.0-1_arm64.deb ... 215s Unpacking libnblib-gmx-dev (2025.0-1) ... 215s Selecting previously unselected package openmpi-common. 215s Preparing to unpack .../57-openmpi-common_5.0.6-4_all.deb ... 215s Unpacking openmpi-common (5.0.6-4) ... 215s Selecting previously unselected package openmpi-bin. 215s Preparing to unpack .../58-openmpi-bin_5.0.6-4_arm64.deb ... 215s Unpacking openmpi-bin (5.0.6-4) ... 215s Selecting previously unselected package libjs-mathjax. 215s Preparing to unpack .../59-libjs-mathjax_2.7.9+dfsg-1_all.deb ... 215s Unpacking libjs-mathjax (2.7.9+dfsg-1) ... 216s Selecting previously unselected package gromacs-data. 216s Preparing to unpack .../60-gromacs-data_2025.0-1_all.deb ... 216s Unpacking gromacs-data (2025.0-1) ... 219s Selecting previously unselected package gromacs. 219s Preparing to unpack .../61-gromacs_2025.0-1_arm64.deb ... 219s Unpacking gromacs (2025.0-1) ... 219s Selecting previously unselected package libgromacs-dev. 219s Preparing to unpack .../62-libgromacs-dev_2025.0-1_arm64.deb ... 219s Unpacking libgromacs-dev (2025.0-1) ... 219s Selecting previously unselected package mpi-default-bin. 219s Preparing to unpack .../63-mpi-default-bin_1.18_arm64.deb ... 219s Unpacking mpi-default-bin (1.18) ... 219s Setting up libpciaccess0:arm64 (0.17-3build1) ... 219s Setting up fonts-mathjax (2.7.9+dfsg-1) ... 219s Setting up libjs-mathjax (2.7.9+dfsg-1) ... 219s Setting up libevent-pthreads-2.1-7t64:arm64 (2.1.12-stable-10) ... 219s Setting up libibumad3:arm64 (55.0-1ubuntu1) ... 219s Setting up libibmad5:arm64 (55.0-1ubuntu1) ... 219s Setting up libgomp1:arm64 (14.2.0-17ubuntu1) ... 219s Setting up libxnvctrl0:arm64 (510.47.03-0ubuntu4) ... 219s Setting up libblas3:arm64 (3.12.1-2) ... 219s update-alternatives: using /usr/lib/aarch64-linux-gnu/blas/libblas.so.3 to provide /usr/lib/aarch64-linux-gnu/libblas.so.3 (libblas.so.3-aarch64-linux-gnu) in auto mode 219s Setting up libmunge2:arm64 (0.5.16-1) ... 219s Setting up libllvm17t64:arm64 (1:17.0.6-20) ... 219s Setting up libhwloc15:arm64 (2.11.2-1build1) ... 219s Setting up libmpc3:arm64 (1.3.1-1build2) ... 219s Setting up libfftw3-double3:arm64 (3.3.10-2fakesync1build1) ... 219s Setting up libgfortran5:arm64 (14.2.0-17ubuntu1) ... 219s Setting up libubsan1:arm64 (14.2.0-17ubuntu1) ... 219s Setting up ocl-icd-libopencl1:arm64 (2.3.2-1build1) ... 219s Setting up libhwasan0:arm64 (14.2.0-17ubuntu1) ... 219s Setting up libasan8:arm64 (14.2.0-17ubuntu1) ... 219s Setting up openmpi-common (5.0.6-4) ... 219s Setting up librdmacm1t64:arm64 (55.0-1ubuntu1) ... 219s Setting up libamd-comgr2:arm64 (6.0+git20231212.4510c28+dfsg-3build2) ... 219s Setting up libmuparser2v5:arm64 (2.3.4-1) ... 219s Setting up libtsan2:arm64 (14.2.0-17ubuntu1) ... 219s Setting up libisl23:arm64 (0.27-1) ... 219s Setting up libcc1-0:arm64 (14.2.0-17ubuntu1) ... 219s Setting up liblsan0:arm64 (14.2.0-17ubuntu1) ... 219s Setting up libhsakmt1:arm64 (5.7.0-1build1) ... 219s Setting up libitm1:arm64 (14.2.0-17ubuntu1) ... 219s Setting up libfabric1:arm64 (1.17.0-3ubuntu1) ... 219s Setting up gromacs-data (2025.0-1) ... 219s Setting up liblapack3:arm64 (3.12.1-2) ... 219s update-alternatives: using /usr/lib/aarch64-linux-gnu/lapack/liblapack.so.3 to provide /usr/lib/aarch64-linux-gnu/liblapack.so.3 (liblapack.so.3-aarch64-linux-gnu) in auto mode 219s Setting up libfftw3-single3:arm64 (3.3.10-2fakesync1build1) ... 219s Setting up libfftw3-long3:arm64 (3.3.10-2fakesync1build1) ... 219s Setting up libhwloc-plugins:arm64 (2.11.2-1build1) ... 219s Setting up libpmix2t64:arm64 (5.0.6-3) ... 219s Setting up cpp-14-aarch64-linux-gnu (14.2.0-17ubuntu1) ... 219s Setting up libhsa-runtime64-1 (5.7.1-2build1) ... 219s Setting up libgcc-14-dev:arm64 (14.2.0-17ubuntu1) ... 219s Setting up libstdc++-14-dev:arm64 (14.2.0-17ubuntu1) ... 219s Setting up libfftw3-bin (3.3.10-2fakesync1build1) ... 219s Setting up cpp-aarch64-linux-gnu (4:14.2.0-1ubuntu1) ... 219s Setting up libamdhip64-5 (5.7.1-5) ... 219s Setting up cpp-14 (14.2.0-17ubuntu1) ... 219s Setting up cpp (4:14.2.0-1ubuntu1) ... 219s Setting up gcc-14-aarch64-linux-gnu (14.2.0-17ubuntu1) ... 219s Setting up libfftw3-dev:arm64 (3.3.10-2fakesync1build1) ... 219s Setting up gcc-aarch64-linux-gnu (4:14.2.0-1ubuntu1) ... 219s Setting up libucx0:arm64 (1.17.0+ds-3build1) ... 219s Setting up g++-14-aarch64-linux-gnu (14.2.0-17ubuntu1) ... 219s Setting up gcc-14 (14.2.0-17ubuntu1) ... 219s Setting up g++-aarch64-linux-gnu (4:14.2.0-1ubuntu1) ... 219s Setting up g++-14 (14.2.0-17ubuntu1) ... 219s Setting up libopenmpi40:arm64 (5.0.6-4) ... 219s Setting up gcc (4:14.2.0-1ubuntu1) ... 219s Setting up g++ (4:14.2.0-1ubuntu1) ... 219s update-alternatives: using /usr/bin/g++ to provide /usr/bin/c++ (c++) in auto mode 219s Setting up libgromacs10:arm64 (2025.0-1) ... 219s Setting up libgromacs-dev (2025.0-1) ... 219s Setting up build-essential (12.10ubuntu1) ... 219s Setting up libnblib-gmx0:arm64 (2025.0-1) ... 219s Setting up openmpi-bin (5.0.6-4) ... 219s update-alternatives: using /usr/bin/mpirun.openmpi to provide /usr/bin/mpirun (mpirun) in auto mode 219s 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 219s update-alternatives: using /usr/bin/mpicc.openmpi to provide /usr/bin/mpicc (mpi) in auto mode 219s Setting up libnblib-gmx-dev (2025.0-1) ... 219s Setting up mpi-default-bin (1.18) ... 219s Setting up gromacs (2025.0-1) ... 219s Processing triggers for man-db (2.13.0-1) ... 220s Processing triggers for libc-bin (2.41-1ubuntu1) ... 222s autopkgtest [01:17:51]: test gromacs-regressiontests: [----------------------- 222s ======================================================== 222s Starting regression tests: basic build, single precision 222s ======================================================== 222s Testing acetonitrilRF . . . gmx grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/acetonitrilRF/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/acetonitrilRF/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/acetonitrilRF/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/acetonitrilRF/topol -maxwarn 10 >grompp.out 2>grompp.err 222s gmx check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/acetonitrilRF/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 222s gmx mdrun -nb cpu -notunepme >mdrun.out 2>&1 222s gmx check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/acetonitrilRF/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 222s gmx check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/acetonitrilRF/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 222s PASSED but check mdp file differences 222s Testing aminoacids . . . gmx grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/aminoacids/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/aminoacids/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/aminoacids/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/aminoacids/topol -maxwarn 10 >grompp.out 2>grompp.err 222s gmx check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/aminoacids/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 222s gmx mdrun -notunepme >mdrun.out 2>&1 223s gmx check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/aminoacids/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 223s gmx check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/aminoacids/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 223s PASSED but check mdp file differences 223s Testing argon . . . gmx grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/argon/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/argon/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/argon/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/argon/topol -maxwarn 10 >grompp.out 2>grompp.err 223s gmx check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/argon/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 223s gmx mdrun -nb cpu -notunepme >mdrun.out 2>&1 223s gmx check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/argon/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 223s gmx check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/argon/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 223s PASSED but check mdp file differences 223s Testing awh_multibias . . . gmx grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/awh_multibias/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/awh_multibias/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/awh_multibias/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/awh_multibias/topol -maxwarn 10 -n /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/awh_multibias/index >grompp.out 2>grompp.err 223s gmx check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/awh_multibias/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 223s gmx mdrun -notunepme -cpi /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/awh_multibias/continue -noappend >mdrun.out 2>&1 223s gmx check -e /tmp/autopkgtest.kXA3iJ/build.uep/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 223s gmx check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/awh_multibias/reference_s.trr -f2 traj.part0002.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 223s PASSED but check mdp file differences 223s Testing awh_multidim . . . gmx grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/awh_multidim/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/awh_multidim/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/awh_multidim/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/awh_multidim/topol -maxwarn 10 -n /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/awh_multidim/index >grompp.out 2>grompp.err 223s gmx check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/awh_multidim/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 223s gmx mdrun -notunepme >mdrun.out 2>&1 223s gmx check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/awh_multidim/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 223s gmx check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/awh_multidim/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 223s PASSED but check mdp file differences 223s Testing butane . . . gmx grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/butane/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/butane/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/butane/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/butane/topol -maxwarn 10 >grompp.out 2>grompp.err 223s gmx check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/butane/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 223s gmx mdrun -notunepme >mdrun.out 2>&1 223s gmx check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/butane/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 223s gmx check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/butane/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 223s PASSED but check mdp file differences 223s Testing cbt . . . gmx grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/cbt/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/cbt/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/cbt/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/cbt/topol -maxwarn 10 >grompp.out 2>grompp.err 223s gmx check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/cbt/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 223s gmx mdrun -nb cpu -notunepme >mdrun.out 2>&1 223s gmx check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/cbt/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 223s gmx check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/cbt/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 223s PASSED but check mdp file differences 223s Testing dd121 . . . gmx grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/dd121/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/dd121/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/dd121/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/dd121/topol -maxwarn 10 >grompp.out 2>grompp.err 223s gmx check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/dd121/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 223s gmx mdrun -ntmpi 12 -notunepme >mdrun.out 2>&1 271s gmx check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/dd121/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 271s gmx check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/dd121/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 271s PASSED but check mdp file differences 271s Testing dec+water . . . gmx grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/dec+water/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/dec+water/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/dec+water/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/dec+water/topol -maxwarn 10 >grompp.out 2>grompp.err 271s gmx check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/dec+water/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 271s gmx mdrun -nb cpu -notunepme >mdrun.out 2>&1 271s gmx check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/dec+water/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 271s gmx check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/dec+water/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 271s PASSED but check mdp file differences 271s Testing distance_restraints . . . gmx grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/distance_restraints/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/distance_restraints/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/distance_restraints/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/distance_restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 271s gmx check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/distance_restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 271s gmx mdrun -ntmpi 1 -notunepme >mdrun.out 2>&1 271s gmx check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/distance_restraints/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 271s gmx check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/distance_restraints/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 271s PASSED but check mdp file differences 271s Testing ethyleenglycol . . . gmx grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/ethyleenglycol/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/ethyleenglycol/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/ethyleenglycol/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/ethyleenglycol/topol -maxwarn 10 >grompp.out 2>grompp.err 271s gmx check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/ethyleenglycol/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 271s gmx mdrun -notunepme >mdrun.out 2>&1 272s gmx check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/ethyleenglycol/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 272s gmx check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/ethyleenglycol/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 272s PASSED but check mdp file differences 272s Testing field . . . gmx grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/field/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/field/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/field/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/field/topol -maxwarn 10 >grompp.out 2>grompp.err 272s gmx check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/field/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 272s gmx mdrun -notunepme >mdrun.out 2>&1 272s gmx check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/field/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 272s gmx check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/field/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 272s PASSED but check mdp file differences 272s Testing nacl . . . gmx grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nacl/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nacl/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nacl/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nacl/topol -maxwarn 10 >grompp.out 2>grompp.err 272s gmx check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nacl/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 272s gmx mdrun -notunepme >mdrun.out 2>&1 296s gmx check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nacl/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 296s gmx check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nacl/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 nbnxn-energy-groups . . . gmx grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-energy-groups/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-energy-groups/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-energy-groups/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-energy-groups/topol -maxwarn 10 >grompp.out 2>grompp.err 296s gmx check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-energy-groups/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 296s gmx mdrun -nb cpu -notunepme >mdrun.out 2>&1 314s gmx check -e /tmp/autopkgtest.kXA3iJ/build.uep/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 314s gmx check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-energy-groups/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 314s PASSED but check mdp file differences 314s Testing nbnxn-free-energy . . . gmx grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-free-energy/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-free-energy/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-free-energy/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-free-energy/topol -maxwarn 10 >grompp.out 2>grompp.err 314s gmx check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-free-energy/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 314s gmx mdrun -notunepme >mdrun.out 2>&1 332s gmx check -e /tmp/autopkgtest.kXA3iJ/build.uep/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 333s gmx check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-free-energy/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 nbnxn-free-energy-vv . . . gmx grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-free-energy-vv/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-free-energy-vv/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-free-energy-vv/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-free-energy-vv/topol -maxwarn 10 >grompp.out 2>grompp.err 333s gmx check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-free-energy-vv/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 333s gmx mdrun -notunepme >mdrun.out 2>&1 349s gmx check -e /tmp/autopkgtest.kXA3iJ/build.uep/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 349s gmx check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-free-energy-vv/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 349s PASSED but check mdp file differences 349s Testing nbnxn-ljpme-geometric . . . gmx grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-ljpme-geometric/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-ljpme-geometric/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-ljpme-geometric/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-ljpme-geometric/topol -maxwarn 10 >grompp.out 2>grompp.err 349s gmx check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-ljpme-geometric/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 349s gmx mdrun -notunepme >mdrun.out 2>&1 363s gmx check -e /tmp/autopkgtest.kXA3iJ/build.uep/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 363s gmx check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-ljpme-geometric/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 363s PASSED but check mdp file differences 363s Testing nbnxn-ljpme-LB . . . gmx grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-ljpme-LB/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-ljpme-LB/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-ljpme-LB/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-ljpme-LB/topol -maxwarn 10 >grompp.out 2>grompp.err 363s gmx check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-ljpme-LB/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 363s gmx mdrun -notunepme >mdrun.out 2>&1 428s gmx check -e /tmp/autopkgtest.kXA3iJ/build.uep/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 428s gmx check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-ljpme-LB/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 428s PASSED but check mdp file differences 428s Testing nbnxn-ljpme-LB-geometric . . . gmx grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/topol -maxwarn 10 >grompp.out 2>grompp.err 428s gmx check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 428s gmx mdrun -notunepme >mdrun.out 2>&1 492s gmx check -e /tmp/autopkgtest.kXA3iJ/build.uep/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 492s gmx check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 492s PASSED but check mdp file differences 492s Testing nbnxn-vdw-force-switch . . . gmx grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-vdw-force-switch/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-vdw-force-switch/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-vdw-force-switch/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-vdw-force-switch/topol -maxwarn 10 >grompp.out 2>grompp.err 492s gmx check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-vdw-force-switch/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 492s gmx mdrun -notunepme >mdrun.out 2>&1 511s gmx check -e /tmp/autopkgtest.kXA3iJ/build.uep/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 511s gmx check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-vdw-force-switch/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 511s PASSED but check mdp file differences 511s Testing nbnxn-vdw-potential-switch . . . gmx grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-vdw-potential-switch/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-vdw-potential-switch/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-vdw-potential-switch/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-vdw-potential-switch/topol -maxwarn 10 >grompp.out 2>grompp.err 511s gmx check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-vdw-potential-switch/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 511s gmx mdrun -notunepme >mdrun.out 2>&1 529s gmx check -e /tmp/autopkgtest.kXA3iJ/build.uep/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 529s gmx check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-vdw-potential-switch/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 529s PASSED but check mdp file differences 529s Testing nbnxn-vdw-potential-switch-argon . . . gmx grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/topol -maxwarn 10 >grompp.out 2>grompp.err 529s gmx check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/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 529s gmx mdrun -notunepme >mdrun.out 2>&1 529s gmx check -e /tmp/autopkgtest.kXA3iJ/build.uep/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 529s gmx check -f /tmp/autopkgtest.kXA3iJ/build.uep/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 529s PASSED but check mdp file differences 529s Testing nbnxn_pme . . . gmx grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_pme/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_pme/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_pme/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_pme/topol -maxwarn 10 >grompp.out 2>grompp.err 529s gmx check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_pme/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 529s gmx mdrun -notunepme >mdrun.out 2>&1 548s gmx check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_pme/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 548s gmx check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_pme/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 548s PASSED but check mdp file differences 548s Testing nbnxn_pme_order5 . . . gmx grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_pme_order5/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_pme_order5/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_pme_order5/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_pme_order5/topol -maxwarn 10 >grompp.out 2>grompp.err 548s gmx check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_pme_order5/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 548s gmx mdrun -notunepme >mdrun.out 2>&1 566s gmx check -e /tmp/autopkgtest.kXA3iJ/build.uep/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 566s gmx check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_pme_order5/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 566s PASSED but check mdp file differences 566s Testing nbnxn_pme_order6 . . . gmx grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_pme_order6/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_pme_order6/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_pme_order6/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_pme_order6/topol -maxwarn 10 >grompp.out 2>grompp.err 567s gmx check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_pme_order6/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 567s gmx mdrun -notunepme >mdrun.out 2>&1 585s gmx check -e /tmp/autopkgtest.kXA3iJ/build.uep/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 585s gmx check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_pme_order6/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 585s PASSED but check mdp file differences 585s Testing nbnxn_rf . . . gmx grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_rf/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_rf/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_rf/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_rf/topol -maxwarn 10 >grompp.out 2>grompp.err 585s gmx check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_rf/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 585s gmx mdrun -notunepme >mdrun.out 2>&1 585s gmx check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_rf/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 585s gmx check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_rf/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 585s PASSED but check mdp file differences 585s Testing nbnxn_rzero . . . gmx grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_rzero/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_rzero/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_rzero/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_rzero/topol -maxwarn 10 >grompp.out 2>grompp.err 585s gmx check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_rzero/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 585s gmx mdrun -notunepme >mdrun.out 2>&1 585s gmx check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_rzero/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 585s gmx check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_rzero/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 585s PASSED but check mdp file differences 585s Testing nbnxn_vsite . . . gmx grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_vsite/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_vsite/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_vsite/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_vsite/topol -maxwarn 10 >grompp.out 2>grompp.err 585s gmx check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_vsite/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 585s gmx mdrun -ntmpi 6 -notunepme >mdrun.out 2>&1 620s gmx check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_vsite/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 620s gmx check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_vsite/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 620s PASSED but check mdp file differences 620s Testing nst_mismatch . . . gmx grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nst_mismatch/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nst_mismatch/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nst_mismatch/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nst_mismatch/topol -maxwarn 10 >grompp.out 2>grompp.err 620s gmx check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nst_mismatch/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 620s gmx mdrun -notunepme >mdrun.out 2>&1 621s gmx check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nst_mismatch/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 621s gmx check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nst_mismatch/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 621s PASSED but check mdp file differences 621s Testing octahedron . . . gmx grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/octahedron/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/octahedron/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/octahedron/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/octahedron/topol -maxwarn 10 >grompp.out 2>grompp.err 621s gmx check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/octahedron/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 621s gmx mdrun -notunepme >mdrun.out 2>&1 655s gmx check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/octahedron/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 655s gmx check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/octahedron/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 655s PASSED but check mdp file differences 655s Testing orientation-restraints . . . gmx grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/orientation-restraints/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/orientation-restraints/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/orientation-restraints/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/orientation-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 655s gmx check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/orientation-restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 655s gmx mdrun -ntmpi 1 -notunepme >mdrun.out 2>&1 724s gmx check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/orientation-restraints/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 724s gmx check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/orientation-restraints/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 724s PASSED but check mdp file differences 724s Testing position-restraints . . . gmx grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/position-restraints/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/position-restraints/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/position-restraints/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/position-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 725s gmx check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/position-restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 725s gmx mdrun -notunepme >mdrun.out 2>&1 725s gmx check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/position-restraints/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 725s gmx check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/position-restraints/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 725s PASSED but check mdp file differences 725s Testing pr-vrescale . . . gmx grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pr-vrescale/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pr-vrescale/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pr-vrescale/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pr-vrescale/topol -maxwarn 10 >grompp.out 2>grompp.err 725s gmx check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pr-vrescale/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 725s gmx mdrun -notunepme >mdrun.out 2>&1 743s gmx check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pr-vrescale/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 743s gmx check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pr-vrescale/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 743s PASSED but check mdp file differences 743s Testing pull_constraint . . . gmx grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_constraint/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_constraint/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_constraint/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_constraint/topol -maxwarn 10 -n /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_constraint/index >grompp.out 2>grompp.err 743s gmx check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_constraint/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 743s gmx mdrun -notunepme >mdrun.out 2>&1 744s gmx check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_constraint/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 744s gmx check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_constraint/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 744s PASSED but check mdp file differences 744s Testing pull_cylinder . . . gmx grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_cylinder/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_cylinder/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_cylinder/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_cylinder/topol -maxwarn 10 -n /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_cylinder/index >grompp.out 2>grompp.err 744s gmx check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_cylinder/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 744s gmx mdrun -notunepme >mdrun.out 2>&1 744s gmx check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_cylinder/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 744s gmx check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_cylinder/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 744s PASSED but check mdp file differences 744s Testing pull_geometry_angle . . . gmx grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_geometry_angle/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_geometry_angle/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_geometry_angle/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_geometry_angle/topol -maxwarn 10 -n /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_geometry_angle/index >grompp.out 2>grompp.err 744s gmx check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_geometry_angle/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 744s gmx mdrun -notunepme >mdrun.out 2>&1 767s gmx check -e /tmp/autopkgtest.kXA3iJ/build.uep/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 767s gmx check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_geometry_angle/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 767s PASSED but check mdp file differences 767s Testing pull_geometry_angle-axis . . . gmx grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_geometry_angle-axis/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_geometry_angle-axis/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_geometry_angle-axis/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_geometry_angle-axis/topol -maxwarn 10 -n /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_geometry_angle-axis/index >grompp.out 2>grompp.err 767s gmx check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_geometry_angle-axis/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 767s gmx mdrun -notunepme >mdrun.out 2>&1 791s gmx check -e /tmp/autopkgtest.kXA3iJ/build.uep/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 791s gmx check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_geometry_angle-axis/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 791s PASSED but check mdp file differences 791s Testing pull_geometry_dihedral . . . gmx grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_geometry_dihedral/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_geometry_dihedral/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_geometry_dihedral/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_geometry_dihedral/topol -maxwarn 10 -n /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_geometry_dihedral/index >grompp.out 2>grompp.err 791s gmx check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_geometry_dihedral/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 791s gmx mdrun -notunepme >mdrun.out 2>&1 814s gmx check -e /tmp/autopkgtest.kXA3iJ/build.uep/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 814s gmx check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_geometry_dihedral/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 814s PASSED but check mdp file differences 814s Testing reb . . . gmx grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/reb/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/reb/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/reb/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/reb/topol -maxwarn 10 >grompp.out 2>grompp.err 814s gmx check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/reb/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 814s gmx mdrun -nb cpu -notunepme >mdrun.out 2>&1 814s gmx check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/reb/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 814s gmx check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/reb/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 814s PASSED but check mdp file differences 814s Testing sw . . . gmx grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/sw/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/sw/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/sw/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/sw/topol -maxwarn 10 >grompp.out 2>grompp.err 814s gmx check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/sw/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 814s gmx mdrun -ntmpi 1 -notunepme >mdrun.out 2>&1 827s gmx check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/sw/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 827s gmx check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/sw/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 827s PASSED but check mdp file differences 827s Testing swap_x . . . gmx grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_x/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_x/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_x/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_x/topol -maxwarn 10 -n /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_x/index >grompp.out 2>grompp.err 827s gmx check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_x/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 827s gmx mdrun -notunepme >mdrun.out 2>&1 870s gmx check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_x/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 870s gmx check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_x/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 870s PASSED but check mdp file differences 870s Testing swap_y . . . gmx grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_y/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_y/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_y/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_y/topol -maxwarn 10 -n /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_y/index >grompp.out 2>grompp.err 871s gmx check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_y/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 871s gmx mdrun -notunepme >mdrun.out 2>&1 913s gmx check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_y/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 913s gmx check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_y/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 913s PASSED but check mdp file differences 913s Testing swap_z . . . gmx grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_z/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_z/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_z/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_z/topol -maxwarn 10 -n /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_z/index >grompp.out 2>grompp.err 914s gmx check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_z/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 914s gmx mdrun -notunepme >mdrun.out 2>&1 963s gmx check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_z/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 963s gmx check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_z/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 963s PASSED but check mdp file differences 963s Testing tip4p . . . gmx grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/tip4p/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/tip4p/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/tip4p/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/tip4p/topol -maxwarn 10 >grompp.out 2>grompp.err 964s gmx check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/tip4p/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 964s gmx mdrun -notunepme >mdrun.out 2>&1 965s gmx check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/tip4p/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 965s gmx check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/tip4p/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 965s PASSED but check mdp file differences 965s Testing tip4p_continue . . . gmx grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/tip4p_continue/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/tip4p_continue/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/tip4p_continue/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/tip4p_continue/topol -maxwarn 10 >grompp.out 2>grompp.err 965s gmx check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/tip4p_continue/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 965s gmx mdrun -notunepme -cpi /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/tip4p_continue/continue -noappend >mdrun.out 2>&1 966s gmx check -e /tmp/autopkgtest.kXA3iJ/build.uep/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 966s gmx check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/tip4p_continue/reference_s.trr -f2 traj.part0002.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 966s PASSED but check mdp file differences 966s Testing tip4pflex . . . gmx grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/tip4pflex/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/tip4pflex/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/tip4pflex/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/tip4pflex/topol -maxwarn 10 >grompp.out 2>grompp.err 966s gmx check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/tip4pflex/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 966s gmx mdrun -notunepme >mdrun.out 2>&1 982s gmx check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/tip4pflex/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 982s gmx check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/tip4pflex/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 982s PASSED but check mdp file differences 982s Testing urea . . . gmx grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/urea/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/urea/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/urea/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/urea/topol -maxwarn 10 >grompp.out 2>grompp.err 982s gmx check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/urea/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 982s gmx mdrun -notunepme >mdrun.out 2>&1 982s gmx check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/urea/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 982s gmx check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/urea/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 982s PASSED but check mdp file differences 982s Testing walls . . . gmx grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/walls/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/walls/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/walls/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/walls/topol -maxwarn 10 >grompp.out 2>grompp.err 982s gmx check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/walls/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 982s gmx mdrun -notunepme >mdrun.out 2>&1 998s gmx check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/walls/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 998s gmx check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/walls/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 998s PASSED but check mdp file differences 998s All 48 complex tests PASSED 998s All 0 extra tests PASSED 998s Testing linfix . . . 998s gmx grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/linfix/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/linfix/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/linfix/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/linfix/topol -maxwarn 2 >grompp.out 2>grompp.err 998s echo 0 | gmx make_edi -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/linfix/eigenvec.trr -outfrq 1 -linfix 1 -linstep 0.0013 -o sam.edi 1>make_edi.out 2>make_edi.err 998s gmx mdrun -ei sam.edi -eo linfix.xvg >mdrun.out 2>&1 998s Comparing column #0 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 0 998s Comparing column #1 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 0.05 998s Comparing column #2 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 1e-06 998s Testing linacc . . . 998s gmx grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/linacc/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/linacc/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/linacc/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/linacc/topol -maxwarn 2 >grompp.out 2>grompp.err 998s echo 0 | gmx make_edi -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/linacc/eigenvec.trr -outfrq 2 -linacc 1 -accdir +1 -o sam.edi 1>make_edi.out 2>make_edi.err 998s gmx mdrun -ei sam.edi -eo linacc.xvg >mdrun.out 2>&1 998s Comparing column #0 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0 998s Comparing column #1 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0.005 998s Comparing column #2 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0.001 998s Checking monotonicity for column 2 of file linacc.xvg ... values of column 2 are increasing monotonically. 998s Testing radfix . . . 998s gmx grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/radfix/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/radfix/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/radfix/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/radfix/topol -maxwarn 2 >grompp.out 2>grompp.err 998s echo 0 | gmx make_edi -f /tmp/autopkgtest.kXA3iJ/build.uep/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 998s gmx mdrun -ei sam.edi -eo radfix.xvg >mdrun.out 2>&1 998s Comparing column #0 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0 998s Comparing column #1 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0.05 998s Comparing column #4 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0 998s Checking radius for file radfix.xvg ... all values within tolerance of 1e-05 998s Testing radacc . . . 998s gmx grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/radacc/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/radacc/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/radacc/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/radacc/topol -maxwarn 2 >grompp.out 2>grompp.err 998s echo 0 | gmx make_edi -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/radacc/eigenvec.trr -outfrq 3 -radacc 1-2 -o sam.edi 1>make_edi.out 2>make_edi.err 998s gmx mdrun -ei sam.edi -eo radacc.xvg >mdrun.out 2>&1 998s Comparing column #0 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/radacc/edsam_reference.xvg and radacc.xvg ... all within tolerance of 0 998s Comparing column #1 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/radacc/edsam_reference.xvg and radacc.xvg ... all within tolerance of 0.05 998s Checking radius for file radacc.xvg ... all values within tolerance of 1e-05 998s Checking monotonicity for column 4 of file radacc.xvg ... values of column 4 are increasing monotonically. 998s Testing radcon . . . 998s gmx grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/radcon/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/radcon/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/radcon/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/radcon/topol -maxwarn 2 >grompp.out 2>grompp.err 998s echo 0 0 | gmx make_edi -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/radcon/eigenvec.trr -outfrq 1 -radcon 1-2 -tar /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/radcon/target.pdb -o sam.edi 1>make_edi.out 2>make_edi.err 998s gmx mdrun -ei sam.edi -eo radcon.xvg >mdrun.out 2>&1 998s Comparing column #0 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/radcon/edsam_reference.xvg and radcon.xvg ... all within tolerance of 0 998s Comparing column #1 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/radcon/edsam_reference.xvg and radcon.xvg ... all within tolerance of 0.05 998s Checking radius for file radcon.xvg ... all values within tolerance of 1e-05 998s Checking monotonicity for column 4 of file radcon.xvg ... values of column 4 are decreasing monotonically. 998s Testing flooding1 . . . 998s gmx grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding1/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding1/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding1/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding1/topol -maxwarn 2 >grompp.out 2>grompp.err 998s gmx mdrun -ei /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding1/sam.edi -eo flooding1.xvg >mdrun.out 2>&1 1008s Comparing column #0 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 0 1008s Comparing column #1 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 1008s Comparing column #2 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 1008s Comparing column #3 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 1008s Comparing column #4 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 1008s Comparing column #5 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 1008s Comparing column #6 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 1008s Comparing column #7 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 1008s Testing flooding2 . . . 1008s gmx grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding2/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding2/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding2/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding2/topol -maxwarn 2 >grompp.out 2>grompp.err 1008s gmx mdrun -ei /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding2/sam.edi -eo flooding2.xvg >mdrun.out 2>&1 1019s Comparing column #0 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0 1019s Comparing column #1 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.05 1019s Comparing column #2 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.025 1019s Comparing column #3 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 250 1019s Comparing column #4 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 1000 1019s Comparing column #5 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.025 1019s Comparing column #6 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 250 1019s Comparing column #7 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 1000 1019s All 7 essential dynamics tests PASSED 1019s ======================================================== 1019s Starting regression tests: basic build, double precision 1019s ======================================================== 1019s Testing acetonitrilRF . . . gmx_d grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/acetonitrilRF/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/acetonitrilRF/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/acetonitrilRF/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/acetonitrilRF/topol -maxwarn 10 >grompp.out 2>grompp.err 1019s gmx_d check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/acetonitrilRF/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1019s gmx_d mdrun -nb cpu -notunepme >mdrun.out 2>&1 1019s gmx_d check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/acetonitrilRF/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1019s gmx_d check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/acetonitrilRF/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1019s PASSED but check mdp file differences 1019s Testing aminoacids . . . gmx_d grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/aminoacids/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/aminoacids/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/aminoacids/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/aminoacids/topol -maxwarn 10 >grompp.out 2>grompp.err 1019s gmx_d check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/aminoacids/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1019s gmx_d mdrun -notunepme >mdrun.out 2>&1 1019s gmx_d check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/aminoacids/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1019s gmx_d check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/aminoacids/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1019s PASSED but check mdp file differences 1019s Testing argon . . . gmx_d grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/argon/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/argon/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/argon/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/argon/topol -maxwarn 10 >grompp.out 2>grompp.err 1019s gmx_d check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/argon/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1019s gmx_d mdrun -nb cpu -notunepme >mdrun.out 2>&1 1020s gmx_d check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/argon/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1020s gmx_d check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/argon/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1020s PASSED but check mdp file differences 1020s Testing awh_multibias . . . gmx_d grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/awh_multibias/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/awh_multibias/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/awh_multibias/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/awh_multibias/topol -maxwarn 10 -n /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/awh_multibias/index >grompp.out 2>grompp.err 1020s gmx_d check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/awh_multibias/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1020s gmx_d mdrun -notunepme -cpi /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/awh_multibias/continue -noappend >mdrun.out 2>&1 1020s gmx_d check -e /tmp/autopkgtest.kXA3iJ/build.uep/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 1020s gmx_d check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/awh_multibias/reference_d.trr -f2 traj.part0002.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1020s PASSED but check mdp file differences 1020s Testing awh_multidim . . . gmx_d grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/awh_multidim/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/awh_multidim/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/awh_multidim/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/awh_multidim/topol -maxwarn 10 -n /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/awh_multidim/index >grompp.out 2>grompp.err 1020s gmx_d check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/awh_multidim/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1020s gmx_d mdrun -notunepme >mdrun.out 2>&1 1020s gmx_d check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/awh_multidim/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1020s gmx_d check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/awh_multidim/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1020s PASSED but check mdp file differences 1020s Testing butane . . . gmx_d grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/butane/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/butane/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/butane/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/butane/topol -maxwarn 10 >grompp.out 2>grompp.err 1020s gmx_d check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/butane/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1020s gmx_d mdrun -notunepme >mdrun.out 2>&1 1020s gmx_d check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/butane/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1020s gmx_d check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/butane/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1020s PASSED but check mdp file differences 1020s Testing cbt . . . gmx_d grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/cbt/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/cbt/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/cbt/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/cbt/topol -maxwarn 10 >grompp.out 2>grompp.err 1020s gmx_d check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/cbt/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1020s gmx_d mdrun -nb cpu -notunepme >mdrun.out 2>&1 1020s gmx_d check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/cbt/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1020s gmx_d check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/cbt/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1020s PASSED but check mdp file differences 1020s Testing dd121 . . . gmx_d grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/dd121/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/dd121/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/dd121/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/dd121/topol -maxwarn 10 >grompp.out 2>grompp.err 1020s gmx_d check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/dd121/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1020s gmx_d mdrun -ntmpi 12 -notunepme >mdrun.out 2>&1 1035s gmx_d check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/dd121/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1035s gmx_d check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/dd121/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1035s PASSED but check mdp file differences 1035s Testing dec+water . . . gmx_d grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/dec+water/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/dec+water/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/dec+water/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/dec+water/topol -maxwarn 10 >grompp.out 2>grompp.err 1035s gmx_d check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/dec+water/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1035s gmx_d mdrun -nb cpu -notunepme >mdrun.out 2>&1 1035s gmx_d check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/dec+water/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1035s gmx_d check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/dec+water/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1035s PASSED but check mdp file differences 1035s Testing distance_restraints . . . gmx_d grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/distance_restraints/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/distance_restraints/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/distance_restraints/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/distance_restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 1035s gmx_d check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/distance_restraints/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1035s gmx_d mdrun -ntmpi 1 -notunepme >mdrun.out 2>&1 1036s gmx_d check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/distance_restraints/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1036s gmx_d check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/distance_restraints/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1036s PASSED but check mdp file differences 1036s Testing ethyleenglycol . . . gmx_d grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/ethyleenglycol/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/ethyleenglycol/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/ethyleenglycol/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/ethyleenglycol/topol -maxwarn 10 >grompp.out 2>grompp.err 1036s gmx_d check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/ethyleenglycol/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1036s gmx_d mdrun -notunepme >mdrun.out 2>&1 1036s gmx_d check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/ethyleenglycol/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1036s gmx_d check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/ethyleenglycol/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1036s PASSED but check mdp file differences 1036s Testing field . . . gmx_d grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/field/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/field/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/field/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/field/topol -maxwarn 10 >grompp.out 2>grompp.err 1036s gmx_d check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/field/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1036s gmx_d mdrun -notunepme >mdrun.out 2>&1 1036s gmx_d check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/field/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1037s gmx_d check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/field/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1037s PASSED but check mdp file differences 1037s Testing nacl . . . gmx_d grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nacl/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nacl/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nacl/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nacl/topol -maxwarn 10 >grompp.out 2>grompp.err 1037s gmx_d check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nacl/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1037s gmx_d mdrun -notunepme >mdrun.out 2>&1 1037s gmx_d check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nacl/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1037s gmx_d check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nacl/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1037s PASSED but check mdp file differences 1037s Testing nbnxn-energy-groups . . . gmx_d grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-energy-groups/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-energy-groups/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-energy-groups/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-energy-groups/topol -maxwarn 10 >grompp.out 2>grompp.err 1037s gmx_d check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-energy-groups/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1037s gmx_d mdrun -nb cpu -notunepme >mdrun.out 2>&1 1037s gmx_d check -e /tmp/autopkgtest.kXA3iJ/build.uep/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 1037s gmx_d check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-energy-groups/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1037s PASSED but check mdp file differences 1037s Testing nbnxn-free-energy . . . gmx_d grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-free-energy/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-free-energy/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-free-energy/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-free-energy/topol -maxwarn 10 >grompp.out 2>grompp.err 1037s gmx_d check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-free-energy/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1037s gmx_d mdrun -notunepme >mdrun.out 2>&1 1037s gmx_d check -e /tmp/autopkgtest.kXA3iJ/build.uep/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 1037s gmx_d check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-free-energy/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1037s PASSED but check mdp file differences 1037s Testing nbnxn-free-energy-vv . . . gmx_d grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-free-energy-vv/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-free-energy-vv/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-free-energy-vv/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-free-energy-vv/topol -maxwarn 10 >grompp.out 2>grompp.err 1037s gmx_d check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-free-energy-vv/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1037s gmx_d mdrun -notunepme >mdrun.out 2>&1 1037s gmx_d check -e /tmp/autopkgtest.kXA3iJ/build.uep/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 1037s gmx_d check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-free-energy-vv/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1037s PASSED but check mdp file differences 1037s Testing nbnxn-ljpme-geometric . . . gmx_d grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-ljpme-geometric/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-ljpme-geometric/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-ljpme-geometric/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-ljpme-geometric/topol -maxwarn 10 >grompp.out 2>grompp.err 1037s gmx_d check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-ljpme-geometric/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1037s gmx_d mdrun -notunepme >mdrun.out 2>&1 1038s gmx_d check -e /tmp/autopkgtest.kXA3iJ/build.uep/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 1038s gmx_d check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-ljpme-geometric/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1038s PASSED but check mdp file differences 1038s Testing nbnxn-ljpme-LB . . . gmx_d grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-ljpme-LB/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-ljpme-LB/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-ljpme-LB/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-ljpme-LB/topol -maxwarn 10 >grompp.out 2>grompp.err 1038s gmx_d check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-ljpme-LB/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1038s gmx_d mdrun -notunepme >mdrun.out 2>&1 1038s gmx_d check -e /tmp/autopkgtest.kXA3iJ/build.uep/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 1038s gmx_d check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-ljpme-LB/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1038s PASSED but check mdp file differences 1038s Testing nbnxn-ljpme-LB-geometric . . . gmx_d grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/topol -maxwarn 10 >grompp.out 2>grompp.err 1038s gmx_d check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1038s gmx_d mdrun -notunepme >mdrun.out 2>&1 1039s gmx_d check -e /tmp/autopkgtest.kXA3iJ/build.uep/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 1039s gmx_d check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1039s PASSED but check mdp file differences 1039s Testing nbnxn-vdw-force-switch . . . gmx_d grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-vdw-force-switch/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-vdw-force-switch/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-vdw-force-switch/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-vdw-force-switch/topol -maxwarn 10 >grompp.out 2>grompp.err 1039s gmx_d check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-vdw-force-switch/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1039s gmx_d mdrun -notunepme >mdrun.out 2>&1 1039s gmx_d check -e /tmp/autopkgtest.kXA3iJ/build.uep/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 1039s gmx_d check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-vdw-force-switch/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1039s PASSED but check mdp file differences 1039s Testing nbnxn-vdw-potential-switch . . . gmx_d grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-vdw-potential-switch/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-vdw-potential-switch/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-vdw-potential-switch/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-vdw-potential-switch/topol -maxwarn 10 >grompp.out 2>grompp.err 1039s gmx_d check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-vdw-potential-switch/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1039s gmx_d mdrun -notunepme >mdrun.out 2>&1 1039s gmx_d check -e /tmp/autopkgtest.kXA3iJ/build.uep/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 1039s gmx_d check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-vdw-potential-switch/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1039s PASSED but check mdp file differences 1039s Testing nbnxn-vdw-potential-switch-argon . . . gmx_d grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/topol -maxwarn 10 >grompp.out 2>grompp.err 1039s gmx_d check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/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 1039s gmx_d mdrun -notunepme >mdrun.out 2>&1 1039s gmx_d check -e /tmp/autopkgtest.kXA3iJ/build.uep/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 1039s gmx_d check -f /tmp/autopkgtest.kXA3iJ/build.uep/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 1039s PASSED but check mdp file differences 1039s Testing nbnxn_pme . . . gmx_d grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_pme/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_pme/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_pme/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_pme/topol -maxwarn 10 >grompp.out 2>grompp.err 1039s gmx_d check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_pme/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1039s gmx_d mdrun -notunepme >mdrun.out 2>&1 1039s gmx_d check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_pme/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1039s gmx_d check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_pme/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1039s PASSED but check mdp file differences 1039s Testing nbnxn_pme_order5 . . . gmx_d grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_pme_order5/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_pme_order5/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_pme_order5/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_pme_order5/topol -maxwarn 10 >grompp.out 2>grompp.err 1039s gmx_d check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_pme_order5/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1039s gmx_d mdrun -notunepme >mdrun.out 2>&1 1040s gmx_d check -e /tmp/autopkgtest.kXA3iJ/build.uep/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 1040s gmx_d check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_pme_order5/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1040s PASSED but check mdp file differences 1040s Testing nbnxn_pme_order6 . . . gmx_d grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_pme_order6/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_pme_order6/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_pme_order6/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_pme_order6/topol -maxwarn 10 >grompp.out 2>grompp.err 1040s gmx_d check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_pme_order6/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1040s gmx_d mdrun -notunepme >mdrun.out 2>&1 1040s gmx_d check -e /tmp/autopkgtest.kXA3iJ/build.uep/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 1040s gmx_d check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_pme_order6/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1040s PASSED but check mdp file differences 1040s Testing nbnxn_rf . . . gmx_d grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_rf/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_rf/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_rf/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_rf/topol -maxwarn 10 >grompp.out 2>grompp.err 1040s gmx_d check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_rf/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1040s gmx_d mdrun -notunepme >mdrun.out 2>&1 1040s gmx_d check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_rf/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1040s gmx_d check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_rf/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1040s PASSED but check mdp file differences 1040s Testing nbnxn_rzero . . . gmx_d grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_rzero/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_rzero/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_rzero/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_rzero/topol -maxwarn 10 >grompp.out 2>grompp.err 1040s gmx_d check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_rzero/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1040s gmx_d mdrun -notunepme >mdrun.out 2>&1 1040s gmx_d check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_rzero/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1040s gmx_d check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_rzero/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1040s PASSED but check mdp file differences 1040s Testing nbnxn_vsite . . . gmx_d grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_vsite/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_vsite/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_vsite/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_vsite/topol -maxwarn 10 >grompp.out 2>grompp.err 1040s gmx_d check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_vsite/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1040s gmx_d mdrun -ntmpi 6 -notunepme >mdrun.out 2>&1 1046s gmx_d check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_vsite/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1046s gmx_d check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_vsite/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1046s PASSED but check mdp file differences 1046s Testing nst_mismatch . . . gmx_d grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nst_mismatch/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nst_mismatch/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nst_mismatch/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nst_mismatch/topol -maxwarn 10 >grompp.out 2>grompp.err 1047s gmx_d check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nst_mismatch/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1047s gmx_d mdrun -notunepme >mdrun.out 2>&1 1047s gmx_d check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nst_mismatch/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1047s gmx_d check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nst_mismatch/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1047s PASSED but check mdp file differences 1047s Testing octahedron . . . gmx_d grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/octahedron/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/octahedron/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/octahedron/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/octahedron/topol -maxwarn 10 >grompp.out 2>grompp.err 1047s gmx_d check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/octahedron/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1047s gmx_d mdrun -notunepme >mdrun.out 2>&1 1047s gmx_d check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/octahedron/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1047s gmx_d check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/octahedron/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1047s PASSED but check mdp file differences 1047s Testing orientation-restraints . . . gmx_d grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/orientation-restraints/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/orientation-restraints/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/orientation-restraints/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/orientation-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 1047s gmx_d check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/orientation-restraints/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1047s gmx_d mdrun -ntmpi 1 -notunepme >mdrun.out 2>&1 1051s gmx_d check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/orientation-restraints/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1051s gmx_d check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/orientation-restraints/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1051s PASSED but check mdp file differences 1051s Testing position-restraints . . . gmx_d grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/position-restraints/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/position-restraints/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/position-restraints/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/position-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 1051s gmx_d check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/position-restraints/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1051s gmx_d mdrun -notunepme >mdrun.out 2>&1 1051s gmx_d check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/position-restraints/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1051s gmx_d check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/position-restraints/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1051s PASSED but check mdp file differences 1051s Testing pr-vrescale . . . gmx_d grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pr-vrescale/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pr-vrescale/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pr-vrescale/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pr-vrescale/topol -maxwarn 10 >grompp.out 2>grompp.err 1051s gmx_d check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pr-vrescale/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1051s gmx_d mdrun -notunepme >mdrun.out 2>&1 1052s gmx_d check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pr-vrescale/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1052s gmx_d check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pr-vrescale/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1052s PASSED but check mdp file differences 1052s Testing pull_constraint . . . gmx_d grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_constraint/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_constraint/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_constraint/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_constraint/topol -maxwarn 10 -n /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_constraint/index >grompp.out 2>grompp.err 1052s gmx_d check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_constraint/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1052s gmx_d mdrun -notunepme >mdrun.out 2>&1 1052s gmx_d check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_constraint/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1052s gmx_d check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_constraint/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1052s PASSED but check mdp file differences 1052s Testing pull_cylinder . . . gmx_d grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_cylinder/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_cylinder/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_cylinder/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_cylinder/topol -maxwarn 10 -n /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_cylinder/index >grompp.out 2>grompp.err 1052s gmx_d check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_cylinder/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1052s gmx_d mdrun -notunepme >mdrun.out 2>&1 1052s gmx_d check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_cylinder/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1052s gmx_d check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_cylinder/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1052s PASSED but check mdp file differences 1052s Testing pull_geometry_angle . . . gmx_d grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_geometry_angle/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_geometry_angle/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_geometry_angle/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_geometry_angle/topol -maxwarn 10 -n /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_geometry_angle/index >grompp.out 2>grompp.err 1052s gmx_d check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_geometry_angle/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1052s gmx_d mdrun -notunepme >mdrun.out 2>&1 1052s gmx_d check -e /tmp/autopkgtest.kXA3iJ/build.uep/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 1052s gmx_d check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_geometry_angle/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1052s PASSED but check mdp file differences 1052s Testing pull_geometry_angle-axis . . . gmx_d grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_geometry_angle-axis/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_geometry_angle-axis/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_geometry_angle-axis/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_geometry_angle-axis/topol -maxwarn 10 -n /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_geometry_angle-axis/index >grompp.out 2>grompp.err 1052s gmx_d check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_geometry_angle-axis/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1052s gmx_d mdrun -notunepme >mdrun.out 2>&1 1052s gmx_d check -e /tmp/autopkgtest.kXA3iJ/build.uep/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 1052s gmx_d check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_geometry_angle-axis/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1052s PASSED but check mdp file differences 1052s Testing pull_geometry_dihedral . . . gmx_d grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_geometry_dihedral/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_geometry_dihedral/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_geometry_dihedral/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_geometry_dihedral/topol -maxwarn 10 -n /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_geometry_dihedral/index >grompp.out 2>grompp.err 1052s gmx_d check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_geometry_dihedral/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1052s gmx_d mdrun -notunepme >mdrun.out 2>&1 1053s gmx_d check -e /tmp/autopkgtest.kXA3iJ/build.uep/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 1053s gmx_d check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_geometry_dihedral/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1053s PASSED but check mdp file differences 1053s Testing reb . . . gmx_d grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/reb/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/reb/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/reb/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/reb/topol -maxwarn 10 >grompp.out 2>grompp.err 1053s gmx_d check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/reb/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1053s gmx_d mdrun -nb cpu -notunepme >mdrun.out 2>&1 1053s gmx_d check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/reb/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1053s gmx_d check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/reb/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1053s PASSED but check mdp file differences 1053s Testing sw . . . gmx_d grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/sw/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/sw/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/sw/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/sw/topol -maxwarn 10 >grompp.out 2>grompp.err 1053s gmx_d check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/sw/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1053s gmx_d mdrun -ntmpi 1 -notunepme >mdrun.out 2>&1 1053s gmx_d check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/sw/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1053s gmx_d check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/sw/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1053s PASSED but check mdp file differences 1053s Testing swap_x . . . gmx_d grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_x/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_x/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_x/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_x/topol -maxwarn 10 -n /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_x/index >grompp.out 2>grompp.err 1053s gmx_d check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_x/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1053s gmx_d mdrun -notunepme >mdrun.out 2>&1 1054s gmx_d check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_x/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1054s gmx_d check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_x/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1054s PASSED but check mdp file differences 1054s Testing swap_y . . . gmx_d grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_y/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_y/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_y/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_y/topol -maxwarn 10 -n /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_y/index >grompp.out 2>grompp.err 1054s gmx_d check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_y/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1054s gmx_d mdrun -notunepme >mdrun.out 2>&1 1054s gmx_d check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_y/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1054s gmx_d check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_y/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1054s PASSED but check mdp file differences 1054s Testing swap_z . . . gmx_d grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_z/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_z/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_z/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_z/topol -maxwarn 10 -n /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_z/index >grompp.out 2>grompp.err 1055s gmx_d check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_z/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1055s gmx_d mdrun -notunepme >mdrun.out 2>&1 1055s gmx_d check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_z/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1055s gmx_d check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_z/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1055s PASSED but check mdp file differences 1055s Testing tip4p . . . gmx_d grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/tip4p/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/tip4p/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/tip4p/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/tip4p/topol -maxwarn 10 >grompp.out 2>grompp.err 1055s gmx_d check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/tip4p/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1055s gmx_d mdrun -notunepme >mdrun.out 2>&1 1056s gmx_d check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/tip4p/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1056s gmx_d check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/tip4p/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1056s PASSED but check mdp file differences 1056s Testing tip4p_continue . . . gmx_d grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/tip4p_continue/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/tip4p_continue/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/tip4p_continue/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/tip4p_continue/topol -maxwarn 10 >grompp.out 2>grompp.err 1056s gmx_d check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/tip4p_continue/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1056s gmx_d mdrun -notunepme -cpi /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/tip4p_continue/continue -noappend >mdrun.out 2>&1 1056s gmx_d check -e /tmp/autopkgtest.kXA3iJ/build.uep/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 1056s gmx_d check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/tip4p_continue/reference_d.trr -f2 traj.part0002.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1056s PASSED but check mdp file differences 1056s Testing tip4pflex . . . gmx_d grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/tip4pflex/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/tip4pflex/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/tip4pflex/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/tip4pflex/topol -maxwarn 10 >grompp.out 2>grompp.err 1056s gmx_d check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/tip4pflex/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1056s gmx_d mdrun -notunepme >mdrun.out 2>&1 1056s gmx_d check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/tip4pflex/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1056s gmx_d check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/tip4pflex/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1056s PASSED but check mdp file differences 1056s Testing urea . . . gmx_d grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/urea/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/urea/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/urea/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/urea/topol -maxwarn 10 >grompp.out 2>grompp.err 1056s gmx_d check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/urea/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1056s gmx_d mdrun -notunepme >mdrun.out 2>&1 1056s gmx_d check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/urea/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1056s gmx_d check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/urea/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1056s PASSED but check mdp file differences 1056s Testing walls . . . gmx_d grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/walls/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/walls/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/walls/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/walls/topol -maxwarn 10 >grompp.out 2>grompp.err 1057s gmx_d check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/walls/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1057s gmx_d mdrun -notunepme >mdrun.out 2>&1 1057s gmx_d check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/walls/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1057s gmx_d check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/walls/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1057s PASSED but check mdp file differences 1057s All 48 complex tests PASSED 1057s All 0 extra tests PASSED 1057s Testing linfix . . . 1057s gmx_d grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/linfix/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/linfix/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/linfix/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/linfix/topol -maxwarn 2 >grompp.out 2>grompp.err 1057s echo 0 | gmx_d make_edi -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/linfix/eigenvec.trr -outfrq 1 -linfix 1 -linstep 0.0013 -o sam.edi 1>make_edi.out 2>make_edi.err 1057s gmx_d mdrun -ei sam.edi -eo linfix.xvg >mdrun.out 2>&1 1057s Comparing column #0 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 0 1057s Comparing column #1 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 0.05 1057s Comparing column #2 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 1e-06 1057s Testing linacc . . . 1057s gmx_d grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/linacc/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/linacc/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/linacc/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/linacc/topol -maxwarn 2 >grompp.out 2>grompp.err 1057s echo 0 | gmx_d make_edi -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/linacc/eigenvec.trr -outfrq 2 -linacc 1 -accdir +1 -o sam.edi 1>make_edi.out 2>make_edi.err 1057s gmx_d mdrun -ei sam.edi -eo linacc.xvg >mdrun.out 2>&1 1057s Comparing column #0 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0 1057s Comparing column #1 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0.005 1057s Comparing column #2 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0.001 1057s Checking monotonicity for column 2 of file linacc.xvg ... values of column 2 are increasing monotonically. 1057s Testing radfix . . . 1057s gmx_d grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/radfix/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/radfix/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/radfix/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/radfix/topol -maxwarn 2 >grompp.out 2>grompp.err 1057s echo 0 | gmx_d make_edi -f /tmp/autopkgtest.kXA3iJ/build.uep/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 1057s gmx_d mdrun -ei sam.edi -eo radfix.xvg >mdrun.out 2>&1 1057s Comparing column #0 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0 1057s Comparing column #1 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0.05 1057s Comparing column #4 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0 1057s Checking radius for file radfix.xvg ... all values within tolerance of 1e-05 1057s Testing radacc . . . 1057s gmx_d grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/radacc/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/radacc/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/radacc/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/radacc/topol -maxwarn 2 >grompp.out 2>grompp.err 1057s echo 0 | gmx_d make_edi -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/radacc/eigenvec.trr -outfrq 3 -radacc 1-2 -o sam.edi 1>make_edi.out 2>make_edi.err 1057s gmx_d mdrun -ei sam.edi -eo radacc.xvg >mdrun.out 2>&1 1057s Comparing column #0 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/radacc/edsam_reference.xvg and radacc.xvg ... all within tolerance of 0 1057s Comparing column #1 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/radacc/edsam_reference.xvg and radacc.xvg ... all within tolerance of 0.05 1057s Checking radius for file radacc.xvg ... all values within tolerance of 1e-05 1057s Checking monotonicity for column 4 of file radacc.xvg ... values of column 4 are increasing monotonically. 1057s Testing radcon . . . 1057s gmx_d grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/radcon/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/radcon/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/radcon/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/radcon/topol -maxwarn 2 >grompp.out 2>grompp.err 1057s echo 0 0 | gmx_d make_edi -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/radcon/eigenvec.trr -outfrq 1 -radcon 1-2 -tar /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/radcon/target.pdb -o sam.edi 1>make_edi.out 2>make_edi.err 1057s gmx_d mdrun -ei sam.edi -eo radcon.xvg >mdrun.out 2>&1 1057s Comparing column #0 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/radcon/edsam_reference.xvg and radcon.xvg ... all within tolerance of 0 1057s Comparing column #1 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/radcon/edsam_reference.xvg and radcon.xvg ... all within tolerance of 0.05 1057s Checking radius for file radcon.xvg ... all values within tolerance of 1e-05 1057s Checking monotonicity for column 4 of file radcon.xvg ... values of column 4 are decreasing monotonically. 1057s Testing flooding1 . . . 1057s gmx_d grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding1/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding1/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding1/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding1/topol -maxwarn 2 >grompp.out 2>grompp.err 1057s gmx_d mdrun -ei /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding1/sam.edi -eo flooding1.xvg >mdrun.out 2>&1 1057s Comparing column #0 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 0 1057s Comparing column #1 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 1057s Comparing column #2 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 1057s Comparing column #3 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 1057s Comparing column #4 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 1057s Comparing column #5 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 1057s Comparing column #6 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 1057s Comparing column #7 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 1057s Testing flooding2 . . . 1057s gmx_d grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding2/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding2/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding2/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding2/topol -maxwarn 2 >grompp.out 2>grompp.err 1058s gmx_d mdrun -ei /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding2/sam.edi -eo flooding2.xvg >mdrun.out 2>&1 1058s Comparing column #0 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0 1058s Comparing column #1 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.05 1058s Comparing column #2 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.025 1058s Comparing column #3 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 250 1058s Comparing column #4 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 1000 1058s Comparing column #5 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.025 1058s Comparing column #6 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 250 1058s Comparing column #7 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 1000 1058s All 7 essential dynamics tests PASSED 1058s ============================================================= 1058s Starting regression tests: MPI build, single precision (only) 1058s ============================================================= 1058s Will test on 4 MPI ranks (if possible) 1059s Testing acetonitrilRF . . . gmx_mpi grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/acetonitrilRF/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/acetonitrilRF/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/acetonitrilRF/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/acetonitrilRF/topol -maxwarn 10 >grompp.out 2>grompp.err 1059s gmx_mpi check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/acetonitrilRF/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1059s mpirun -np 4 -wdir /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/acetonitrilRF gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1 1059s gmx_mpi check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/acetonitrilRF/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1059s gmx_mpi check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/acetonitrilRF/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1059s PASSED but check mdp file differences 1059s Testing aminoacids . . . gmx_mpi grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/aminoacids/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/aminoacids/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/aminoacids/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/aminoacids/topol -maxwarn 10 >grompp.out 2>grompp.err 1060s gmx_mpi check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/aminoacids/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1060s mpirun -np 4 -wdir /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/aminoacids gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1061s gmx_mpi check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/aminoacids/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1061s gmx_mpi check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/aminoacids/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1061s PASSED but check mdp file differences 1061s Testing argon . . . gmx_mpi grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/argon/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/argon/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/argon/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/argon/topol -maxwarn 10 >grompp.out 2>grompp.err 1061s gmx_mpi check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/argon/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1061s mpirun -np 4 -wdir /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/argon gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1 1061s gmx_mpi check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/argon/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1061s gmx_mpi check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/argon/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1061s PASSED but check mdp file differences 1061s Testing awh_multibias . . . gmx_mpi grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/awh_multibias/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/awh_multibias/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/awh_multibias/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/awh_multibias/topol -maxwarn 10 -n /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/awh_multibias/index >grompp.out 2>grompp.err 1061s gmx_mpi check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/awh_multibias/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1061s mpirun -np 4 -wdir /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/awh_multibias gmx_mpi mdrun -notunepme -cpi /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/awh_multibias/continue -noappend >mdrun.out 2>&1 1062s gmx_mpi check -e /tmp/autopkgtest.kXA3iJ/build.uep/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 1062s gmx_mpi check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/awh_multibias/reference_s.trr -f2 traj.part0002.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1062s PASSED but check mdp file differences 1062s Testing awh_multidim . . . gmx_mpi grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/awh_multidim/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/awh_multidim/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/awh_multidim/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/awh_multidim/topol -maxwarn 10 -n /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/awh_multidim/index >grompp.out 2>grompp.err 1062s gmx_mpi check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/awh_multidim/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1062s mpirun -np 4 -wdir /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/awh_multidim gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1062s gmx_mpi check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/awh_multidim/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1062s gmx_mpi check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/awh_multidim/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1062s PASSED but check mdp file differences 1062s Testing butane . . . gmx_mpi grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/butane/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/butane/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/butane/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/butane/topol -maxwarn 10 >grompp.out 2>grompp.err 1062s gmx_mpi check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/butane/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1063s mpirun -np 4 -wdir /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/butane gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1063s gmx_mpi check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/butane/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1063s gmx_mpi check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/butane/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1063s PASSED but check mdp file differences 1063s Testing cbt . . . gmx_mpi grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/cbt/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/cbt/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/cbt/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/cbt/topol -maxwarn 10 >grompp.out 2>grompp.err 1063s gmx_mpi check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/cbt/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1063s mpirun -np 4 -wdir /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/cbt gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1 1063s gmx_mpi check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/cbt/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1063s gmx_mpi check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/cbt/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1063s PASSED but check mdp file differences 1063s Testing dd121 . . . gmx_mpi grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/dd121/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/dd121/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/dd121/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/dd121/topol -maxwarn 10 >grompp.out 2>grompp.err 1064s gmx_mpi check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/dd121/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1064s mpirun -np 4 -wdir /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/dd121 gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1111s gmx_mpi check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/dd121/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1111s gmx_mpi check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/dd121/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1111s PASSED but check mdp file differences 1111s Testing dec+water . . . gmx_mpi grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/dec+water/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/dec+water/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/dec+water/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/dec+water/topol -maxwarn 10 >grompp.out 2>grompp.err 1111s gmx_mpi check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/dec+water/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1111s mpirun -np 4 -wdir /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/dec+water gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1 1111s gmx_mpi check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/dec+water/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1111s gmx_mpi check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/dec+water/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1111s PASSED but check mdp file differences 1111s Testing distance_restraints . . . gmx_mpi grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/distance_restraints/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/distance_restraints/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/distance_restraints/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/distance_restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 1112s gmx_mpi check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/distance_restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1112s mpirun -np 1 -wdir /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/distance_restraints gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1112s gmx_mpi check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/distance_restraints/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1112s gmx_mpi check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/distance_restraints/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1112s PASSED but check mdp file differences 1112s Testing ethyleenglycol . . . gmx_mpi grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/ethyleenglycol/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/ethyleenglycol/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/ethyleenglycol/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/ethyleenglycol/topol -maxwarn 10 >grompp.out 2>grompp.err 1112s gmx_mpi check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/ethyleenglycol/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1112s mpirun -np 4 -wdir /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/ethyleenglycol gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1112s gmx_mpi check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/ethyleenglycol/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1113s gmx_mpi check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/ethyleenglycol/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1113s PASSED but check mdp file differences 1113s Testing field . . . gmx_mpi grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/field/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/field/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/field/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/field/topol -maxwarn 10 >grompp.out 2>grompp.err 1113s gmx_mpi check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/field/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1113s mpirun -np 4 -wdir /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/field gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1113s gmx_mpi check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/field/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1113s gmx_mpi check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/field/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1113s PASSED but check mdp file differences 1113s Testing nacl . . . gmx_mpi grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nacl/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nacl/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nacl/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nacl/topol -maxwarn 10 >grompp.out 2>grompp.err 1114s gmx_mpi check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nacl/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1114s mpirun -np 4 -wdir /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nacl gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1161s gmx_mpi check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nacl/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1161s gmx_mpi check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nacl/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1161s PASSED but check mdp file differences 1161s Testing nbnxn-energy-groups . . . gmx_mpi grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-energy-groups/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-energy-groups/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-energy-groups/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-energy-groups/topol -maxwarn 10 >grompp.out 2>grompp.err 1161s gmx_mpi check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-energy-groups/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1162s mpirun -np 4 -wdir /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-energy-groups gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1 1199s gmx_mpi check -e /tmp/autopkgtest.kXA3iJ/build.uep/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 1199s gmx_mpi check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-energy-groups/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1199s PASSED but check mdp file differences 1199s Testing nbnxn-free-energy . . . gmx_mpi grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-free-energy/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-free-energy/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-free-energy/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-free-energy/topol -maxwarn 10 >grompp.out 2>grompp.err 1199s gmx_mpi check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-free-energy/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1199s mpirun -np 4 -wdir /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-free-energy gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1233s gmx_mpi check -e /tmp/autopkgtest.kXA3iJ/build.uep/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 1234s gmx_mpi check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-free-energy/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1234s PASSED but check mdp file differences 1234s Testing nbnxn-free-energy-vv . . . gmx_mpi grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-free-energy-vv/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-free-energy-vv/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-free-energy-vv/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-free-energy-vv/topol -maxwarn 10 >grompp.out 2>grompp.err 1234s gmx_mpi check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-free-energy-vv/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1234s mpirun -np 4 -wdir /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-free-energy-vv gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1268s gmx_mpi check -e /tmp/autopkgtest.kXA3iJ/build.uep/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 1268s gmx_mpi check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-free-energy-vv/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1269s PASSED but check mdp file differences 1269s Testing nbnxn-ljpme-geometric . . . gmx_mpi grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-ljpme-geometric/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-ljpme-geometric/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-ljpme-geometric/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-ljpme-geometric/topol -maxwarn 10 >grompp.out 2>grompp.err 1269s gmx_mpi check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-ljpme-geometric/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1269s mpirun -np 4 -wdir /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-ljpme-geometric gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1297s gmx_mpi check -e /tmp/autopkgtest.kXA3iJ/build.uep/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 1297s gmx_mpi check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-ljpme-geometric/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1297s PASSED but check mdp file differences 1297s Testing nbnxn-ljpme-LB . . . gmx_mpi grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-ljpme-LB/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-ljpme-LB/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-ljpme-LB/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-ljpme-LB/topol -maxwarn 10 >grompp.out 2>grompp.err 1297s gmx_mpi check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-ljpme-LB/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1297s mpirun -np 4 -wdir /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-ljpme-LB gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1426s gmx_mpi check -e /tmp/autopkgtest.kXA3iJ/build.uep/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 1427s gmx_mpi check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-ljpme-LB/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1427s PASSED but check mdp file differences 1427s Testing nbnxn-ljpme-LB-geometric . . . gmx_mpi grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/topol -maxwarn 10 >grompp.out 2>grompp.err 1427s gmx_mpi check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1427s mpirun -np 4 -wdir /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-ljpme-LB-geometric gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1556s gmx_mpi check -e /tmp/autopkgtest.kXA3iJ/build.uep/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 1556s gmx_mpi check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1556s PASSED but check mdp file differences 1556s Testing nbnxn-vdw-force-switch . . . gmx_mpi grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-vdw-force-switch/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-vdw-force-switch/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-vdw-force-switch/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-vdw-force-switch/topol -maxwarn 10 >grompp.out 2>grompp.err 1556s gmx_mpi check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-vdw-force-switch/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1556s mpirun -np 4 -wdir /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-vdw-force-switch gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1593s gmx_mpi check -e /tmp/autopkgtest.kXA3iJ/build.uep/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 1593s gmx_mpi check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-vdw-force-switch/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1593s PASSED but check mdp file differences 1593s Testing nbnxn-vdw-potential-switch . . . gmx_mpi grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-vdw-potential-switch/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-vdw-potential-switch/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-vdw-potential-switch/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-vdw-potential-switch/topol -maxwarn 10 >grompp.out 2>grompp.err 1593s gmx_mpi check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-vdw-potential-switch/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1594s mpirun -np 4 -wdir /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-vdw-potential-switch gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1631s gmx_mpi check -e /tmp/autopkgtest.kXA3iJ/build.uep/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 1631s gmx_mpi check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-vdw-potential-switch/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1631s PASSED but check mdp file differences 1631s Testing nbnxn-vdw-potential-switch-argon . . . gmx_mpi grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/topol -maxwarn 10 >grompp.out 2>grompp.err 1631s gmx_mpi check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/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 1631s mpirun -np 4 -wdir /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1631s gmx_mpi check -e /tmp/autopkgtest.kXA3iJ/build.uep/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 1632s gmx_mpi check -f /tmp/autopkgtest.kXA3iJ/build.uep/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 1632s PASSED but check mdp file differences 1632s Testing nbnxn_pme . . . gmx_mpi grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_pme/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_pme/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_pme/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_pme/topol -maxwarn 10 >grompp.out 2>grompp.err 1632s gmx_mpi check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_pme/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1632s mpirun -np 4 -wdir /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_pme gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1669s gmx_mpi check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_pme/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1669s gmx_mpi check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_pme/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1669s PASSED but check mdp file differences 1669s Testing nbnxn_pme_order5 . . . gmx_mpi grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_pme_order5/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_pme_order5/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_pme_order5/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_pme_order5/topol -maxwarn 10 >grompp.out 2>grompp.err 1669s gmx_mpi check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_pme_order5/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1669s mpirun -np 4 -wdir /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_pme_order5 gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1706s gmx_mpi check -e /tmp/autopkgtest.kXA3iJ/build.uep/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 1706s gmx_mpi check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_pme_order5/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1706s PASSED but check mdp file differences 1706s Testing nbnxn_pme_order6 . . . gmx_mpi grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_pme_order6/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_pme_order6/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_pme_order6/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_pme_order6/topol -maxwarn 10 >grompp.out 2>grompp.err 1706s gmx_mpi check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_pme_order6/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1706s mpirun -np 4 -wdir /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_pme_order6 gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1744s gmx_mpi check -e /tmp/autopkgtest.kXA3iJ/build.uep/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 1744s gmx_mpi check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_pme_order6/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1744s PASSED but check mdp file differences 1744s Testing nbnxn_rf . . . gmx_mpi grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_rf/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_rf/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_rf/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_rf/topol -maxwarn 10 >grompp.out 2>grompp.err 1744s gmx_mpi check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_rf/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1744s mpirun -np 4 -wdir /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_rf gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1744s gmx_mpi check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_rf/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1744s gmx_mpi check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_rf/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1744s PASSED but check mdp file differences 1744s Testing nbnxn_rzero . . . gmx_mpi grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_rzero/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_rzero/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_rzero/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_rzero/topol -maxwarn 10 >grompp.out 2>grompp.err 1744s gmx_mpi check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_rzero/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1744s mpirun -np 4 -wdir /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_rzero gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1745s gmx_mpi check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_rzero/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1745s gmx_mpi check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_rzero/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1745s PASSED but check mdp file differences 1745s Testing nbnxn_vsite . . . gmx_mpi grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_vsite/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_vsite/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_vsite/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_vsite/topol -maxwarn 10 >grompp.out 2>grompp.err 1745s gmx_mpi check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_vsite/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1745s mpirun -np 4 -wdir /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_vsite gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1792s gmx_mpi check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_vsite/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1792s gmx_mpi check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nbnxn_vsite/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1792s PASSED but check mdp file differences 1792s Testing nst_mismatch . . . gmx_mpi grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nst_mismatch/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nst_mismatch/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nst_mismatch/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nst_mismatch/topol -maxwarn 10 >grompp.out 2>grompp.err 1792s gmx_mpi check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nst_mismatch/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1793s mpirun -np 4 -wdir /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nst_mismatch gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1795s gmx_mpi check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nst_mismatch/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1795s gmx_mpi check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/nst_mismatch/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1795s PASSED but check mdp file differences 1795s Testing octahedron . . . gmx_mpi grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/octahedron/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/octahedron/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/octahedron/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/octahedron/topol -maxwarn 10 >grompp.out 2>grompp.err 1795s gmx_mpi check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/octahedron/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1795s mpirun -np 4 -wdir /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/octahedron gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1864s gmx_mpi check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/octahedron/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1864s gmx_mpi check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/octahedron/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1864s PASSED but check mdp file differences 1864s Testing orientation-restraints . . . gmx_mpi grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/orientation-restraints/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/orientation-restraints/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/orientation-restraints/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/orientation-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 1864s gmx_mpi check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/orientation-restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1864s mpirun -np 1 -wdir /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/orientation-restraints gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1933s gmx_mpi check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/orientation-restraints/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1933s gmx_mpi check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/orientation-restraints/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1933s PASSED but check mdp file differences 1933s Testing position-restraints . . . gmx_mpi grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/position-restraints/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/position-restraints/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/position-restraints/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/position-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 1934s gmx_mpi check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/position-restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1934s mpirun -np 4 -wdir /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/position-restraints gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1934s gmx_mpi check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/position-restraints/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1934s gmx_mpi check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/position-restraints/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1934s PASSED but check mdp file differences 1934s Testing pr-vrescale . . . gmx_mpi grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pr-vrescale/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pr-vrescale/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pr-vrescale/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pr-vrescale/topol -maxwarn 10 >grompp.out 2>grompp.err 1934s gmx_mpi check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pr-vrescale/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1934s mpirun -np 4 -wdir /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pr-vrescale gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1972s gmx_mpi check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pr-vrescale/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1972s gmx_mpi check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pr-vrescale/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1972s PASSED but check mdp file differences 1972s Testing pull_constraint . . . gmx_mpi grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_constraint/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_constraint/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_constraint/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_constraint/topol -maxwarn 10 -n /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_constraint/index >grompp.out 2>grompp.err 1972s gmx_mpi check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_constraint/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1972s mpirun -np 4 -wdir /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_constraint gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1972s gmx_mpi check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_constraint/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1972s gmx_mpi check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_constraint/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1972s PASSED but check mdp file differences 1972s Testing pull_cylinder . . . gmx_mpi grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_cylinder/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_cylinder/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_cylinder/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_cylinder/topol -maxwarn 10 -n /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_cylinder/index >grompp.out 2>grompp.err 1973s gmx_mpi check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_cylinder/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1973s mpirun -np 4 -wdir /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_cylinder gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1973s gmx_mpi check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_cylinder/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1973s gmx_mpi check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_cylinder/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1973s PASSED but check mdp file differences 1973s Testing pull_geometry_angle . . . gmx_mpi grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_geometry_angle/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_geometry_angle/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_geometry_angle/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_geometry_angle/topol -maxwarn 10 -n /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_geometry_angle/index >grompp.out 2>grompp.err 1973s gmx_mpi check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_geometry_angle/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1973s mpirun -np 4 -wdir /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_geometry_angle gmx_mpi mdrun -notunepme >mdrun.out 2>&1 2020s gmx_mpi check -e /tmp/autopkgtest.kXA3iJ/build.uep/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 2020s gmx_mpi check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_geometry_angle/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 2020s PASSED but check mdp file differences 2020s Testing pull_geometry_angle-axis . . . gmx_mpi grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_geometry_angle-axis/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_geometry_angle-axis/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_geometry_angle-axis/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_geometry_angle-axis/topol -maxwarn 10 -n /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_geometry_angle-axis/index >grompp.out 2>grompp.err 2021s gmx_mpi check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_geometry_angle-axis/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 2021s mpirun -np 4 -wdir /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_geometry_angle-axis gmx_mpi mdrun -notunepme >mdrun.out 2>&1 2068s gmx_mpi check -e /tmp/autopkgtest.kXA3iJ/build.uep/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 2068s gmx_mpi check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_geometry_angle-axis/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 2068s PASSED but check mdp file differences 2068s Testing pull_geometry_dihedral . . . gmx_mpi grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_geometry_dihedral/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_geometry_dihedral/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_geometry_dihedral/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_geometry_dihedral/topol -maxwarn 10 -n /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_geometry_dihedral/index >grompp.out 2>grompp.err 2068s gmx_mpi check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_geometry_dihedral/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 2068s mpirun -np 4 -wdir /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_geometry_dihedral gmx_mpi mdrun -notunepme >mdrun.out 2>&1 2115s gmx_mpi check -e /tmp/autopkgtest.kXA3iJ/build.uep/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 2115s gmx_mpi check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/pull_geometry_dihedral/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 2116s PASSED but check mdp file differences 2116s Testing reb . . . gmx_mpi grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/reb/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/reb/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/reb/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/reb/topol -maxwarn 10 >grompp.out 2>grompp.err 2116s gmx_mpi check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/reb/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 2116s mpirun -np 4 -wdir /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/reb gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1 2116s gmx_mpi check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/reb/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 2116s gmx_mpi check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/reb/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 2116s PASSED but check mdp file differences 2116s Testing sw . . . gmx_mpi grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/sw/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/sw/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/sw/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/sw/topol -maxwarn 10 >grompp.out 2>grompp.err 2116s gmx_mpi check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/sw/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 2116s mpirun -np 1 -wdir /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/sw gmx_mpi mdrun -notunepme >mdrun.out 2>&1 2129s gmx_mpi check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/sw/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 2129s gmx_mpi check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/sw/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 2129s PASSED but check mdp file differences 2129s Testing swap_x . . . gmx_mpi grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_x/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_x/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_x/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_x/topol -maxwarn 10 -n /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_x/index >grompp.out 2>grompp.err 2129s gmx_mpi check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_x/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 2129s mpirun -np 4 -wdir /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_x gmx_mpi mdrun -notunepme >mdrun.out 2>&1 2215s gmx_mpi check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_x/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 2215s gmx_mpi check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_x/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 2215s PASSED but check mdp file differences 2215s Testing swap_y . . . gmx_mpi grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_y/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_y/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_y/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_y/topol -maxwarn 10 -n /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_y/index >grompp.out 2>grompp.err 2216s gmx_mpi check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_y/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 2216s mpirun -np 4 -wdir /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_y gmx_mpi mdrun -notunepme >mdrun.out 2>&1 2301s gmx_mpi check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_y/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 2302s gmx_mpi check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_y/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 2302s PASSED but check mdp file differences 2302s Testing swap_z . . . gmx_mpi grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_z/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_z/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_z/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_z/topol -maxwarn 10 -n /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_z/index >grompp.out 2>grompp.err 2302s gmx_mpi check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_z/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 2302s mpirun -np 4 -wdir /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_z gmx_mpi mdrun -notunepme >mdrun.out 2>&1 2402s gmx_mpi check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_z/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 2402s gmx_mpi check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/swap_z/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 2402s PASSED but check mdp file differences 2402s Testing tip4p . . . gmx_mpi grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/tip4p/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/tip4p/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/tip4p/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/tip4p/topol -maxwarn 10 >grompp.out 2>grompp.err 2402s gmx_mpi check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/tip4p/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 2402s mpirun -np 4 -wdir /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/tip4p gmx_mpi mdrun -notunepme >mdrun.out 2>&1 2405s gmx_mpi check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/tip4p/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 2405s gmx_mpi check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/tip4p/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 2405s PASSED but check mdp file differences 2406s Testing tip4p_continue . . . gmx_mpi grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/tip4p_continue/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/tip4p_continue/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/tip4p_continue/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/tip4p_continue/topol -maxwarn 10 >grompp.out 2>grompp.err 2406s gmx_mpi check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/tip4p_continue/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 2406s mpirun -np 4 -wdir /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/tip4p_continue gmx_mpi mdrun -notunepme -cpi /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/tip4p_continue/continue -noappend >mdrun.out 2>&1 2408s gmx_mpi check -e /tmp/autopkgtest.kXA3iJ/build.uep/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 2408s gmx_mpi check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/tip4p_continue/reference_s.trr -f2 traj.part0002.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 2408s PASSED but check mdp file differences 2408s Testing tip4pflex . . . gmx_mpi grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/tip4pflex/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/tip4pflex/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/tip4pflex/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/tip4pflex/topol -maxwarn 10 >grompp.out 2>grompp.err 2408s gmx_mpi check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/tip4pflex/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 2408s mpirun -np 4 -wdir /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/tip4pflex gmx_mpi mdrun -notunepme >mdrun.out 2>&1 2439s gmx_mpi check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/tip4pflex/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 2440s gmx_mpi check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/tip4pflex/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 2440s PASSED but check mdp file differences 2440s Testing urea . . . gmx_mpi grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/urea/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/urea/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/urea/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/urea/topol -maxwarn 10 >grompp.out 2>grompp.err 2440s gmx_mpi check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/urea/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 2440s mpirun -np 4 -wdir /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/urea gmx_mpi mdrun -notunepme >mdrun.out 2>&1 2440s gmx_mpi check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/urea/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 2440s gmx_mpi check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/urea/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 2440s PASSED but check mdp file differences 2440s Testing walls . . . gmx_mpi grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/walls/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/walls/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/walls/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/walls/topol -maxwarn 10 >grompp.out 2>grompp.err 2441s gmx_mpi check -s1 /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/walls/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 2441s mpirun -np 4 -wdir /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/walls gmx_mpi mdrun -notunepme >mdrun.out 2>&1 2472s gmx_mpi check -e /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/walls/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 2472s gmx_mpi check -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/complex/walls/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 2472s PASSED but check mdp file differences 2472s All 48 complex tests PASSED 2472s All 0 extra tests PASSED 2472s Testing linfix . . . 2472s gmx_mpi grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/linfix/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/linfix/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/linfix/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/linfix/topol -maxwarn 2 >grompp.out 2>grompp.err 2472s echo 0 | gmx_mpi make_edi -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/linfix/eigenvec.trr -outfrq 1 -linfix 1 -linstep 0.0013 -o sam.edi 1>make_edi.out 2>make_edi.err 2472s mpirun -np 4 -wdir /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/linfix gmx_mpi mdrun -ei sam.edi -eo linfix.xvg >mdrun.out 2>&1 2472s Comparing column #0 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 0 2472s Comparing column #1 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 0.05 2472s Comparing column #2 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 1e-06 2472s Testing linacc . . . 2472s gmx_mpi grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/linacc/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/linacc/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/linacc/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/linacc/topol -maxwarn 2 >grompp.out 2>grompp.err 2472s echo 0 | gmx_mpi make_edi -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/linacc/eigenvec.trr -outfrq 2 -linacc 1 -accdir +1 -o sam.edi 1>make_edi.out 2>make_edi.err 2472s mpirun -np 4 -wdir /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/linacc gmx_mpi mdrun -ei sam.edi -eo linacc.xvg >mdrun.out 2>&1 2473s Comparing column #0 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0 2473s Comparing column #1 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0.005 2473s Comparing column #2 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0.001 2473s Checking monotonicity for column 2 of file linacc.xvg ... values of column 2 are increasing monotonically. 2473s Testing radfix . . . 2473s gmx_mpi grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/radfix/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/radfix/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/radfix/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/radfix/topol -maxwarn 2 >grompp.out 2>grompp.err 2473s echo 0 | gmx_mpi make_edi -f /tmp/autopkgtest.kXA3iJ/build.uep/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 2473s mpirun -np 4 -wdir /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/radfix gmx_mpi mdrun -ei sam.edi -eo radfix.xvg >mdrun.out 2>&1 2473s Comparing column #0 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0 2473s Comparing column #1 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0.05 2473s Comparing column #4 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0 2473s Checking radius for file radfix.xvg ... all values within tolerance of 1e-05 2473s Testing radacc . . . 2473s gmx_mpi grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/radacc/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/radacc/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/radacc/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/radacc/topol -maxwarn 2 >grompp.out 2>grompp.err 2473s echo 0 | gmx_mpi make_edi -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/radacc/eigenvec.trr -outfrq 3 -radacc 1-2 -o sam.edi 1>make_edi.out 2>make_edi.err 2473s mpirun -np 4 -wdir /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/radacc gmx_mpi mdrun -ei sam.edi -eo radacc.xvg >mdrun.out 2>&1 2473s Comparing column #0 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/radacc/edsam_reference.xvg and radacc.xvg ... all within tolerance of 0 2473s Comparing column #1 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/radacc/edsam_reference.xvg and radacc.xvg ... all within tolerance of 0.05 2473s Checking radius for file radacc.xvg ... all values within tolerance of 1e-05 2473s Checking monotonicity for column 4 of file radacc.xvg ... values of column 4 are increasing monotonically. 2473s Testing radcon . . . 2473s gmx_mpi grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/radcon/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/radcon/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/radcon/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/radcon/topol -maxwarn 2 >grompp.out 2>grompp.err 2473s echo 0 0 | gmx_mpi make_edi -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/radcon/eigenvec.trr -outfrq 1 -radcon 1-2 -tar /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/radcon/target.pdb -o sam.edi 1>make_edi.out 2>make_edi.err 2473s mpirun -np 4 -wdir /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/radcon gmx_mpi mdrun -ei sam.edi -eo radcon.xvg >mdrun.out 2>&1 2474s Comparing column #0 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/radcon/edsam_reference.xvg and radcon.xvg ... all within tolerance of 0 2474s Comparing column #1 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/radcon/edsam_reference.xvg and radcon.xvg ... all within tolerance of 0.05 2474s Checking radius for file radcon.xvg ... all values within tolerance of 1e-05 2474s Checking monotonicity for column 4 of file radcon.xvg ... values of column 4 are decreasing monotonically. 2474s Testing flooding1 . . . 2474s gmx_mpi grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding1/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding1/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding1/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding1/topol -maxwarn 2 >grompp.out 2>grompp.err 2474s mpirun -np 4 -wdir /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding1 gmx_mpi mdrun -ei /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding1/sam.edi -eo flooding1.xvg >mdrun.out 2>&1 2494s Comparing column #0 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 0 2494s Comparing column #1 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 2494s Comparing column #2 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 2494s Comparing column #3 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 2494s Comparing column #4 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 2494s Comparing column #5 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 2494s Comparing column #6 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 2494s Comparing column #7 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 2494s Testing flooding2 . . . 2494s gmx_mpi grompp -f /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding2/grompp.mdp -c /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding2/conf -r /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding2/conf -p /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding2/topol -maxwarn 2 >grompp.out 2>grompp.err 2494s mpirun -np 4 -wdir /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding2 gmx_mpi mdrun -ei /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding2/sam.edi -eo flooding2.xvg >mdrun.out 2>&1 2514s Comparing column #0 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0 2514s Comparing column #1 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.05 2514s Comparing column #2 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.025 2514s Comparing column #3 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 250 2514s Comparing column #4 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 1000 2514s Comparing column #5 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.025 2514s Comparing column #6 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 250 2514s Comparing column #7 of .xvg files /tmp/autopkgtest.kXA3iJ/build.uep/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 1000 2514s All 7 essential dynamics tests PASSED 2514s Cleaning acetonitrilRF 2514s Cleaning aminoacids 2514s Cleaning argon 2514s Cleaning awh_multibias 2514s Cleaning awh_multidim 2514s Cleaning butane 2514s Cleaning cbt 2514s Cleaning dd121 2514s Cleaning dec+water 2514s Cleaning distance_restraints 2514s Cleaning ethyleenglycol 2514s Cleaning field 2514s Cleaning nacl 2514s Cleaning nbnxn-energy-groups 2514s Cleaning nbnxn-free-energy 2514s Cleaning nbnxn-free-energy-vv 2514s Cleaning nbnxn-ljpme-geometric 2514s Cleaning nbnxn-ljpme-LB 2514s Cleaning nbnxn-ljpme-LB-geometric 2514s Cleaning nbnxn-vdw-force-switch 2514s Cleaning nbnxn-vdw-potential-switch 2514s Cleaning nbnxn-vdw-potential-switch-argon 2514s Cleaning nbnxn_pme 2514s Cleaning nbnxn_pme_order5 2514s Cleaning nbnxn_pme_order6 2514s Cleaning nbnxn_rf 2514s Cleaning nbnxn_rzero 2514s Cleaning nbnxn_vsite 2514s Cleaning nst_mismatch 2514s Cleaning octahedron 2514s Cleaning orientation-restraints 2514s Cleaning position-restraints 2514s Cleaning pr-vrescale 2514s Cleaning pull_constraint 2514s Cleaning pull_cylinder 2514s Cleaning pull_geometry_angle 2514s Cleaning pull_geometry_angle-axis 2514s Cleaning pull_geometry_dihedral 2514s Cleaning reb 2514s Cleaning sw 2514s Cleaning swap_x 2514s Cleaning swap_y 2514s Cleaning swap_z 2514s Cleaning tip4p 2514s Cleaning tip4p_continue 2514s Cleaning tip4pflex 2514s Cleaning urea 2514s Cleaning walls 2514s Cleaning flooding1 2514s Cleaning flooding2 2514s Cleaning linacc 2514s Cleaning linfix 2514s Cleaning radacc 2514s Cleaning radcon 2514s Cleaning radfix 2515s autopkgtest [01:56:04]: test gromacs-regressiontests: -----------------------] 2515s autopkgtest [01:56:04]: test gromacs-regressiontests: - - - - - - - - - - results - - - - - - - - - - 2515s gromacs-regressiontests PASS 2516s autopkgtest [01:56:05]: @@@@@@@@@@@@@@@@@@@@ summary 2516s gromacs-regressiontests PASS 2621s nova [W] Using flock in prodstack6-arm64 2621s Creating nova instance adt-plucky-arm64-gromacs-20250215-232635-juju-7f2275-prod-proposed-migration-environment-20-6399e9a1-630c-40ed-9e34-2fe4cb2bd35f from image adt/ubuntu-plucky-arm64-server-20250215.img (UUID 8f82fa69-4462-4e93-a46b-73be9ea2c381)... 2621s nova [W] Timed out waiting for 2eac6417-98bf-4e92-a1c5-a6ed05003576 to get deleted.