0s autopkgtest [22:32:47]: starting date and time: 2025-05-01 22:32:47+0000 0s autopkgtest [22:32:47]: git checkout: 9986aa8c Merge branch 'skia/fix_network_interface' into 'ubuntu/production' 0s autopkgtest [22:32:47]: host juju-7f2275-prod-proposed-migration-environment-2; command line: /home/ubuntu/autopkgtest/runner/autopkgtest --output-dir /tmp/autopkgtest-work.b_qvtq6y/out --timeout-copy=6000 --setup-commands /home/ubuntu/autopkgtest-cloud/worker-config-production/setup-canonical.sh --apt-pocket=proposed=src:isa-support --apt-upgrade gromacs --timeout-short=300 --timeout-copy=20000 --timeout-build=20000 --env=ADT_TEST_TRIGGERS=isa-support/27 -- ssh -s /home/ubuntu/autopkgtest/ssh-setup/nova -- --flavor autopkgtest-cpu2-ram4-disk20-arm64 --security-groups autopkgtest-juju-7f2275-prod-proposed-migration-environment-2@sto01-arm64-10.secgroup --name adt-questing-arm64-gromacs-20250501-223247-juju-7f2275-prod-proposed-migration-environment-2-b42c1dd1-95d7-4a60-b7e1-2fb45bfc2b95 --image adt/ubuntu-questing-arm64-server --keyname testbed-juju-7f2275-prod-proposed-migration-environment-2 --net-id=net_prod-autopkgtest-workers-arm64 -e TERM=linux --mirror=http://ftpmaster.internal/ubuntu/ 78s autopkgtest [22:34:05]: testbed dpkg architecture: arm64 78s autopkgtest [22:34:05]: testbed apt version: 3.0.0 78s autopkgtest [22:34:05]: @@@@@@@@@@@@@@@@@@@@ test bed setup 78s autopkgtest [22:34:05]: testbed release detected to be: None 79s autopkgtest [22:34:06]: updating testbed package index (apt update) 79s Get:1 http://ftpmaster.internal/ubuntu questing-proposed InRelease [110 kB] 79s Hit:2 http://ftpmaster.internal/ubuntu questing InRelease 79s Hit:3 http://ftpmaster.internal/ubuntu questing-updates InRelease 79s Hit:4 http://ftpmaster.internal/ubuntu questing-security InRelease 79s Get:5 http://ftpmaster.internal/ubuntu questing-proposed/multiverse Sources [57.4 kB] 80s Get:6 http://ftpmaster.internal/ubuntu questing-proposed/universe Sources [2255 kB] 80s Get:7 http://ftpmaster.internal/ubuntu questing-proposed/main Sources [179 kB] 80s Get:8 http://ftpmaster.internal/ubuntu questing-proposed/main arm64 Packages [196 kB] 80s Get:9 http://ftpmaster.internal/ubuntu questing-proposed/universe arm64 Packages [567 kB] 80s Get:10 http://ftpmaster.internal/ubuntu questing-proposed/multiverse arm64 Packages [3024 B] 80s Fetched 3367 kB in 1s (4747 kB/s) 81s Reading package lists... 81s autopkgtest [22:34:08]: upgrading testbed (apt dist-upgrade and autopurge) 81s Reading package lists... 82s Building dependency tree... 82s Reading state information... 82s Calculating upgrade...Starting pkgProblemResolver with broken count: 0 82s Starting 2 pkgProblemResolver with broken count: 0 82s Done 83s Entering ResolveByKeep 83s 83s Calculating upgrade... 84s The following packages will be upgraded: 84s libperl5.40 perl perl-base perl-modules-5.40 84s 4 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. 84s Need to get 10.0 MB of archives. 84s After this operation, 0 B of additional disk space will be used. 84s Get:1 http://ftpmaster.internal/ubuntu questing-proposed/main arm64 libperl5.40 arm64 5.40.1-3 [4780 kB] 84s Get:2 http://ftpmaster.internal/ubuntu questing-proposed/main arm64 perl arm64 5.40.1-3 [262 kB] 84s Get:3 http://ftpmaster.internal/ubuntu questing-proposed/main arm64 perl-base arm64 5.40.1-3 [1786 kB] 84s Get:4 http://ftpmaster.internal/ubuntu questing-proposed/main arm64 perl-modules-5.40 all 5.40.1-3 [3217 kB] 84s Fetched 10.0 MB in 0s (20.3 MB/s) 85s (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 ... 85224 files and directories currently installed.) 85s Preparing to unpack .../libperl5.40_5.40.1-3_arm64.deb ... 85s Unpacking libperl5.40:arm64 (5.40.1-3) over (5.40.1-2ubuntu0.1) ... 85s Preparing to unpack .../perl_5.40.1-3_arm64.deb ... 85s Unpacking perl (5.40.1-3) over (5.40.1-2ubuntu0.1) ... 85s Preparing to unpack .../perl-base_5.40.1-3_arm64.deb ... 85s Unpacking perl-base (5.40.1-3) over (5.40.1-2ubuntu0.1) ... 85s Setting up perl-base (5.40.1-3) ... 85s (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 ... 85224 files and directories currently installed.) 85s Preparing to unpack .../perl-modules-5.40_5.40.1-3_all.deb ... 85s Unpacking perl-modules-5.40 (5.40.1-3) over (5.40.1-2ubuntu0.1) ... 85s Setting up perl-modules-5.40 (5.40.1-3) ... 85s Setting up libperl5.40:arm64 (5.40.1-3) ... 85s Setting up perl (5.40.1-3) ... 85s Processing triggers for man-db (2.13.0-1) ... 86s Processing triggers for libc-bin (2.41-6ubuntu1) ... 86s Reading package lists... 86s Building dependency tree... 86s Reading state information... 87s Starting pkgProblemResolver with broken count: 0 87s Starting 2 pkgProblemResolver with broken count: 0 87s Done 87s Solving dependencies... 87s 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. 90s autopkgtest [22:34:17]: testbed running kernel: Linux 6.14.0-15-generic #15-Ubuntu SMP PREEMPT_DYNAMIC Sun Apr 6 14:37:51 UTC 2025 90s autopkgtest [22:34:17]: @@@@@@@@@@@@@@@@@@@@ apt-source gromacs 95s Get:1 http://ftpmaster.internal/ubuntu questing/universe gromacs 2025.0-2 (dsc) [3276 B] 95s Get:2 http://ftpmaster.internal/ubuntu questing/universe gromacs 2025.0-2 (tar) [32.7 MB] 95s Get:3 http://ftpmaster.internal/ubuntu questing/universe gromacs 2025.0-2 (tar) [44.4 MB] 95s Get:4 http://ftpmaster.internal/ubuntu questing/universe gromacs 2025.0-2 (diff) [37.2 kB] 95s gpgv: Signature made Sat Feb 15 18:26:26 2025 UTC 95s gpgv: using RSA key 843E5FA61E6063389876D2E5EE4AFD69EC65108F 95s gpgv: issuer "nbreen@debian.org" 95s gpgv: Can't check signature: No public key 95s dpkg-source: warning: cannot verify inline signature for ./gromacs_2025.0-2.dsc: no acceptable signature found 97s autopkgtest [22:34:24]: testing package gromacs version 2025.0-2 98s autopkgtest [22:34:25]: build not needed 98s gromacs-regressiontests-flaky SKIP Test lists explicitly supported architectures, but the current architecture arm64 isn't listed. 110s gromacs-regressiontests-flaky SKIP Test lists explicitly supported architectures, but the current architecture arm64 isn't listed. 110s autopkgtest [22:34:37]: test gromacs-regressiontests: preparing testbed 110s Reading package lists... 110s Building dependency tree... 110s Reading state information... 110s Starting pkgProblemResolver with broken count: 0 110s Starting 2 pkgProblemResolver with broken count: 0 110s Done 111s The following NEW packages will be installed: 111s build-essential cpp cpp-14 cpp-14-aarch64-linux-gnu cpp-aarch64-linux-gnu 111s fonts-mathjax g++ g++-14 g++-14-aarch64-linux-gnu g++-aarch64-linux-gnu gcc 111s gcc-14 gcc-14-aarch64-linux-gnu gcc-aarch64-linux-gnu gromacs gromacs-data 111s libamd-comgr2 libamdhip64-5 libasan8 libblas3 libcc1-0 111s libevent-pthreads-2.1-7t64 libfabric1 libfftw3-bin libfftw3-dev 111s libfftw3-double3 libfftw3-long3 libfftw3-single3 libgcc-14-dev libgfortran5 111s libgomp1 libgromacs-dev libgromacs10 libhsa-runtime64-1 libhsakmt1 111s libhwasan0 libhwloc-plugins libhwloc15 libibmad5 libibumad3 libisl23 libitm1 111s libjs-mathjax liblapack3 libllvm17t64 liblsan0 libmpc3 libmunge2 111s libmuparser2v5 libnblib-gmx-dev libnblib-gmx0 libopenmpi40 libpciaccess0 111s libpmix2t64 librdmacm1t64 libstdc++-14-dev libtsan2 libubsan1 libucx0 111s libxnvctrl0 mpi-default-bin ocl-icd-libopencl1 openmpi-bin openmpi-common 111s 0 upgraded, 64 newly installed, 0 to remove and 0 not upgraded. 111s Need to get 207 MB of archives. 111s After this operation, 924 MB of additional disk space will be used. 111s Get:1 http://ftpmaster.internal/ubuntu questing/main arm64 libisl23 arm64 0.27-1 [676 kB] 111s Get:2 http://ftpmaster.internal/ubuntu questing/main arm64 libmpc3 arm64 1.3.1-1build2 [56.8 kB] 111s Get:3 http://ftpmaster.internal/ubuntu questing/main arm64 cpp-14-aarch64-linux-gnu arm64 14.2.0-19ubuntu2 [10.6 MB] 112s Get:4 http://ftpmaster.internal/ubuntu questing/main arm64 cpp-14 arm64 14.2.0-19ubuntu2 [1026 B] 112s Get:5 http://ftpmaster.internal/ubuntu questing/main arm64 cpp-aarch64-linux-gnu arm64 4:14.2.0-1ubuntu1 [5558 B] 112s Get:6 http://ftpmaster.internal/ubuntu questing/main arm64 cpp arm64 4:14.2.0-1ubuntu1 [22.4 kB] 112s Get:7 http://ftpmaster.internal/ubuntu questing/main arm64 libcc1-0 arm64 15-20250404-0ubuntu1 [49.1 kB] 112s Get:8 http://ftpmaster.internal/ubuntu questing/main arm64 libgomp1 arm64 15-20250404-0ubuntu1 [147 kB] 112s Get:9 http://ftpmaster.internal/ubuntu questing/main arm64 libitm1 arm64 15-20250404-0ubuntu1 [27.8 kB] 112s Get:10 http://ftpmaster.internal/ubuntu questing/main arm64 libasan8 arm64 15-20250404-0ubuntu1 [2922 kB] 112s Get:11 http://ftpmaster.internal/ubuntu questing/main arm64 liblsan0 arm64 15-20250404-0ubuntu1 [1318 kB] 112s Get:12 http://ftpmaster.internal/ubuntu questing/main arm64 libtsan2 arm64 15-20250404-0ubuntu1 [2692 kB] 112s Get:13 http://ftpmaster.internal/ubuntu questing/main arm64 libubsan1 arm64 15-20250404-0ubuntu1 [1177 kB] 112s Get:14 http://ftpmaster.internal/ubuntu questing/main arm64 libhwasan0 arm64 15-20250404-0ubuntu1 [1640 kB] 112s Get:15 http://ftpmaster.internal/ubuntu questing/main arm64 libgcc-14-dev arm64 14.2.0-19ubuntu2 [2593 kB] 112s Get:16 http://ftpmaster.internal/ubuntu questing/main arm64 gcc-14-aarch64-linux-gnu arm64 14.2.0-19ubuntu2 [20.9 MB] 112s Get:17 http://ftpmaster.internal/ubuntu questing/main arm64 gcc-14 arm64 14.2.0-19ubuntu2 [529 kB] 112s Get:18 http://ftpmaster.internal/ubuntu questing/main arm64 gcc-aarch64-linux-gnu arm64 4:14.2.0-1ubuntu1 [1200 B] 112s Get:19 http://ftpmaster.internal/ubuntu questing/main arm64 gcc arm64 4:14.2.0-1ubuntu1 [4998 B] 112s Get:20 http://ftpmaster.internal/ubuntu questing/main arm64 libstdc++-14-dev arm64 14.2.0-19ubuntu2 [2501 kB] 112s Get:21 http://ftpmaster.internal/ubuntu questing/main arm64 g++-14-aarch64-linux-gnu arm64 14.2.0-19ubuntu2 [12.1 MB] 113s Get:22 http://ftpmaster.internal/ubuntu questing/main arm64 g++-14 arm64 14.2.0-19ubuntu2 [23.0 kB] 113s Get:23 http://ftpmaster.internal/ubuntu questing/main arm64 g++-aarch64-linux-gnu arm64 4:14.2.0-1ubuntu1 [956 B] 113s Get:24 http://ftpmaster.internal/ubuntu questing/main arm64 g++ arm64 4:14.2.0-1ubuntu1 [1080 B] 113s Get:25 http://ftpmaster.internal/ubuntu questing/main arm64 build-essential arm64 12.12ubuntu1 [5082 B] 113s Get:26 http://ftpmaster.internal/ubuntu questing/main arm64 fonts-mathjax all 2.7.9+dfsg-1 [2208 kB] 113s Get:27 http://ftpmaster.internal/ubuntu questing/universe arm64 libllvm17t64 arm64 1:17.0.6-21 [24.9 MB] 113s Get:28 http://ftpmaster.internal/ubuntu questing/universe arm64 libamd-comgr2 arm64 6.0+git20231212.4510c28+dfsg-3build2 [14.1 MB] 113s Get:29 http://ftpmaster.internal/ubuntu questing/universe arm64 libhsakmt1 arm64 5.7.0-1build1 [63.6 kB] 113s Get:30 http://ftpmaster.internal/ubuntu questing/universe arm64 libhsa-runtime64-1 arm64 5.7.1-2build1 [286 kB] 113s Get:31 http://ftpmaster.internal/ubuntu questing/universe arm64 libamdhip64-5 arm64 5.7.1-5build1 [9707 kB] 114s Get:32 http://ftpmaster.internal/ubuntu questing/main arm64 libblas3 arm64 3.12.1-2 [161 kB] 114s Get:33 http://ftpmaster.internal/ubuntu questing/main arm64 libevent-pthreads-2.1-7t64 arm64 2.1.12-stable-10 [7922 B] 114s Get:34 http://ftpmaster.internal/ubuntu questing/main arm64 librdmacm1t64 arm64 56.0-4ubuntu1 [71.4 kB] 114s Get:35 http://ftpmaster.internal/ubuntu questing/universe arm64 libfabric1 arm64 1.17.0-3.1 [542 kB] 114s Get:36 http://ftpmaster.internal/ubuntu questing/main arm64 libfftw3-double3 arm64 3.3.10-2fakesync1build1 [392 kB] 114s Get:37 http://ftpmaster.internal/ubuntu questing/main arm64 libfftw3-long3 arm64 3.3.10-2fakesync1build1 [653 kB] 114s Get:38 http://ftpmaster.internal/ubuntu questing/main arm64 libfftw3-single3 arm64 3.3.10-2fakesync1build1 [604 kB] 114s Get:39 http://ftpmaster.internal/ubuntu questing/main arm64 libfftw3-bin arm64 3.3.10-2fakesync1build1 [34.1 kB] 114s Get:40 http://ftpmaster.internal/ubuntu questing/main arm64 libfftw3-dev arm64 3.3.10-2fakesync1build1 [1523 kB] 114s Get:41 http://ftpmaster.internal/ubuntu questing/main arm64 libgfortran5 arm64 15-20250404-0ubuntu1 [444 kB] 114s Get:42 http://ftpmaster.internal/ubuntu questing/universe arm64 libhwloc15 arm64 2.12.0-1 [162 kB] 114s Get:43 http://ftpmaster.internal/ubuntu questing/main arm64 liblapack3 arm64 3.12.1-2 [2307 kB] 114s Get:44 http://ftpmaster.internal/ubuntu questing/universe arm64 libmuparser2v5 arm64 2.3.4-1 [125 kB] 114s Get:45 http://ftpmaster.internal/ubuntu questing/universe arm64 libmunge2 arm64 0.5.16-1 [15.2 kB] 114s Get:46 http://ftpmaster.internal/ubuntu questing/main arm64 libpciaccess0 arm64 0.17-3build1 [18.9 kB] 114s Get:47 http://ftpmaster.internal/ubuntu questing/main arm64 libxnvctrl0 arm64 510.47.03-0ubuntu4 [12.4 kB] 114s Get:48 http://ftpmaster.internal/ubuntu questing/universe arm64 ocl-icd-libopencl1 arm64 2.3.2-1build1 [37.6 kB] 114s Get:49 http://ftpmaster.internal/ubuntu questing/universe arm64 libhwloc-plugins arm64 2.12.0-1 [15.9 kB] 114s Get:50 http://ftpmaster.internal/ubuntu questing/universe arm64 libpmix2t64 arm64 5.0.6-5 [666 kB] 114s Get:51 http://ftpmaster.internal/ubuntu questing/main arm64 libibumad3 arm64 56.0-4ubuntu1 [31.3 kB] 114s Get:52 http://ftpmaster.internal/ubuntu questing/main arm64 libibmad5 arm64 56.0-4ubuntu1 [44.1 kB] 114s Get:53 http://ftpmaster.internal/ubuntu questing/universe arm64 libucx0 arm64 1.18.1+ds-2 [1161 kB] 114s Get:54 http://ftpmaster.internal/ubuntu questing/universe arm64 libopenmpi40 arm64 5.0.7-1 [2419 kB] 115s Get:55 http://ftpmaster.internal/ubuntu questing/universe arm64 libgromacs10 arm64 2025.0-2 [34.3 MB] 115s Get:56 http://ftpmaster.internal/ubuntu questing/universe arm64 libnblib-gmx0 arm64 2025.0-2 [320 kB] 115s Get:57 http://ftpmaster.internal/ubuntu questing/universe arm64 libnblib-gmx-dev arm64 2025.0-2 [26.2 kB] 115s Get:58 http://ftpmaster.internal/ubuntu questing/universe arm64 openmpi-common all 5.0.7-1 [97.9 kB] 115s Get:59 http://ftpmaster.internal/ubuntu questing/universe arm64 openmpi-bin arm64 5.0.7-1 [195 kB] 115s Get:60 http://ftpmaster.internal/ubuntu questing/main arm64 libjs-mathjax all 2.7.9+dfsg-1 [5665 kB] 115s Get:61 http://ftpmaster.internal/ubuntu questing/universe arm64 gromacs-data all 2025.0-2 [43.8 MB] 117s Get:62 http://ftpmaster.internal/ubuntu questing/universe arm64 gromacs arm64 2025.0-2 [61.1 kB] 117s Get:63 http://ftpmaster.internal/ubuntu questing/universe arm64 libgromacs-dev arm64 2025.0-2 [170 kB] 117s Get:64 http://ftpmaster.internal/ubuntu questing/universe arm64 mpi-default-bin arm64 1.18 [2510 B] 117s Fetched 207 MB in 5s (38.3 MB/s) 117s Selecting previously unselected package libisl23:arm64. 117s (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 ... 85224 files and directories currently installed.) 117s Preparing to unpack .../00-libisl23_0.27-1_arm64.deb ... 117s Unpacking libisl23:arm64 (0.27-1) ... 117s Selecting previously unselected package libmpc3:arm64. 117s Preparing to unpack .../01-libmpc3_1.3.1-1build2_arm64.deb ... 117s Unpacking libmpc3:arm64 (1.3.1-1build2) ... 117s Selecting previously unselected package cpp-14-aarch64-linux-gnu. 117s Preparing to unpack .../02-cpp-14-aarch64-linux-gnu_14.2.0-19ubuntu2_arm64.deb ... 117s Unpacking cpp-14-aarch64-linux-gnu (14.2.0-19ubuntu2) ... 117s Selecting previously unselected package cpp-14. 117s Preparing to unpack .../03-cpp-14_14.2.0-19ubuntu2_arm64.deb ... 117s Unpacking cpp-14 (14.2.0-19ubuntu2) ... 117s Selecting previously unselected package cpp-aarch64-linux-gnu. 117s Preparing to unpack .../04-cpp-aarch64-linux-gnu_4%3a14.2.0-1ubuntu1_arm64.deb ... 117s Unpacking cpp-aarch64-linux-gnu (4:14.2.0-1ubuntu1) ... 117s Selecting previously unselected package cpp. 117s Preparing to unpack .../05-cpp_4%3a14.2.0-1ubuntu1_arm64.deb ... 117s Unpacking cpp (4:14.2.0-1ubuntu1) ... 117s Selecting previously unselected package libcc1-0:arm64. 117s Preparing to unpack .../06-libcc1-0_15-20250404-0ubuntu1_arm64.deb ... 117s Unpacking libcc1-0:arm64 (15-20250404-0ubuntu1) ... 117s Selecting previously unselected package libgomp1:arm64. 117s Preparing to unpack .../07-libgomp1_15-20250404-0ubuntu1_arm64.deb ... 117s Unpacking libgomp1:arm64 (15-20250404-0ubuntu1) ... 118s Selecting previously unselected package libitm1:arm64. 118s Preparing to unpack .../08-libitm1_15-20250404-0ubuntu1_arm64.deb ... 118s Unpacking libitm1:arm64 (15-20250404-0ubuntu1) ... 118s Selecting previously unselected package libasan8:arm64. 118s Preparing to unpack .../09-libasan8_15-20250404-0ubuntu1_arm64.deb ... 118s Unpacking libasan8:arm64 (15-20250404-0ubuntu1) ... 118s Selecting previously unselected package liblsan0:arm64. 118s Preparing to unpack .../10-liblsan0_15-20250404-0ubuntu1_arm64.deb ... 118s Unpacking liblsan0:arm64 (15-20250404-0ubuntu1) ... 118s Selecting previously unselected package libtsan2:arm64. 118s Preparing to unpack .../11-libtsan2_15-20250404-0ubuntu1_arm64.deb ... 118s Unpacking libtsan2:arm64 (15-20250404-0ubuntu1) ... 118s Selecting previously unselected package libubsan1:arm64. 118s Preparing to unpack .../12-libubsan1_15-20250404-0ubuntu1_arm64.deb ... 118s Unpacking libubsan1:arm64 (15-20250404-0ubuntu1) ... 118s Selecting previously unselected package libhwasan0:arm64. 118s Preparing to unpack .../13-libhwasan0_15-20250404-0ubuntu1_arm64.deb ... 118s Unpacking libhwasan0:arm64 (15-20250404-0ubuntu1) ... 118s Selecting previously unselected package libgcc-14-dev:arm64. 118s Preparing to unpack .../14-libgcc-14-dev_14.2.0-19ubuntu2_arm64.deb ... 118s Unpacking libgcc-14-dev:arm64 (14.2.0-19ubuntu2) ... 118s Selecting previously unselected package gcc-14-aarch64-linux-gnu. 118s Preparing to unpack .../15-gcc-14-aarch64-linux-gnu_14.2.0-19ubuntu2_arm64.deb ... 118s Unpacking gcc-14-aarch64-linux-gnu (14.2.0-19ubuntu2) ... 118s Selecting previously unselected package gcc-14. 118s Preparing to unpack .../16-gcc-14_14.2.0-19ubuntu2_arm64.deb ... 118s Unpacking gcc-14 (14.2.0-19ubuntu2) ... 118s Selecting previously unselected package gcc-aarch64-linux-gnu. 118s Preparing to unpack .../17-gcc-aarch64-linux-gnu_4%3a14.2.0-1ubuntu1_arm64.deb ... 118s Unpacking gcc-aarch64-linux-gnu (4:14.2.0-1ubuntu1) ... 118s Selecting previously unselected package gcc. 118s Preparing to unpack .../18-gcc_4%3a14.2.0-1ubuntu1_arm64.deb ... 118s Unpacking gcc (4:14.2.0-1ubuntu1) ... 118s Selecting previously unselected package libstdc++-14-dev:arm64. 118s Preparing to unpack .../19-libstdc++-14-dev_14.2.0-19ubuntu2_arm64.deb ... 118s Unpacking libstdc++-14-dev:arm64 (14.2.0-19ubuntu2) ... 119s Selecting previously unselected package g++-14-aarch64-linux-gnu. 119s Preparing to unpack .../20-g++-14-aarch64-linux-gnu_14.2.0-19ubuntu2_arm64.deb ... 119s Unpacking g++-14-aarch64-linux-gnu (14.2.0-19ubuntu2) ... 119s Selecting previously unselected package g++-14. 119s Preparing to unpack .../21-g++-14_14.2.0-19ubuntu2_arm64.deb ... 119s Unpacking g++-14 (14.2.0-19ubuntu2) ... 119s Selecting previously unselected package g++-aarch64-linux-gnu. 119s Preparing to unpack .../22-g++-aarch64-linux-gnu_4%3a14.2.0-1ubuntu1_arm64.deb ... 119s Unpacking g++-aarch64-linux-gnu (4:14.2.0-1ubuntu1) ... 119s Selecting previously unselected package g++. 119s Preparing to unpack .../23-g++_4%3a14.2.0-1ubuntu1_arm64.deb ... 119s Unpacking g++ (4:14.2.0-1ubuntu1) ... 119s Selecting previously unselected package build-essential. 119s Preparing to unpack .../24-build-essential_12.12ubuntu1_arm64.deb ... 119s Unpacking build-essential (12.12ubuntu1) ... 119s Selecting previously unselected package fonts-mathjax. 119s Preparing to unpack .../25-fonts-mathjax_2.7.9+dfsg-1_all.deb ... 119s Unpacking fonts-mathjax (2.7.9+dfsg-1) ... 119s Selecting previously unselected package libllvm17t64:arm64. 119s Preparing to unpack .../26-libllvm17t64_1%3a17.0.6-21_arm64.deb ... 119s Unpacking libllvm17t64:arm64 (1:17.0.6-21) ... 120s Selecting previously unselected package libamd-comgr2:arm64. 120s Preparing to unpack .../27-libamd-comgr2_6.0+git20231212.4510c28+dfsg-3build2_arm64.deb ... 120s Unpacking libamd-comgr2:arm64 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up libevent-pthreads-2.1-7t64:arm64 (2.1.12-stable-10) ... 125s Setting up libibumad3:arm64 (56.0-4ubuntu1) ... 125s Setting up libibmad5:arm64 (56.0-4ubuntu1) ... 125s Setting up libgomp1:arm64 (15-20250404-0ubuntu1) ... 125s Setting up libxnvctrl0:arm64 (510.47.03-0ubuntu4) ... 125s Setting up libblas3:arm64 (3.12.1-2) ... 125s 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 125s Setting up libmunge2:arm64 (0.5.16-1) ... 125s Setting up libllvm17t64:arm64 (1:17.0.6-21) ... 125s Setting up libhwloc15:arm64 (2.12.0-1) ... 125s Setting up libmpc3:arm64 (1.3.1-1build2) ... 125s Setting up libfftw3-double3:arm64 (3.3.10-2fakesync1build1) ... 125s Setting up libgfortran5:arm64 (15-20250404-0ubuntu1) ... 125s Setting up libubsan1:arm64 (15-20250404-0ubuntu1) ... 125s Setting up ocl-icd-libopencl1:arm64 (2.3.2-1build1) ... 125s Setting up libhwasan0:arm64 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libfftw3-single3:arm64 (3.3.10-2fakesync1build1) ... 125s Setting up libfftw3-long3:arm64 (3.3.10-2fakesync1build1) ... 125s Setting up libhwloc-plugins:arm64 (2.12.0-1) ... 125s Setting up libpmix2t64:arm64 (5.0.6-5) ... 125s Setting up cpp-14-aarch64-linux-gnu (14.2.0-19ubuntu2) ... 125s Setting up libhsa-runtime64-1 (5.7.1-2build1) ... 125s Setting up libgcc-14-dev:arm64 (14.2.0-19ubuntu2) ... 125s Setting up libstdc++-14-dev:arm64 (14.2.0-19ubuntu2) ... 125s Setting up libfftw3-bin (3.3.10-2fakesync1build1) ... 125s Setting up cpp-aarch64-linux-gnu (4:14.2.0-1ubuntu1) ... 125s Setting up libamdhip64-5 (5.7.1-5build1) ... 125s Setting up cpp-14 (14.2.0-19ubuntu2) ... 125s Setting up cpp (4:14.2.0-1ubuntu1) ... 125s Setting up gcc-14-aarch64-linux-gnu (14.2.0-19ubuntu2) ... 125s Setting up libfftw3-dev:arm64 (3.3.10-2fakesync1build1) ... 125s Setting up gcc-aarch64-linux-gnu (4:14.2.0-1ubuntu1) ... 125s Setting up libucx0:arm64 (1.18.1+ds-2) ... 125s Setting up g++-14-aarch64-linux-gnu (14.2.0-19ubuntu2) ... 125s Setting up gcc-14 (14.2.0-19ubuntu2) ... 125s Setting up g++-aarch64-linux-gnu (4:14.2.0-1ubuntu1) ... 125s Setting up g++-14 (14.2.0-19ubuntu2) ... 125s Setting up libopenmpi40:arm64 (5.0.7-1) ... 125s Setting up gcc (4:14.2.0-1ubuntu1) ... 125s Setting up g++ (4:14.2.0-1ubuntu1) ... 125s update-alternatives: using /usr/bin/g++ to provide /usr/bin/c++ (c++) in auto mode 125s Setting up libgromacs10:arm64 (2025.0-2) ... 125s Setting up libgromacs-dev (2025.0-2) ... 125s Setting up build-essential (12.12ubuntu1) ... 125s Setting up libnblib-gmx0:arm64 (2025.0-2) ... 125s Setting up openmpi-bin (5.0.7-1) ... 125s update-alternatives: using /usr/bin/mpirun.openmpi to provide /usr/bin/mpirun (mpirun) in auto mode 125s 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 125s update-alternatives: using /usr/bin/mpicc.openmpi to provide /usr/bin/mpicc (mpi) in auto mode 125s Setting up libnblib-gmx-dev (2025.0-2) ... 125s Setting up mpi-default-bin (1.18) ... 125s Setting up gromacs (2025.0-2) ... 125s Processing triggers for man-db (2.13.0-1) ... 125s Processing triggers for libc-bin (2.41-6ubuntu1) ... 128s autopkgtest [22:34:55]: test gromacs-regressiontests: [----------------------- 129s ======================================================== 129s Starting regression tests: basic build, single precision 129s ======================================================== 129s Testing acetonitrilRF . . . gmx grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/acetonitrilRF/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/acetonitrilRF/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/acetonitrilRF/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/acetonitrilRF/topol -maxwarn 10 >grompp.out 2>grompp.err 129s gmx check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/acetonitrilRF/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 129s gmx mdrun -nb cpu -notunepme >mdrun.out 2>&1 129s gmx check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/acetonitrilRF/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 129s gmx check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/acetonitrilRF/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 129s PASSED but check mdp file differences 129s Testing aminoacids . . . gmx grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/aminoacids/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/aminoacids/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/aminoacids/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/aminoacids/topol -maxwarn 10 >grompp.out 2>grompp.err 129s gmx check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/aminoacids/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 129s gmx mdrun -notunepme >mdrun.out 2>&1 129s gmx check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/aminoacids/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 129s gmx check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/aminoacids/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 129s PASSED but check mdp file differences 129s Testing argon . . . gmx grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/argon/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/argon/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/argon/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/argon/topol -maxwarn 10 >grompp.out 2>grompp.err 129s gmx check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/argon/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 129s gmx mdrun -nb cpu -notunepme >mdrun.out 2>&1 129s gmx check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/argon/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 129s gmx check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/argon/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 129s PASSED but check mdp file differences 129s Testing awh_multibias . . . gmx grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/awh_multibias/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/awh_multibias/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/awh_multibias/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/awh_multibias/topol -maxwarn 10 -n /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/awh_multibias/index >grompp.out 2>grompp.err 129s gmx check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/awh_multibias/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 129s gmx mdrun -notunepme -cpi /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/awh_multibias/continue -noappend >mdrun.out 2>&1 129s gmx check -e /tmp/autopkgtest.EALB8F/build.lQs/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 129s gmx check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/awh_multibias/reference_s.trr -f2 traj.part0002.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 129s PASSED but check mdp file differences 129s Testing awh_multidim . . . gmx grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/awh_multidim/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/awh_multidim/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/awh_multidim/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/awh_multidim/topol -maxwarn 10 -n /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/awh_multidim/index >grompp.out 2>grompp.err 129s gmx check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/awh_multidim/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 129s gmx mdrun -notunepme >mdrun.out 2>&1 130s gmx check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/awh_multidim/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 130s gmx check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/awh_multidim/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 130s PASSED but check mdp file differences 130s Testing butane . . . gmx grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/butane/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/butane/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/butane/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/butane/topol -maxwarn 10 >grompp.out 2>grompp.err 130s gmx check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/butane/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 130s gmx mdrun -notunepme >mdrun.out 2>&1 130s gmx check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/butane/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 130s gmx check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/butane/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 130s PASSED but check mdp file differences 130s Testing cbt . . . gmx grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/cbt/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/cbt/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/cbt/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/cbt/topol -maxwarn 10 >grompp.out 2>grompp.err 130s gmx check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/cbt/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 130s gmx mdrun -nb cpu -notunepme >mdrun.out 2>&1 130s gmx check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/cbt/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 130s gmx check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/cbt/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 130s PASSED but check mdp file differences 130s Testing dd121 . . . gmx grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/dd121/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/dd121/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/dd121/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/dd121/topol -maxwarn 10 >grompp.out 2>grompp.err 130s gmx check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/dd121/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 130s gmx mdrun -ntmpi 12 -notunepme >mdrun.out 2>&1 173s gmx check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/dd121/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 173s gmx check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/dd121/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 173s PASSED but check mdp file differences 173s Testing dec+water . . . gmx grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/dec+water/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/dec+water/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/dec+water/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/dec+water/topol -maxwarn 10 >grompp.out 2>grompp.err 173s gmx check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/dec+water/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 173s gmx mdrun -nb cpu -notunepme >mdrun.out 2>&1 173s gmx check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/dec+water/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 173s gmx check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/dec+water/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 173s PASSED but check mdp file differences 173s Testing distance_restraints . . . gmx grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/distance_restraints/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/distance_restraints/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/distance_restraints/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/distance_restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 173s gmx check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/distance_restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 173s gmx mdrun -ntmpi 1 -notunepme >mdrun.out 2>&1 173s gmx check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/distance_restraints/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 173s gmx check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/distance_restraints/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 173s PASSED but check mdp file differences 173s Testing ethyleenglycol . . . gmx grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/ethyleenglycol/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/ethyleenglycol/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/ethyleenglycol/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/ethyleenglycol/topol -maxwarn 10 >grompp.out 2>grompp.err 173s gmx check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/ethyleenglycol/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 173s gmx mdrun -notunepme >mdrun.out 2>&1 173s gmx check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/ethyleenglycol/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 173s gmx check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/ethyleenglycol/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 173s PASSED but check mdp file differences 173s Testing field . . . gmx grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/field/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/field/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/field/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/field/topol -maxwarn 10 >grompp.out 2>grompp.err 174s gmx check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/field/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 174s gmx mdrun -notunepme >mdrun.out 2>&1 174s gmx check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/field/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 174s gmx check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/field/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 174s PASSED but check mdp file differences 174s Testing nacl . . . gmx grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nacl/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nacl/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nacl/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nacl/topol -maxwarn 10 >grompp.out 2>grompp.err 174s gmx check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nacl/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 174s gmx mdrun -notunepme >mdrun.out 2>&1 197s gmx check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nacl/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 197s gmx check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nacl/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 197s PASSED but check mdp file differences 197s Testing nbnxn-energy-groups . . . gmx grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-energy-groups/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-energy-groups/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-energy-groups/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-energy-groups/topol -maxwarn 10 >grompp.out 2>grompp.err 197s gmx check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-energy-groups/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 197s gmx mdrun -nb cpu -notunepme >mdrun.out 2>&1 216s gmx check -e /tmp/autopkgtest.EALB8F/build.lQs/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 216s gmx check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-energy-groups/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 216s PASSED but check mdp file differences 216s Testing nbnxn-free-energy . . . gmx grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-free-energy/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-free-energy/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-free-energy/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-free-energy/topol -maxwarn 10 >grompp.out 2>grompp.err 216s gmx check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-free-energy/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 216s gmx mdrun -notunepme >mdrun.out 2>&1 233s gmx check -e /tmp/autopkgtest.EALB8F/build.lQs/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 233s gmx check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-free-energy/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 233s PASSED but check mdp file differences 233s Testing nbnxn-free-energy-vv . . . gmx grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-free-energy-vv/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-free-energy-vv/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-free-energy-vv/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-free-energy-vv/topol -maxwarn 10 >grompp.out 2>grompp.err 233s gmx check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-free-energy-vv/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 233s gmx mdrun -notunepme >mdrun.out 2>&1 250s gmx check -e /tmp/autopkgtest.EALB8F/build.lQs/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 250s gmx check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-free-energy-vv/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 250s PASSED but check mdp file differences 250s Testing nbnxn-ljpme-geometric . . . gmx grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-ljpme-geometric/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-ljpme-geometric/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-ljpme-geometric/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-ljpme-geometric/topol -maxwarn 10 >grompp.out 2>grompp.err 250s gmx check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-ljpme-geometric/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 250s gmx mdrun -notunepme >mdrun.out 2>&1 264s gmx check -e /tmp/autopkgtest.EALB8F/build.lQs/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 264s gmx check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-ljpme-geometric/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 264s PASSED but check mdp file differences 264s Testing nbnxn-ljpme-LB . . . gmx grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-ljpme-LB/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-ljpme-LB/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-ljpme-LB/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-ljpme-LB/topol -maxwarn 10 >grompp.out 2>grompp.err 264s gmx check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-ljpme-LB/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 264s gmx mdrun -notunepme >mdrun.out 2>&1 329s gmx check -e /tmp/autopkgtest.EALB8F/build.lQs/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 329s gmx check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-ljpme-LB/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 329s PASSED but check mdp file differences 329s Testing nbnxn-ljpme-LB-geometric . . . gmx grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/topol -maxwarn 10 >grompp.out 2>grompp.err 329s gmx check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 329s gmx mdrun -notunepme >mdrun.out 2>&1 393s gmx check -e /tmp/autopkgtest.EALB8F/build.lQs/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 393s gmx check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 393s PASSED but check mdp file differences 393s Testing nbnxn-vdw-force-switch . . . gmx grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-vdw-force-switch/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-vdw-force-switch/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-vdw-force-switch/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-vdw-force-switch/topol -maxwarn 10 >grompp.out 2>grompp.err 393s gmx check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-vdw-force-switch/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 393s gmx mdrun -notunepme >mdrun.out 2>&1 412s gmx check -e /tmp/autopkgtest.EALB8F/build.lQs/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 412s gmx check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-vdw-force-switch/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 412s PASSED but check mdp file differences 412s Testing nbnxn-vdw-potential-switch . . . gmx grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-vdw-potential-switch/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-vdw-potential-switch/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-vdw-potential-switch/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-vdw-potential-switch/topol -maxwarn 10 >grompp.out 2>grompp.err 412s gmx check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-vdw-potential-switch/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 412s gmx mdrun -notunepme >mdrun.out 2>&1 430s gmx check -e /tmp/autopkgtest.EALB8F/build.lQs/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 430s gmx check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-vdw-potential-switch/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 430s PASSED but check mdp file differences 430s Testing nbnxn-vdw-potential-switch-argon . . . gmx grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/topol -maxwarn 10 >grompp.out 2>grompp.err 430s gmx check -s1 /tmp/autopkgtest.EALB8F/build.lQs/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 430s gmx mdrun -notunepme >mdrun.out 2>&1 430s gmx check -e /tmp/autopkgtest.EALB8F/build.lQs/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 430s gmx check -f /tmp/autopkgtest.EALB8F/build.lQs/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 430s PASSED but check mdp file differences 430s Testing nbnxn_pme . . . gmx grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_pme/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_pme/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_pme/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_pme/topol -maxwarn 10 >grompp.out 2>grompp.err 430s gmx check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_pme/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 430s gmx mdrun -notunepme >mdrun.out 2>&1 449s gmx check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_pme/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 449s gmx check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_pme/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 449s PASSED but check mdp file differences 449s Testing nbnxn_pme_order5 . . . gmx grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_pme_order5/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_pme_order5/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_pme_order5/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_pme_order5/topol -maxwarn 10 >grompp.out 2>grompp.err 449s gmx check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_pme_order5/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 449s gmx mdrun -notunepme >mdrun.out 2>&1 467s gmx check -e /tmp/autopkgtest.EALB8F/build.lQs/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 467s gmx check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_pme_order5/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 467s PASSED but check mdp file differences 467s Testing nbnxn_pme_order6 . . . gmx grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_pme_order6/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_pme_order6/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_pme_order6/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_pme_order6/topol -maxwarn 10 >grompp.out 2>grompp.err 467s gmx check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_pme_order6/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 467s gmx mdrun -notunepme >mdrun.out 2>&1 485s gmx check -e /tmp/autopkgtest.EALB8F/build.lQs/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 485s gmx check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_pme_order6/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 485s PASSED but check mdp file differences 485s Testing nbnxn_rf . . . gmx grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_rf/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_rf/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_rf/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_rf/topol -maxwarn 10 >grompp.out 2>grompp.err 485s gmx check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_rf/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 486s gmx mdrun -notunepme >mdrun.out 2>&1 486s gmx check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_rf/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 486s gmx check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_rf/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 486s PASSED but check mdp file differences 486s Testing nbnxn_rzero . . . gmx grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_rzero/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_rzero/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_rzero/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_rzero/topol -maxwarn 10 >grompp.out 2>grompp.err 486s gmx check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_rzero/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 486s gmx mdrun -notunepme >mdrun.out 2>&1 486s gmx check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_rzero/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 486s gmx check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_rzero/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 486s PASSED but check mdp file differences 486s Testing nbnxn_vsite . . . gmx grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_vsite/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_vsite/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_vsite/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_vsite/topol -maxwarn 10 >grompp.out 2>grompp.err 486s gmx check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_vsite/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 486s gmx mdrun -ntmpi 6 -notunepme >mdrun.out 2>&1 520s gmx check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_vsite/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 520s gmx check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_vsite/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 520s PASSED but check mdp file differences 520s Testing nst_mismatch . . . gmx grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nst_mismatch/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nst_mismatch/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nst_mismatch/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nst_mismatch/topol -maxwarn 10 >grompp.out 2>grompp.err 520s gmx check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nst_mismatch/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 520s gmx mdrun -notunepme >mdrun.out 2>&1 521s gmx check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nst_mismatch/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 521s gmx check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nst_mismatch/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 521s PASSED but check mdp file differences 521s Testing octahedron . . . gmx grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/octahedron/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/octahedron/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/octahedron/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/octahedron/topol -maxwarn 10 >grompp.out 2>grompp.err 522s gmx check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/octahedron/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 522s gmx mdrun -notunepme >mdrun.out 2>&1 556s gmx check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/octahedron/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 556s gmx check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/octahedron/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 556s PASSED but check mdp file differences 556s Testing orientation-restraints . . . gmx grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/orientation-restraints/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/orientation-restraints/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/orientation-restraints/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/orientation-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 556s gmx check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/orientation-restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 556s gmx mdrun -ntmpi 1 -notunepme >mdrun.out 2>&1 624s gmx check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/orientation-restraints/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 624s gmx check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/orientation-restraints/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 624s PASSED but check mdp file differences 624s Testing position-restraints . . . gmx grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/position-restraints/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/position-restraints/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/position-restraints/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/position-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 625s gmx check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/position-restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 625s gmx mdrun -notunepme >mdrun.out 2>&1 625s gmx check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/position-restraints/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 625s gmx check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/position-restraints/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 625s PASSED but check mdp file differences 625s Testing pr-vrescale . . . gmx grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pr-vrescale/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pr-vrescale/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pr-vrescale/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pr-vrescale/topol -maxwarn 10 >grompp.out 2>grompp.err 625s gmx check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pr-vrescale/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 625s gmx mdrun -notunepme >mdrun.out 2>&1 643s gmx check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pr-vrescale/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 643s gmx check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pr-vrescale/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 643s PASSED but check mdp file differences 643s Testing pull_constraint . . . gmx grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_constraint/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_constraint/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_constraint/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_constraint/topol -maxwarn 10 -n /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_constraint/index >grompp.out 2>grompp.err 643s gmx check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_constraint/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 643s gmx mdrun -notunepme >mdrun.out 2>&1 643s gmx check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_constraint/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 643s gmx check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_constraint/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 643s PASSED but check mdp file differences 643s Testing pull_cylinder . . . gmx grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_cylinder/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_cylinder/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_cylinder/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_cylinder/topol -maxwarn 10 -n /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_cylinder/index >grompp.out 2>grompp.err 644s gmx check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_cylinder/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 644s gmx mdrun -notunepme >mdrun.out 2>&1 644s gmx check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_cylinder/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 644s gmx check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_cylinder/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 644s PASSED but check mdp file differences 644s Testing pull_geometry_angle . . . gmx grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_geometry_angle/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_geometry_angle/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_geometry_angle/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_geometry_angle/topol -maxwarn 10 -n /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_geometry_angle/index >grompp.out 2>grompp.err 644s gmx check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_geometry_angle/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 644s gmx mdrun -notunepme >mdrun.out 2>&1 667s gmx check -e /tmp/autopkgtest.EALB8F/build.lQs/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 667s gmx check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_geometry_angle/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 667s PASSED but check mdp file differences 667s Testing pull_geometry_angle-axis . . . gmx grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_geometry_angle-axis/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_geometry_angle-axis/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_geometry_angle-axis/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_geometry_angle-axis/topol -maxwarn 10 -n /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_geometry_angle-axis/index >grompp.out 2>grompp.err 667s gmx check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_geometry_angle-axis/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 667s gmx mdrun -notunepme >mdrun.out 2>&1 691s gmx check -e /tmp/autopkgtest.EALB8F/build.lQs/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 691s gmx check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_geometry_angle-axis/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 691s PASSED but check mdp file differences 691s Testing pull_geometry_dihedral . . . gmx grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_geometry_dihedral/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_geometry_dihedral/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_geometry_dihedral/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_geometry_dihedral/topol -maxwarn 10 -n /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_geometry_dihedral/index >grompp.out 2>grompp.err 691s gmx check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_geometry_dihedral/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 691s gmx mdrun -notunepme >mdrun.out 2>&1 714s gmx check -e /tmp/autopkgtest.EALB8F/build.lQs/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 714s gmx check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_geometry_dihedral/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 714s PASSED but check mdp file differences 714s Testing reb . . . gmx grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/reb/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/reb/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/reb/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/reb/topol -maxwarn 10 >grompp.out 2>grompp.err 714s gmx check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/reb/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 714s gmx mdrun -nb cpu -notunepme >mdrun.out 2>&1 714s gmx check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/reb/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 714s gmx check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/reb/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 714s PASSED but check mdp file differences 714s Testing sw . . . gmx grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/sw/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/sw/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/sw/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/sw/topol -maxwarn 10 >grompp.out 2>grompp.err 714s gmx check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/sw/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 714s gmx mdrun -ntmpi 1 -notunepme >mdrun.out 2>&1 727s gmx check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/sw/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 727s gmx check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/sw/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 727s PASSED but check mdp file differences 727s Testing swap_x . . . gmx grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_x/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_x/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_x/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_x/topol -maxwarn 10 -n /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_x/index >grompp.out 2>grompp.err 727s gmx check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_x/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 727s gmx mdrun -notunepme >mdrun.out 2>&1 770s gmx check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_x/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 770s gmx check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_x/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 770s PASSED but check mdp file differences 770s Testing swap_y . . . gmx grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_y/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_y/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_y/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_y/topol -maxwarn 10 -n /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_y/index >grompp.out 2>grompp.err 770s gmx check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_y/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 770s gmx mdrun -notunepme >mdrun.out 2>&1 813s gmx check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_y/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 813s gmx check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_y/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 813s PASSED but check mdp file differences 813s Testing swap_z . . . gmx grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_z/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_z/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_z/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_z/topol -maxwarn 10 -n /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_z/index >grompp.out 2>grompp.err 813s gmx check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_z/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 813s gmx mdrun -notunepme >mdrun.out 2>&1 863s gmx check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_z/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 863s gmx check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_z/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 863s PASSED but check mdp file differences 863s Testing tip4p . . . gmx grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/tip4p/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/tip4p/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/tip4p/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/tip4p/topol -maxwarn 10 >grompp.out 2>grompp.err 863s gmx check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/tip4p/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 863s gmx mdrun -notunepme >mdrun.out 2>&1 864s gmx check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/tip4p/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 864s gmx check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/tip4p/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 864s PASSED but check mdp file differences 864s Testing tip4p_continue . . . gmx grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/tip4p_continue/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/tip4p_continue/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/tip4p_continue/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/tip4p_continue/topol -maxwarn 10 >grompp.out 2>grompp.err 864s gmx check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/tip4p_continue/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 864s gmx mdrun -notunepme -cpi /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/tip4p_continue/continue -noappend >mdrun.out 2>&1 865s gmx check -e /tmp/autopkgtest.EALB8F/build.lQs/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 865s gmx check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/tip4p_continue/reference_s.trr -f2 traj.part0002.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 865s PASSED but check mdp file differences 865s Testing tip4pflex . . . gmx grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/tip4pflex/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/tip4pflex/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/tip4pflex/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/tip4pflex/topol -maxwarn 10 >grompp.out 2>grompp.err 865s gmx check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/tip4pflex/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 865s gmx mdrun -notunepme >mdrun.out 2>&1 881s gmx check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/tip4pflex/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 881s gmx check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/tip4pflex/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 881s PASSED but check mdp file differences 881s Testing urea . . . gmx grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/urea/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/urea/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/urea/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/urea/topol -maxwarn 10 >grompp.out 2>grompp.err 881s gmx check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/urea/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 881s gmx mdrun -notunepme >mdrun.out 2>&1 881s gmx check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/urea/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 881s gmx check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/urea/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 881s PASSED but check mdp file differences 881s Testing walls . . . gmx grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/walls/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/walls/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/walls/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/walls/topol -maxwarn 10 >grompp.out 2>grompp.err 881s gmx check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/walls/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 881s gmx mdrun -notunepme >mdrun.out 2>&1 897s gmx check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/walls/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 897s gmx check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/walls/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 897s PASSED but check mdp file differences 897s All 48 complex tests PASSED 897s All 0 extra tests PASSED 897s Testing linfix . . . 897s gmx grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/linfix/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/linfix/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/linfix/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/linfix/topol -maxwarn 2 >grompp.out 2>grompp.err 897s echo 0 | gmx make_edi -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/linfix/eigenvec.trr -outfrq 1 -linfix 1 -linstep 0.0013 -o sam.edi 1>make_edi.out 2>make_edi.err 897s gmx mdrun -ei sam.edi -eo linfix.xvg >mdrun.out 2>&1 897s Comparing column #0 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 0 897s Comparing column #1 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 0.05 897s Comparing column #2 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 1e-06 897s Testing linacc . . . 897s gmx grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/linacc/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/linacc/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/linacc/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/linacc/topol -maxwarn 2 >grompp.out 2>grompp.err 897s echo 0 | gmx make_edi -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/linacc/eigenvec.trr -outfrq 2 -linacc 1 -accdir +1 -o sam.edi 1>make_edi.out 2>make_edi.err 897s gmx mdrun -ei sam.edi -eo linacc.xvg >mdrun.out 2>&1 897s Comparing column #0 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0 897s Comparing column #1 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0.005 897s Comparing column #2 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0.001 897s Checking monotonicity for column 2 of file linacc.xvg ... values of column 2 are increasing monotonically. 897s Testing radfix . . . 897s gmx grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/radfix/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/radfix/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/radfix/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/radfix/topol -maxwarn 2 >grompp.out 2>grompp.err 897s echo 0 | gmx make_edi -f /tmp/autopkgtest.EALB8F/build.lQs/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 897s gmx mdrun -ei sam.edi -eo radfix.xvg >mdrun.out 2>&1 897s Comparing column #0 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0 897s Comparing column #1 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0.05 897s Comparing column #4 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0 897s Checking radius for file radfix.xvg ... all values within tolerance of 1e-05 897s Testing radacc . . . 897s gmx grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/radacc/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/radacc/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/radacc/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/radacc/topol -maxwarn 2 >grompp.out 2>grompp.err 897s echo 0 | gmx make_edi -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/radacc/eigenvec.trr -outfrq 3 -radacc 1-2 -o sam.edi 1>make_edi.out 2>make_edi.err 897s gmx mdrun -ei sam.edi -eo radacc.xvg >mdrun.out 2>&1 897s Comparing column #0 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/radacc/edsam_reference.xvg and radacc.xvg ... all within tolerance of 0 897s Comparing column #1 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/radacc/edsam_reference.xvg and radacc.xvg ... all within tolerance of 0.05 897s Checking radius for file radacc.xvg ... all values within tolerance of 1e-05 897s Checking monotonicity for column 4 of file radacc.xvg ... values of column 4 are increasing monotonically. 897s Testing radcon . . . 897s gmx grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/radcon/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/radcon/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/radcon/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/radcon/topol -maxwarn 2 >grompp.out 2>grompp.err 897s echo 0 0 | gmx make_edi -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/radcon/eigenvec.trr -outfrq 1 -radcon 1-2 -tar /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/radcon/target.pdb -o sam.edi 1>make_edi.out 2>make_edi.err 897s gmx mdrun -ei sam.edi -eo radcon.xvg >mdrun.out 2>&1 897s Comparing column #0 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/radcon/edsam_reference.xvg and radcon.xvg ... all within tolerance of 0 897s Comparing column #1 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/radcon/edsam_reference.xvg and radcon.xvg ... all within tolerance of 0.05 897s Checking radius for file radcon.xvg ... all values within tolerance of 1e-05 897s Checking monotonicity for column 4 of file radcon.xvg ... values of column 4 are decreasing monotonically. 897s Testing flooding1 . . . 897s gmx grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding1/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding1/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding1/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding1/topol -maxwarn 2 >grompp.out 2>grompp.err 897s gmx mdrun -ei /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding1/sam.edi -eo flooding1.xvg >mdrun.out 2>&1 907s Comparing column #0 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 0 907s Comparing column #1 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 907s Comparing column #2 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 907s Comparing column #3 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 907s Comparing column #4 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 907s Comparing column #5 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 907s Comparing column #6 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 907s Comparing column #7 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 907s Testing flooding2 . . . 907s gmx grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding2/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding2/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding2/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding2/topol -maxwarn 2 >grompp.out 2>grompp.err 907s gmx mdrun -ei /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding2/sam.edi -eo flooding2.xvg >mdrun.out 2>&1 918s Comparing column #0 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0 918s Comparing column #1 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.05 918s Comparing column #2 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.025 918s Comparing column #3 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 250 918s Comparing column #4 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 1000 918s Comparing column #5 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.025 918s Comparing column #6 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 250 918s Comparing column #7 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 1000 918s All 7 essential dynamics tests PASSED 918s ======================================================== 918s Starting regression tests: basic build, double precision 918s ======================================================== 918s Testing acetonitrilRF . . . gmx_d grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/acetonitrilRF/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/acetonitrilRF/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/acetonitrilRF/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/acetonitrilRF/topol -maxwarn 10 >grompp.out 2>grompp.err 918s gmx_d check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/acetonitrilRF/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 918s gmx_d mdrun -nb cpu -notunepme >mdrun.out 2>&1 918s gmx_d check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/acetonitrilRF/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 918s gmx_d check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/acetonitrilRF/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 918s PASSED but check mdp file differences 918s Testing aminoacids . . . gmx_d grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/aminoacids/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/aminoacids/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/aminoacids/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/aminoacids/topol -maxwarn 10 >grompp.out 2>grompp.err 918s gmx_d check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/aminoacids/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 918s gmx_d mdrun -notunepme >mdrun.out 2>&1 918s gmx_d check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/aminoacids/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 918s gmx_d check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/aminoacids/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 918s PASSED but check mdp file differences 918s Testing argon . . . gmx_d grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/argon/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/argon/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/argon/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/argon/topol -maxwarn 10 >grompp.out 2>grompp.err 918s gmx_d check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/argon/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 918s gmx_d mdrun -nb cpu -notunepme >mdrun.out 2>&1 918s gmx_d check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/argon/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 918s gmx_d check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/argon/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 918s PASSED but check mdp file differences 918s Testing awh_multibias . . . gmx_d grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/awh_multibias/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/awh_multibias/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/awh_multibias/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/awh_multibias/topol -maxwarn 10 -n /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/awh_multibias/index >grompp.out 2>grompp.err 918s gmx_d check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/awh_multibias/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 918s gmx_d mdrun -notunepme -cpi /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/awh_multibias/continue -noappend >mdrun.out 2>&1 919s gmx_d check -e /tmp/autopkgtest.EALB8F/build.lQs/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 919s gmx_d check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/awh_multibias/reference_d.trr -f2 traj.part0002.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 919s PASSED but check mdp file differences 919s Testing awh_multidim . . . gmx_d grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/awh_multidim/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/awh_multidim/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/awh_multidim/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/awh_multidim/topol -maxwarn 10 -n /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/awh_multidim/index >grompp.out 2>grompp.err 919s gmx_d check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/awh_multidim/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 919s gmx_d mdrun -notunepme >mdrun.out 2>&1 919s gmx_d check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/awh_multidim/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 919s gmx_d check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/awh_multidim/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 919s PASSED but check mdp file differences 919s Testing butane . . . gmx_d grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/butane/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/butane/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/butane/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/butane/topol -maxwarn 10 >grompp.out 2>grompp.err 919s gmx_d check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/butane/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 919s gmx_d mdrun -notunepme >mdrun.out 2>&1 919s gmx_d check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/butane/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 919s gmx_d check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/butane/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 919s PASSED but check mdp file differences 919s Testing cbt . . . gmx_d grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/cbt/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/cbt/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/cbt/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/cbt/topol -maxwarn 10 >grompp.out 2>grompp.err 919s gmx_d check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/cbt/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 919s gmx_d mdrun -nb cpu -notunepme >mdrun.out 2>&1 919s gmx_d check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/cbt/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 919s gmx_d check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/cbt/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 919s PASSED but check mdp file differences 919s Testing dd121 . . . gmx_d grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/dd121/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/dd121/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/dd121/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/dd121/topol -maxwarn 10 >grompp.out 2>grompp.err 919s gmx_d check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/dd121/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 919s gmx_d mdrun -ntmpi 12 -notunepme >mdrun.out 2>&1 934s gmx_d check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/dd121/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 934s gmx_d check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/dd121/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 934s PASSED but check mdp file differences 934s Testing dec+water . . . gmx_d grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/dec+water/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/dec+water/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/dec+water/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/dec+water/topol -maxwarn 10 >grompp.out 2>grompp.err 934s gmx_d check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/dec+water/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 934s gmx_d mdrun -nb cpu -notunepme >mdrun.out 2>&1 934s gmx_d check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/dec+water/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 934s gmx_d check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/dec+water/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 934s PASSED but check mdp file differences 934s Testing distance_restraints . . . gmx_d grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/distance_restraints/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/distance_restraints/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/distance_restraints/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/distance_restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 934s gmx_d check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/distance_restraints/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 934s gmx_d mdrun -ntmpi 1 -notunepme >mdrun.out 2>&1 934s gmx_d check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/distance_restraints/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 934s gmx_d check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/distance_restraints/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 934s PASSED but check mdp file differences 934s Testing ethyleenglycol . . . gmx_d grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/ethyleenglycol/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/ethyleenglycol/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/ethyleenglycol/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/ethyleenglycol/topol -maxwarn 10 >grompp.out 2>grompp.err 934s gmx_d check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/ethyleenglycol/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 934s gmx_d mdrun -notunepme >mdrun.out 2>&1 934s gmx_d check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/ethyleenglycol/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 934s gmx_d check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/ethyleenglycol/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 934s PASSED but check mdp file differences 934s Testing field . . . gmx_d grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/field/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/field/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/field/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/field/topol -maxwarn 10 >grompp.out 2>grompp.err 935s gmx_d check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/field/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 935s gmx_d mdrun -notunepme >mdrun.out 2>&1 935s gmx_d check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/field/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 935s gmx_d check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/field/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 935s PASSED but check mdp file differences 935s Testing nacl . . . gmx_d grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nacl/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nacl/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nacl/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nacl/topol -maxwarn 10 >grompp.out 2>grompp.err 935s gmx_d check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nacl/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 935s gmx_d mdrun -notunepme >mdrun.out 2>&1 935s gmx_d check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nacl/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 935s gmx_d check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nacl/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 935s PASSED but check mdp file differences 935s Testing nbnxn-energy-groups . . . gmx_d grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-energy-groups/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-energy-groups/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-energy-groups/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-energy-groups/topol -maxwarn 10 >grompp.out 2>grompp.err 935s gmx_d check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-energy-groups/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 935s gmx_d mdrun -nb cpu -notunepme >mdrun.out 2>&1 935s gmx_d check -e /tmp/autopkgtest.EALB8F/build.lQs/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 935s gmx_d check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-energy-groups/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 935s PASSED but check mdp file differences 935s Testing nbnxn-free-energy . . . gmx_d grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-free-energy/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-free-energy/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-free-energy/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-free-energy/topol -maxwarn 10 >grompp.out 2>grompp.err 935s gmx_d check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-free-energy/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 935s gmx_d mdrun -notunepme >mdrun.out 2>&1 935s gmx_d check -e /tmp/autopkgtest.EALB8F/build.lQs/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 936s gmx_d check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-free-energy/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 936s PASSED but check mdp file differences 936s Testing nbnxn-free-energy-vv . . . gmx_d grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-free-energy-vv/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-free-energy-vv/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-free-energy-vv/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-free-energy-vv/topol -maxwarn 10 >grompp.out 2>grompp.err 936s gmx_d check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-free-energy-vv/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 936s gmx_d mdrun -notunepme >mdrun.out 2>&1 936s gmx_d check -e /tmp/autopkgtest.EALB8F/build.lQs/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 936s gmx_d check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-free-energy-vv/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 936s PASSED but check mdp file differences 936s Testing nbnxn-ljpme-geometric . . . gmx_d grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-ljpme-geometric/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-ljpme-geometric/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-ljpme-geometric/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-ljpme-geometric/topol -maxwarn 10 >grompp.out 2>grompp.err 936s gmx_d check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-ljpme-geometric/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 936s gmx_d mdrun -notunepme >mdrun.out 2>&1 936s gmx_d check -e /tmp/autopkgtest.EALB8F/build.lQs/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 936s gmx_d check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-ljpme-geometric/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 936s PASSED but check mdp file differences 936s Testing nbnxn-ljpme-LB . . . gmx_d grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-ljpme-LB/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-ljpme-LB/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-ljpme-LB/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-ljpme-LB/topol -maxwarn 10 >grompp.out 2>grompp.err 936s gmx_d check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-ljpme-LB/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 936s gmx_d mdrun -notunepme >mdrun.out 2>&1 937s gmx_d check -e /tmp/autopkgtest.EALB8F/build.lQs/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 937s gmx_d check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-ljpme-LB/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 937s PASSED but check mdp file differences 937s Testing nbnxn-ljpme-LB-geometric . . . gmx_d grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/topol -maxwarn 10 >grompp.out 2>grompp.err 937s gmx_d check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 937s gmx_d mdrun -notunepme >mdrun.out 2>&1 937s gmx_d check -e /tmp/autopkgtest.EALB8F/build.lQs/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 937s gmx_d check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 937s PASSED but check mdp file differences 937s Testing nbnxn-vdw-force-switch . . . gmx_d grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-vdw-force-switch/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-vdw-force-switch/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-vdw-force-switch/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-vdw-force-switch/topol -maxwarn 10 >grompp.out 2>grompp.err 937s gmx_d check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-vdw-force-switch/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 937s gmx_d mdrun -notunepme >mdrun.out 2>&1 937s gmx_d check -e /tmp/autopkgtest.EALB8F/build.lQs/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 937s gmx_d check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-vdw-force-switch/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 937s PASSED but check mdp file differences 937s Testing nbnxn-vdw-potential-switch . . . gmx_d grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-vdw-potential-switch/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-vdw-potential-switch/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-vdw-potential-switch/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-vdw-potential-switch/topol -maxwarn 10 >grompp.out 2>grompp.err 937s gmx_d check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-vdw-potential-switch/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 937s gmx_d mdrun -notunepme >mdrun.out 2>&1 937s gmx_d check -e /tmp/autopkgtest.EALB8F/build.lQs/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 937s gmx_d check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-vdw-potential-switch/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 937s PASSED but check mdp file differences 937s Testing nbnxn-vdw-potential-switch-argon . . . gmx_d grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/topol -maxwarn 10 >grompp.out 2>grompp.err 937s gmx_d check -s1 /tmp/autopkgtest.EALB8F/build.lQs/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 937s gmx_d mdrun -notunepme >mdrun.out 2>&1 937s gmx_d check -e /tmp/autopkgtest.EALB8F/build.lQs/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 937s gmx_d check -f /tmp/autopkgtest.EALB8F/build.lQs/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 937s PASSED but check mdp file differences 937s Testing nbnxn_pme . . . gmx_d grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_pme/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_pme/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_pme/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_pme/topol -maxwarn 10 >grompp.out 2>grompp.err 937s gmx_d check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_pme/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 937s gmx_d mdrun -notunepme >mdrun.out 2>&1 938s gmx_d check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_pme/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 938s gmx_d check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_pme/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 938s PASSED but check mdp file differences 938s Testing nbnxn_pme_order5 . . . gmx_d grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_pme_order5/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_pme_order5/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_pme_order5/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_pme_order5/topol -maxwarn 10 >grompp.out 2>grompp.err 938s gmx_d check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_pme_order5/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 938s gmx_d mdrun -notunepme >mdrun.out 2>&1 938s gmx_d check -e /tmp/autopkgtest.EALB8F/build.lQs/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 938s gmx_d check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_pme_order5/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 938s PASSED but check mdp file differences 938s Testing nbnxn_pme_order6 . . . gmx_d grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_pme_order6/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_pme_order6/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_pme_order6/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_pme_order6/topol -maxwarn 10 >grompp.out 2>grompp.err 938s gmx_d check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_pme_order6/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 938s gmx_d mdrun -notunepme >mdrun.out 2>&1 938s gmx_d check -e /tmp/autopkgtest.EALB8F/build.lQs/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 938s gmx_d check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_pme_order6/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 938s PASSED but check mdp file differences 938s Testing nbnxn_rf . . . gmx_d grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_rf/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_rf/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_rf/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_rf/topol -maxwarn 10 >grompp.out 2>grompp.err 938s gmx_d check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_rf/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 938s gmx_d mdrun -notunepme >mdrun.out 2>&1 938s gmx_d check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_rf/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 938s gmx_d check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_rf/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 938s PASSED but check mdp file differences 938s Testing nbnxn_rzero . . . gmx_d grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_rzero/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_rzero/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_rzero/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_rzero/topol -maxwarn 10 >grompp.out 2>grompp.err 938s gmx_d check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_rzero/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 938s gmx_d mdrun -notunepme >mdrun.out 2>&1 938s gmx_d check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_rzero/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 938s gmx_d check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_rzero/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 938s PASSED but check mdp file differences 938s Testing nbnxn_vsite . . . gmx_d grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_vsite/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_vsite/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_vsite/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_vsite/topol -maxwarn 10 >grompp.out 2>grompp.err 938s gmx_d check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_vsite/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 938s gmx_d mdrun -ntmpi 6 -notunepme >mdrun.out 2>&1 944s gmx_d check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_vsite/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 944s gmx_d check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_vsite/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 944s PASSED but check mdp file differences 944s Testing nst_mismatch . . . gmx_d grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nst_mismatch/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nst_mismatch/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nst_mismatch/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nst_mismatch/topol -maxwarn 10 >grompp.out 2>grompp.err 945s gmx_d check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nst_mismatch/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 945s gmx_d mdrun -notunepme >mdrun.out 2>&1 945s gmx_d check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nst_mismatch/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 945s gmx_d check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nst_mismatch/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 945s PASSED but check mdp file differences 945s Testing octahedron . . . gmx_d grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/octahedron/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/octahedron/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/octahedron/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/octahedron/topol -maxwarn 10 >grompp.out 2>grompp.err 945s gmx_d check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/octahedron/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 945s gmx_d mdrun -notunepme >mdrun.out 2>&1 945s gmx_d check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/octahedron/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 945s gmx_d check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/octahedron/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 945s PASSED but check mdp file differences 945s Testing orientation-restraints . . . gmx_d grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/orientation-restraints/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/orientation-restraints/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/orientation-restraints/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/orientation-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 945s gmx_d check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/orientation-restraints/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 945s gmx_d mdrun -ntmpi 1 -notunepme >mdrun.out 2>&1 949s gmx_d check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/orientation-restraints/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 949s gmx_d check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/orientation-restraints/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 949s PASSED but check mdp file differences 949s Testing position-restraints . . . gmx_d grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/position-restraints/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/position-restraints/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/position-restraints/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/position-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 949s gmx_d check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/position-restraints/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 949s gmx_d mdrun -notunepme >mdrun.out 2>&1 949s gmx_d check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/position-restraints/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 949s gmx_d check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/position-restraints/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 949s PASSED but check mdp file differences 949s Testing pr-vrescale . . . gmx_d grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pr-vrescale/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pr-vrescale/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pr-vrescale/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pr-vrescale/topol -maxwarn 10 >grompp.out 2>grompp.err 949s gmx_d check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pr-vrescale/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 949s gmx_d mdrun -notunepme >mdrun.out 2>&1 949s gmx_d check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pr-vrescale/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 949s gmx_d check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pr-vrescale/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 949s PASSED but check mdp file differences 949s Testing pull_constraint . . . gmx_d grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_constraint/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_constraint/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_constraint/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_constraint/topol -maxwarn 10 -n /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_constraint/index >grompp.out 2>grompp.err 950s gmx_d check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_constraint/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 950s gmx_d mdrun -notunepme >mdrun.out 2>&1 950s gmx_d check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_constraint/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 950s gmx_d check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_constraint/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 950s PASSED but check mdp file differences 950s Testing pull_cylinder . . . gmx_d grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_cylinder/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_cylinder/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_cylinder/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_cylinder/topol -maxwarn 10 -n /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_cylinder/index >grompp.out 2>grompp.err 950s gmx_d check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_cylinder/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 950s gmx_d mdrun -notunepme >mdrun.out 2>&1 950s gmx_d check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_cylinder/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 950s gmx_d check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_cylinder/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 950s PASSED but check mdp file differences 950s Testing pull_geometry_angle . . . gmx_d grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_geometry_angle/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_geometry_angle/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_geometry_angle/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_geometry_angle/topol -maxwarn 10 -n /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_geometry_angle/index >grompp.out 2>grompp.err 950s gmx_d check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_geometry_angle/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 950s gmx_d mdrun -notunepme >mdrun.out 2>&1 950s gmx_d check -e /tmp/autopkgtest.EALB8F/build.lQs/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 950s gmx_d check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_geometry_angle/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 950s PASSED but check mdp file differences 950s Testing pull_geometry_angle-axis . . . gmx_d grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_geometry_angle-axis/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_geometry_angle-axis/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_geometry_angle-axis/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_geometry_angle-axis/topol -maxwarn 10 -n /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_geometry_angle-axis/index >grompp.out 2>grompp.err 950s gmx_d check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_geometry_angle-axis/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 950s gmx_d mdrun -notunepme >mdrun.out 2>&1 950s gmx_d check -e /tmp/autopkgtest.EALB8F/build.lQs/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 950s gmx_d check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_geometry_angle-axis/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 950s PASSED but check mdp file differences 950s Testing pull_geometry_dihedral . . . gmx_d grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_geometry_dihedral/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_geometry_dihedral/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_geometry_dihedral/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_geometry_dihedral/topol -maxwarn 10 -n /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_geometry_dihedral/index >grompp.out 2>grompp.err 950s gmx_d check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_geometry_dihedral/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 950s gmx_d mdrun -notunepme >mdrun.out 2>&1 950s gmx_d check -e /tmp/autopkgtest.EALB8F/build.lQs/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 950s gmx_d check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_geometry_dihedral/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 950s PASSED but check mdp file differences 950s Testing reb . . . gmx_d grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/reb/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/reb/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/reb/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/reb/topol -maxwarn 10 >grompp.out 2>grompp.err 950s gmx_d check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/reb/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 950s gmx_d mdrun -nb cpu -notunepme >mdrun.out 2>&1 950s gmx_d check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/reb/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 950s gmx_d check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/reb/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 950s PASSED but check mdp file differences 950s Testing sw . . . gmx_d grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/sw/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/sw/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/sw/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/sw/topol -maxwarn 10 >grompp.out 2>grompp.err 950s gmx_d check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/sw/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 950s gmx_d mdrun -ntmpi 1 -notunepme >mdrun.out 2>&1 951s gmx_d check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/sw/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 951s gmx_d check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/sw/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 951s PASSED but check mdp file differences 951s Testing swap_x . . . gmx_d grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_x/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_x/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_x/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_x/topol -maxwarn 10 -n /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_x/index >grompp.out 2>grompp.err 951s gmx_d check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_x/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 951s gmx_d mdrun -notunepme >mdrun.out 2>&1 951s gmx_d check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_x/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 951s gmx_d check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_x/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 952s PASSED but check mdp file differences 952s Testing swap_y . . . gmx_d grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_y/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_y/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_y/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_y/topol -maxwarn 10 -n /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_y/index >grompp.out 2>grompp.err 952s gmx_d check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_y/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 952s gmx_d mdrun -notunepme >mdrun.out 2>&1 952s gmx_d check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_y/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 952s gmx_d check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_y/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 952s PASSED but check mdp file differences 952s Testing swap_z . . . gmx_d grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_z/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_z/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_z/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_z/topol -maxwarn 10 -n /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_z/index >grompp.out 2>grompp.err 953s gmx_d check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_z/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 953s gmx_d mdrun -notunepme >mdrun.out 2>&1 953s gmx_d check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_z/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 953s gmx_d check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_z/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 953s PASSED but check mdp file differences 953s Testing tip4p . . . gmx_d grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/tip4p/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/tip4p/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/tip4p/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/tip4p/topol -maxwarn 10 >grompp.out 2>grompp.err 953s gmx_d check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/tip4p/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 953s gmx_d mdrun -notunepme >mdrun.out 2>&1 953s gmx_d check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/tip4p/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 953s gmx_d check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/tip4p/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 953s PASSED but check mdp file differences 953s Testing tip4p_continue . . . gmx_d grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/tip4p_continue/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/tip4p_continue/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/tip4p_continue/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/tip4p_continue/topol -maxwarn 10 >grompp.out 2>grompp.err 954s gmx_d check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/tip4p_continue/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 954s gmx_d mdrun -notunepme -cpi /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/tip4p_continue/continue -noappend >mdrun.out 2>&1 954s gmx_d check -e /tmp/autopkgtest.EALB8F/build.lQs/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 954s gmx_d check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/tip4p_continue/reference_d.trr -f2 traj.part0002.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 954s PASSED but check mdp file differences 954s Testing tip4pflex . . . gmx_d grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/tip4pflex/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/tip4pflex/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/tip4pflex/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/tip4pflex/topol -maxwarn 10 >grompp.out 2>grompp.err 954s gmx_d check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/tip4pflex/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 954s gmx_d mdrun -notunepme >mdrun.out 2>&1 954s gmx_d check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/tip4pflex/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 954s gmx_d check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/tip4pflex/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 954s PASSED but check mdp file differences 954s Testing urea . . . gmx_d grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/urea/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/urea/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/urea/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/urea/topol -maxwarn 10 >grompp.out 2>grompp.err 954s gmx_d check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/urea/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 954s gmx_d mdrun -notunepme >mdrun.out 2>&1 954s gmx_d check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/urea/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 954s gmx_d check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/urea/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 954s PASSED but check mdp file differences 954s Testing walls . . . gmx_d grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/walls/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/walls/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/walls/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/walls/topol -maxwarn 10 >grompp.out 2>grompp.err 954s gmx_d check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/walls/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 954s gmx_d mdrun -notunepme >mdrun.out 2>&1 954s gmx_d check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/walls/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 954s gmx_d check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/walls/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 954s PASSED but check mdp file differences 954s All 48 complex tests PASSED 954s All 0 extra tests PASSED 954s Testing linfix . . . 954s gmx_d grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/linfix/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/linfix/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/linfix/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/linfix/topol -maxwarn 2 >grompp.out 2>grompp.err 954s echo 0 | gmx_d make_edi -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/linfix/eigenvec.trr -outfrq 1 -linfix 1 -linstep 0.0013 -o sam.edi 1>make_edi.out 2>make_edi.err 954s gmx_d mdrun -ei sam.edi -eo linfix.xvg >mdrun.out 2>&1 954s Comparing column #0 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 0 954s Comparing column #1 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 0.05 954s Comparing column #2 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 1e-06 954s Testing linacc . . . 954s gmx_d grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/linacc/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/linacc/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/linacc/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/linacc/topol -maxwarn 2 >grompp.out 2>grompp.err 954s echo 0 | gmx_d make_edi -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/linacc/eigenvec.trr -outfrq 2 -linacc 1 -accdir +1 -o sam.edi 1>make_edi.out 2>make_edi.err 954s gmx_d mdrun -ei sam.edi -eo linacc.xvg >mdrun.out 2>&1 954s Comparing column #0 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0 954s Comparing column #1 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0.005 954s Comparing column #2 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0.001 954s Checking monotonicity for column 2 of file linacc.xvg ... values of column 2 are increasing monotonically. 954s Testing radfix . . . 954s gmx_d grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/radfix/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/radfix/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/radfix/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/radfix/topol -maxwarn 2 >grompp.out 2>grompp.err 954s echo 0 | gmx_d make_edi -f /tmp/autopkgtest.EALB8F/build.lQs/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 954s gmx_d mdrun -ei sam.edi -eo radfix.xvg >mdrun.out 2>&1 955s Comparing column #0 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0 955s Comparing column #1 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0.05 955s Comparing column #4 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0 955s Checking radius for file radfix.xvg ... all values within tolerance of 1e-05 955s Testing radacc . . . 955s gmx_d grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/radacc/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/radacc/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/radacc/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/radacc/topol -maxwarn 2 >grompp.out 2>grompp.err 955s echo 0 | gmx_d make_edi -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/radacc/eigenvec.trr -outfrq 3 -radacc 1-2 -o sam.edi 1>make_edi.out 2>make_edi.err 955s gmx_d mdrun -ei sam.edi -eo radacc.xvg >mdrun.out 2>&1 955s Comparing column #0 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/radacc/edsam_reference.xvg and radacc.xvg ... all within tolerance of 0 955s Comparing column #1 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/radacc/edsam_reference.xvg and radacc.xvg ... all within tolerance of 0.05 955s Checking radius for file radacc.xvg ... all values within tolerance of 1e-05 955s Checking monotonicity for column 4 of file radacc.xvg ... values of column 4 are increasing monotonically. 955s Testing radcon . . . 955s gmx_d grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/radcon/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/radcon/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/radcon/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/radcon/topol -maxwarn 2 >grompp.out 2>grompp.err 955s echo 0 0 | gmx_d make_edi -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/radcon/eigenvec.trr -outfrq 1 -radcon 1-2 -tar /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/radcon/target.pdb -o sam.edi 1>make_edi.out 2>make_edi.err 955s gmx_d mdrun -ei sam.edi -eo radcon.xvg >mdrun.out 2>&1 955s Comparing column #0 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/radcon/edsam_reference.xvg and radcon.xvg ... all within tolerance of 0 955s Comparing column #1 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/radcon/edsam_reference.xvg and radcon.xvg ... all within tolerance of 0.05 955s Checking radius for file radcon.xvg ... all values within tolerance of 1e-05 955s Checking monotonicity for column 4 of file radcon.xvg ... values of column 4 are decreasing monotonically. 955s Testing flooding1 . . . 955s gmx_d grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding1/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding1/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding1/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding1/topol -maxwarn 2 >grompp.out 2>grompp.err 955s gmx_d mdrun -ei /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding1/sam.edi -eo flooding1.xvg >mdrun.out 2>&1 955s Comparing column #0 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 0 955s Comparing column #1 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 955s Comparing column #2 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 955s Comparing column #3 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 955s Comparing column #4 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 955s Comparing column #5 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 955s Comparing column #6 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 955s Comparing column #7 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 955s Testing flooding2 . . . 955s gmx_d grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding2/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding2/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding2/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding2/topol -maxwarn 2 >grompp.out 2>grompp.err 955s gmx_d mdrun -ei /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding2/sam.edi -eo flooding2.xvg >mdrun.out 2>&1 956s Comparing column #0 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0 956s Comparing column #1 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.05 956s Comparing column #2 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.025 956s Comparing column #3 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 250 956s Comparing column #4 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 1000 956s Comparing column #5 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.025 956s Comparing column #6 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 250 956s Comparing column #7 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 1000 956s All 7 essential dynamics tests PASSED 956s ============================================================= 956s Starting regression tests: MPI build, single precision (only) 956s ============================================================= 956s Will test on 4 MPI ranks (if possible) 956s Testing acetonitrilRF . . . gmx_mpi grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/acetonitrilRF/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/acetonitrilRF/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/acetonitrilRF/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/acetonitrilRF/topol -maxwarn 10 >grompp.out 2>grompp.err 957s gmx_mpi check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/acetonitrilRF/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 957s mpirun -np 4 -wdir /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/acetonitrilRF gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1 957s gmx_mpi check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/acetonitrilRF/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 957s gmx_mpi check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/acetonitrilRF/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 957s PASSED but check mdp file differences 957s Testing aminoacids . . . gmx_mpi grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/aminoacids/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/aminoacids/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/aminoacids/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/aminoacids/topol -maxwarn 10 >grompp.out 2>grompp.err 957s gmx_mpi check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/aminoacids/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 957s mpirun -np 4 -wdir /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/aminoacids gmx_mpi mdrun -notunepme >mdrun.out 2>&1 958s gmx_mpi check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/aminoacids/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 958s gmx_mpi check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/aminoacids/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 958s PASSED but check mdp file differences 958s Testing argon . . . gmx_mpi grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/argon/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/argon/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/argon/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/argon/topol -maxwarn 10 >grompp.out 2>grompp.err 958s gmx_mpi check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/argon/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 958s mpirun -np 4 -wdir /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/argon gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1 959s gmx_mpi check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/argon/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 959s gmx_mpi check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/argon/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 959s PASSED but check mdp file differences 959s Testing awh_multibias . . . gmx_mpi grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/awh_multibias/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/awh_multibias/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/awh_multibias/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/awh_multibias/topol -maxwarn 10 -n /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/awh_multibias/index >grompp.out 2>grompp.err 959s gmx_mpi check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/awh_multibias/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 959s mpirun -np 4 -wdir /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/awh_multibias gmx_mpi mdrun -notunepme -cpi /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/awh_multibias/continue -noappend >mdrun.out 2>&1 959s gmx_mpi check -e /tmp/autopkgtest.EALB8F/build.lQs/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 959s gmx_mpi check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/awh_multibias/reference_s.trr -f2 traj.part0002.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 959s PASSED but check mdp file differences 959s Testing awh_multidim . . . gmx_mpi grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/awh_multidim/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/awh_multidim/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/awh_multidim/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/awh_multidim/topol -maxwarn 10 -n /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/awh_multidim/index >grompp.out 2>grompp.err 959s gmx_mpi check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/awh_multidim/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 960s mpirun -np 4 -wdir /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/awh_multidim gmx_mpi mdrun -notunepme >mdrun.out 2>&1 960s gmx_mpi check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/awh_multidim/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 960s gmx_mpi check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/awh_multidim/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 960s PASSED but check mdp file differences 960s Testing butane . . . gmx_mpi grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/butane/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/butane/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/butane/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/butane/topol -maxwarn 10 >grompp.out 2>grompp.err 960s gmx_mpi check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/butane/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 960s mpirun -np 4 -wdir /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/butane gmx_mpi mdrun -notunepme >mdrun.out 2>&1 960s gmx_mpi check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/butane/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 960s gmx_mpi check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/butane/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 960s PASSED but check mdp file differences 960s Testing cbt . . . gmx_mpi grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/cbt/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/cbt/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/cbt/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/cbt/topol -maxwarn 10 >grompp.out 2>grompp.err 960s gmx_mpi check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/cbt/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 961s mpirun -np 4 -wdir /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/cbt gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1 961s gmx_mpi check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/cbt/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 961s gmx_mpi check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/cbt/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 961s PASSED but check mdp file differences 961s Testing dd121 . . . gmx_mpi grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/dd121/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/dd121/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/dd121/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/dd121/topol -maxwarn 10 >grompp.out 2>grompp.err 961s gmx_mpi check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/dd121/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 961s mpirun -np 4 -wdir /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/dd121 gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1008s gmx_mpi check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/dd121/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1008s gmx_mpi check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/dd121/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1008s PASSED but check mdp file differences 1008s Testing dec+water . . . gmx_mpi grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/dec+water/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/dec+water/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/dec+water/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/dec+water/topol -maxwarn 10 >grompp.out 2>grompp.err 1008s gmx_mpi check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/dec+water/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1008s mpirun -np 4 -wdir /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/dec+water gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1 1009s gmx_mpi check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/dec+water/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1009s gmx_mpi check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/dec+water/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1009s PASSED but check mdp file differences 1009s Testing distance_restraints . . . gmx_mpi grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/distance_restraints/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/distance_restraints/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/distance_restraints/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/distance_restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 1009s gmx_mpi check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/distance_restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1009s mpirun -np 1 -wdir /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/distance_restraints gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1009s gmx_mpi check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/distance_restraints/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1009s gmx_mpi check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/distance_restraints/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1009s PASSED but check mdp file differences 1009s Testing ethyleenglycol . . . gmx_mpi grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/ethyleenglycol/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/ethyleenglycol/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/ethyleenglycol/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/ethyleenglycol/topol -maxwarn 10 >grompp.out 2>grompp.err 1009s gmx_mpi check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/ethyleenglycol/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1010s mpirun -np 4 -wdir /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/ethyleenglycol gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1010s gmx_mpi check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/ethyleenglycol/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1010s gmx_mpi check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/ethyleenglycol/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1010s PASSED but check mdp file differences 1010s Testing field . . . gmx_mpi grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/field/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/field/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/field/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/field/topol -maxwarn 10 >grompp.out 2>grompp.err 1010s gmx_mpi check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/field/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1010s mpirun -np 4 -wdir /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/field gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1011s gmx_mpi check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/field/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1011s gmx_mpi check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/field/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1011s PASSED but check mdp file differences 1011s Testing nacl . . . gmx_mpi grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nacl/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nacl/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nacl/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nacl/topol -maxwarn 10 >grompp.out 2>grompp.err 1011s gmx_mpi check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nacl/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1011s mpirun -np 4 -wdir /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nacl gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1058s gmx_mpi check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nacl/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1058s gmx_mpi check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nacl/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1058s PASSED but check mdp file differences 1058s Testing nbnxn-energy-groups . . . gmx_mpi grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-energy-groups/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-energy-groups/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-energy-groups/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-energy-groups/topol -maxwarn 10 >grompp.out 2>grompp.err 1058s gmx_mpi check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-energy-groups/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1058s mpirun -np 4 -wdir /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-energy-groups gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1 1095s gmx_mpi check -e /tmp/autopkgtest.EALB8F/build.lQs/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 1095s gmx_mpi check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-energy-groups/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1095s PASSED but check mdp file differences 1095s Testing nbnxn-free-energy . . . gmx_mpi grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-free-energy/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-free-energy/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-free-energy/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-free-energy/topol -maxwarn 10 >grompp.out 2>grompp.err 1095s gmx_mpi check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-free-energy/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1095s mpirun -np 4 -wdir /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-free-energy gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1130s gmx_mpi check -e /tmp/autopkgtest.EALB8F/build.lQs/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 1130s gmx_mpi check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-free-energy/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1130s PASSED but check mdp file differences 1130s Testing nbnxn-free-energy-vv . . . gmx_mpi grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-free-energy-vv/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-free-energy-vv/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-free-energy-vv/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-free-energy-vv/topol -maxwarn 10 >grompp.out 2>grompp.err 1130s gmx_mpi check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-free-energy-vv/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1130s mpirun -np 4 -wdir /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-free-energy-vv gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1165s gmx_mpi check -e /tmp/autopkgtest.EALB8F/build.lQs/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 1165s gmx_mpi check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-free-energy-vv/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1165s PASSED but check mdp file differences 1165s Testing nbnxn-ljpme-geometric . . . gmx_mpi grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-ljpme-geometric/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-ljpme-geometric/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-ljpme-geometric/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-ljpme-geometric/topol -maxwarn 10 >grompp.out 2>grompp.err 1165s gmx_mpi check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-ljpme-geometric/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1165s mpirun -np 4 -wdir /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-ljpme-geometric gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1193s gmx_mpi check -e /tmp/autopkgtest.EALB8F/build.lQs/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 1193s gmx_mpi check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-ljpme-geometric/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1193s PASSED but check mdp file differences 1193s Testing nbnxn-ljpme-LB . . . gmx_mpi grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-ljpme-LB/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-ljpme-LB/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-ljpme-LB/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-ljpme-LB/topol -maxwarn 10 >grompp.out 2>grompp.err 1193s gmx_mpi check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-ljpme-LB/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1193s mpirun -np 4 -wdir /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-ljpme-LB gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1322s gmx_mpi check -e /tmp/autopkgtest.EALB8F/build.lQs/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 1322s gmx_mpi check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-ljpme-LB/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1322s PASSED but check mdp file differences 1322s Testing nbnxn-ljpme-LB-geometric . . . gmx_mpi grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/topol -maxwarn 10 >grompp.out 2>grompp.err 1323s gmx_mpi check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1323s mpirun -np 4 -wdir /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-ljpme-LB-geometric gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1451s gmx_mpi check -e /tmp/autopkgtest.EALB8F/build.lQs/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 1451s gmx_mpi check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1452s PASSED but check mdp file differences 1452s Testing nbnxn-vdw-force-switch . . . gmx_mpi grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-vdw-force-switch/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-vdw-force-switch/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-vdw-force-switch/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-vdw-force-switch/topol -maxwarn 10 >grompp.out 2>grompp.err 1452s gmx_mpi check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-vdw-force-switch/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1452s mpirun -np 4 -wdir /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-vdw-force-switch gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1489s gmx_mpi check -e /tmp/autopkgtest.EALB8F/build.lQs/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 1489s gmx_mpi check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-vdw-force-switch/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1489s PASSED but check mdp file differences 1489s Testing nbnxn-vdw-potential-switch . . . gmx_mpi grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-vdw-potential-switch/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-vdw-potential-switch/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-vdw-potential-switch/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-vdw-potential-switch/topol -maxwarn 10 >grompp.out 2>grompp.err 1489s gmx_mpi check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-vdw-potential-switch/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1489s mpirun -np 4 -wdir /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-vdw-potential-switch gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1526s gmx_mpi check -e /tmp/autopkgtest.EALB8F/build.lQs/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 1526s gmx_mpi check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-vdw-potential-switch/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1526s PASSED but check mdp file differences 1526s Testing nbnxn-vdw-potential-switch-argon . . . gmx_mpi grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/topol -maxwarn 10 >grompp.out 2>grompp.err 1526s gmx_mpi check -s1 /tmp/autopkgtest.EALB8F/build.lQs/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 1526s mpirun -np 4 -wdir /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1526s gmx_mpi check -e /tmp/autopkgtest.EALB8F/build.lQs/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 1526s gmx_mpi check -f /tmp/autopkgtest.EALB8F/build.lQs/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 1527s PASSED but check mdp file differences 1527s Testing nbnxn_pme . . . gmx_mpi grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_pme/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_pme/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_pme/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_pme/topol -maxwarn 10 >grompp.out 2>grompp.err 1527s gmx_mpi check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_pme/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1527s mpirun -np 4 -wdir /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_pme gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1564s gmx_mpi check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_pme/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1564s gmx_mpi check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_pme/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1564s PASSED but check mdp file differences 1564s Testing nbnxn_pme_order5 . . . gmx_mpi grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_pme_order5/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_pme_order5/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_pme_order5/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_pme_order5/topol -maxwarn 10 >grompp.out 2>grompp.err 1564s gmx_mpi check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_pme_order5/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1564s mpirun -np 4 -wdir /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_pme_order5 gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1601s gmx_mpi check -e /tmp/autopkgtest.EALB8F/build.lQs/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 1601s gmx_mpi check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_pme_order5/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1601s PASSED but check mdp file differences 1601s Testing nbnxn_pme_order6 . . . gmx_mpi grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_pme_order6/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_pme_order6/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_pme_order6/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_pme_order6/topol -maxwarn 10 >grompp.out 2>grompp.err 1601s gmx_mpi check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_pme_order6/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1601s mpirun -np 4 -wdir /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_pme_order6 gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1638s gmx_mpi check -e /tmp/autopkgtest.EALB8F/build.lQs/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 1638s gmx_mpi check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_pme_order6/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1638s PASSED but check mdp file differences 1638s Testing nbnxn_rf . . . gmx_mpi grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_rf/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_rf/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_rf/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_rf/topol -maxwarn 10 >grompp.out 2>grompp.err 1638s gmx_mpi check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_rf/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1638s mpirun -np 4 -wdir /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_rf gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1639s gmx_mpi check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_rf/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1639s gmx_mpi check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_rf/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1639s PASSED but check mdp file differences 1639s Testing nbnxn_rzero . . . gmx_mpi grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_rzero/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_rzero/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_rzero/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_rzero/topol -maxwarn 10 >grompp.out 2>grompp.err 1639s gmx_mpi check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_rzero/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1639s mpirun -np 4 -wdir /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_rzero gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1639s gmx_mpi check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_rzero/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1639s gmx_mpi check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_rzero/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1639s PASSED but check mdp file differences 1639s Testing nbnxn_vsite . . . gmx_mpi grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_vsite/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_vsite/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_vsite/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_vsite/topol -maxwarn 10 >grompp.out 2>grompp.err 1640s gmx_mpi check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_vsite/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1640s mpirun -np 4 -wdir /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_vsite gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1686s gmx_mpi check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_vsite/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1687s gmx_mpi check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nbnxn_vsite/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1687s PASSED but check mdp file differences 1687s Testing nst_mismatch . . . gmx_mpi grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nst_mismatch/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nst_mismatch/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nst_mismatch/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nst_mismatch/topol -maxwarn 10 >grompp.out 2>grompp.err 1687s gmx_mpi check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nst_mismatch/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1687s mpirun -np 4 -wdir /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nst_mismatch gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1689s gmx_mpi check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nst_mismatch/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1690s gmx_mpi check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/nst_mismatch/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1690s PASSED but check mdp file differences 1690s Testing octahedron . . . gmx_mpi grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/octahedron/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/octahedron/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/octahedron/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/octahedron/topol -maxwarn 10 >grompp.out 2>grompp.err 1690s gmx_mpi check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/octahedron/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1690s mpirun -np 4 -wdir /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/octahedron gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1758s gmx_mpi check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/octahedron/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1758s gmx_mpi check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/octahedron/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1758s PASSED but check mdp file differences 1758s Testing orientation-restraints . . . gmx_mpi grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/orientation-restraints/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/orientation-restraints/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/orientation-restraints/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/orientation-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 1758s gmx_mpi check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/orientation-restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1758s mpirun -np 1 -wdir /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/orientation-restraints gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1827s gmx_mpi check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/orientation-restraints/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1827s gmx_mpi check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/orientation-restraints/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1827s PASSED but check mdp file differences 1827s Testing position-restraints . . . gmx_mpi grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/position-restraints/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/position-restraints/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/position-restraints/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/position-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 1827s gmx_mpi check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/position-restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1828s mpirun -np 4 -wdir /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/position-restraints gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1828s gmx_mpi check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/position-restraints/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1828s gmx_mpi check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/position-restraints/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1828s PASSED but check mdp file differences 1828s Testing pr-vrescale . . . gmx_mpi grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pr-vrescale/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pr-vrescale/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pr-vrescale/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pr-vrescale/topol -maxwarn 10 >grompp.out 2>grompp.err 1828s gmx_mpi check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pr-vrescale/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1828s mpirun -np 4 -wdir /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pr-vrescale gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1865s gmx_mpi check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pr-vrescale/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1865s gmx_mpi check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pr-vrescale/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1865s PASSED but check mdp file differences 1865s Testing pull_constraint . . . gmx_mpi grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_constraint/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_constraint/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_constraint/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_constraint/topol -maxwarn 10 -n /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_constraint/index >grompp.out 2>grompp.err 1866s gmx_mpi check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_constraint/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1866s mpirun -np 4 -wdir /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_constraint gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1866s gmx_mpi check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_constraint/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1866s gmx_mpi check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_constraint/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1866s PASSED but check mdp file differences 1866s Testing pull_cylinder . . . gmx_mpi grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_cylinder/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_cylinder/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_cylinder/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_cylinder/topol -maxwarn 10 -n /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_cylinder/index >grompp.out 2>grompp.err 1866s gmx_mpi check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_cylinder/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1866s mpirun -np 4 -wdir /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_cylinder gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1866s gmx_mpi check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_cylinder/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1867s gmx_mpi check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_cylinder/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1867s PASSED but check mdp file differences 1867s Testing pull_geometry_angle . . . gmx_mpi grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_geometry_angle/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_geometry_angle/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_geometry_angle/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_geometry_angle/topol -maxwarn 10 -n /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_geometry_angle/index >grompp.out 2>grompp.err 1867s gmx_mpi check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_geometry_angle/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1867s mpirun -np 4 -wdir /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_geometry_angle gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1914s gmx_mpi check -e /tmp/autopkgtest.EALB8F/build.lQs/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 1914s gmx_mpi check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_geometry_angle/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1914s PASSED but check mdp file differences 1914s Testing pull_geometry_angle-axis . . . gmx_mpi grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_geometry_angle-axis/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_geometry_angle-axis/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_geometry_angle-axis/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_geometry_angle-axis/topol -maxwarn 10 -n /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_geometry_angle-axis/index >grompp.out 2>grompp.err 1914s gmx_mpi check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_geometry_angle-axis/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1914s mpirun -np 4 -wdir /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_geometry_angle-axis gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1962s gmx_mpi check -e /tmp/autopkgtest.EALB8F/build.lQs/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 1962s gmx_mpi check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_geometry_angle-axis/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1962s PASSED but check mdp file differences 1962s Testing pull_geometry_dihedral . . . gmx_mpi grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_geometry_dihedral/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_geometry_dihedral/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_geometry_dihedral/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_geometry_dihedral/topol -maxwarn 10 -n /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_geometry_dihedral/index >grompp.out 2>grompp.err 1962s gmx_mpi check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_geometry_dihedral/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1962s mpirun -np 4 -wdir /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_geometry_dihedral gmx_mpi mdrun -notunepme >mdrun.out 2>&1 2010s gmx_mpi check -e /tmp/autopkgtest.EALB8F/build.lQs/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 2010s gmx_mpi check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/pull_geometry_dihedral/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 2010s PASSED but check mdp file differences 2010s Testing reb . . . gmx_mpi grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/reb/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/reb/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/reb/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/reb/topol -maxwarn 10 >grompp.out 2>grompp.err 2010s gmx_mpi check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/reb/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 2010s mpirun -np 4 -wdir /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/reb gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1 2010s gmx_mpi check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/reb/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 2010s gmx_mpi check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/reb/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 2010s PASSED but check mdp file differences 2010s Testing sw . . . gmx_mpi grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/sw/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/sw/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/sw/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/sw/topol -maxwarn 10 >grompp.out 2>grompp.err 2010s gmx_mpi check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/sw/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 2010s mpirun -np 1 -wdir /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/sw gmx_mpi mdrun -notunepme >mdrun.out 2>&1 2023s gmx_mpi check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/sw/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 2023s gmx_mpi check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/sw/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 2023s PASSED but check mdp file differences 2023s Testing swap_x . . . gmx_mpi grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_x/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_x/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_x/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_x/topol -maxwarn 10 -n /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_x/index >grompp.out 2>grompp.err 2023s gmx_mpi check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_x/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 2024s mpirun -np 4 -wdir /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_x gmx_mpi mdrun -notunepme >mdrun.out 2>&1 2109s gmx_mpi check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_x/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 2109s gmx_mpi check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_x/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 2109s PASSED but check mdp file differences 2109s Testing swap_y . . . gmx_mpi grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_y/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_y/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_y/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_y/topol -maxwarn 10 -n /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_y/index >grompp.out 2>grompp.err 2109s gmx_mpi check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_y/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 2110s mpirun -np 4 -wdir /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_y gmx_mpi mdrun -notunepme >mdrun.out 2>&1 2195s gmx_mpi check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_y/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 2195s gmx_mpi check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_y/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 2195s PASSED but check mdp file differences 2195s Testing swap_z . . . gmx_mpi grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_z/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_z/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_z/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_z/topol -maxwarn 10 -n /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_z/index >grompp.out 2>grompp.err 2196s gmx_mpi check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_z/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 2196s mpirun -np 4 -wdir /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_z gmx_mpi mdrun -notunepme >mdrun.out 2>&1 2295s gmx_mpi check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_z/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 2295s gmx_mpi check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/swap_z/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 2295s PASSED but check mdp file differences 2295s Testing tip4p . . . gmx_mpi grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/tip4p/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/tip4p/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/tip4p/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/tip4p/topol -maxwarn 10 >grompp.out 2>grompp.err 2296s gmx_mpi check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/tip4p/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 2296s mpirun -np 4 -wdir /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/tip4p gmx_mpi mdrun -notunepme >mdrun.out 2>&1 2298s gmx_mpi check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/tip4p/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 2298s gmx_mpi check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/tip4p/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 2298s PASSED but check mdp file differences 2298s Testing tip4p_continue . . . gmx_mpi grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/tip4p_continue/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/tip4p_continue/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/tip4p_continue/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/tip4p_continue/topol -maxwarn 10 >grompp.out 2>grompp.err 2299s gmx_mpi check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/tip4p_continue/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 2299s mpirun -np 4 -wdir /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/tip4p_continue gmx_mpi mdrun -notunepme -cpi /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/tip4p_continue/continue -noappend >mdrun.out 2>&1 2301s gmx_mpi check -e /tmp/autopkgtest.EALB8F/build.lQs/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 2301s gmx_mpi check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/tip4p_continue/reference_s.trr -f2 traj.part0002.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 2302s PASSED but check mdp file differences 2302s Testing tip4pflex . . . gmx_mpi grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/tip4pflex/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/tip4pflex/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/tip4pflex/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/tip4pflex/topol -maxwarn 10 >grompp.out 2>grompp.err 2302s gmx_mpi check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/tip4pflex/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 2302s mpirun -np 4 -wdir /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/tip4pflex gmx_mpi mdrun -notunepme >mdrun.out 2>&1 2333s gmx_mpi check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/tip4pflex/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 2333s gmx_mpi check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/tip4pflex/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 2333s PASSED but check mdp file differences 2333s Testing urea . . . gmx_mpi grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/urea/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/urea/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/urea/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/urea/topol -maxwarn 10 >grompp.out 2>grompp.err 2333s gmx_mpi check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/urea/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 2333s mpirun -np 4 -wdir /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/urea gmx_mpi mdrun -notunepme >mdrun.out 2>&1 2333s gmx_mpi check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/urea/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 2333s gmx_mpi check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/urea/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 2334s PASSED but check mdp file differences 2334s Testing walls . . . gmx_mpi grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/walls/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/walls/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/walls/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/walls/topol -maxwarn 10 >grompp.out 2>grompp.err 2334s gmx_mpi check -s1 /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/walls/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 2334s mpirun -np 4 -wdir /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/walls gmx_mpi mdrun -notunepme >mdrun.out 2>&1 2365s gmx_mpi check -e /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/walls/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 2365s gmx_mpi check -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/complex/walls/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 2365s PASSED but check mdp file differences 2365s All 48 complex tests PASSED 2365s All 0 extra tests PASSED 2365s Testing linfix . . . 2365s gmx_mpi grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/linfix/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/linfix/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/linfix/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/linfix/topol -maxwarn 2 >grompp.out 2>grompp.err 2365s echo 0 | gmx_mpi make_edi -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/linfix/eigenvec.trr -outfrq 1 -linfix 1 -linstep 0.0013 -o sam.edi 1>make_edi.out 2>make_edi.err 2365s mpirun -np 4 -wdir /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/linfix gmx_mpi mdrun -ei sam.edi -eo linfix.xvg >mdrun.out 2>&1 2365s Comparing column #0 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 0 2365s Comparing column #1 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 0.05 2365s Comparing column #2 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 1e-06 2365s Testing linacc . . . 2365s gmx_mpi grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/linacc/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/linacc/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/linacc/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/linacc/topol -maxwarn 2 >grompp.out 2>grompp.err 2365s echo 0 | gmx_mpi make_edi -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/linacc/eigenvec.trr -outfrq 2 -linacc 1 -accdir +1 -o sam.edi 1>make_edi.out 2>make_edi.err 2366s mpirun -np 4 -wdir /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/linacc gmx_mpi mdrun -ei sam.edi -eo linacc.xvg >mdrun.out 2>&1 2366s Comparing column #0 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0 2366s Comparing column #1 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0.005 2366s Comparing column #2 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0.001 2366s Checking monotonicity for column 2 of file linacc.xvg ... values of column 2 are increasing monotonically. 2366s Testing radfix . . . 2366s gmx_mpi grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/radfix/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/radfix/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/radfix/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/radfix/topol -maxwarn 2 >grompp.out 2>grompp.err 2366s echo 0 | gmx_mpi make_edi -f /tmp/autopkgtest.EALB8F/build.lQs/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 2366s mpirun -np 4 -wdir /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/radfix gmx_mpi mdrun -ei sam.edi -eo radfix.xvg >mdrun.out 2>&1 2366s Comparing column #0 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0 2366s Comparing column #1 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0.05 2366s Comparing column #4 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0 2366s Checking radius for file radfix.xvg ... all values within tolerance of 1e-05 2366s Testing radacc . . . 2366s gmx_mpi grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/radacc/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/radacc/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/radacc/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/radacc/topol -maxwarn 2 >grompp.out 2>grompp.err 2366s echo 0 | gmx_mpi make_edi -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/radacc/eigenvec.trr -outfrq 3 -radacc 1-2 -o sam.edi 1>make_edi.out 2>make_edi.err 2366s mpirun -np 4 -wdir /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/radacc gmx_mpi mdrun -ei sam.edi -eo radacc.xvg >mdrun.out 2>&1 2366s Comparing column #0 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/radacc/edsam_reference.xvg and radacc.xvg ... all within tolerance of 0 2366s Comparing column #1 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/radacc/edsam_reference.xvg and radacc.xvg ... all within tolerance of 0.05 2366s Checking radius for file radacc.xvg ... all values within tolerance of 1e-05 2366s Checking monotonicity for column 4 of file radacc.xvg ... values of column 4 are increasing monotonically. 2366s Testing radcon . . . 2366s gmx_mpi grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/radcon/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/radcon/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/radcon/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/radcon/topol -maxwarn 2 >grompp.out 2>grompp.err 2367s echo 0 0 | gmx_mpi make_edi -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/radcon/eigenvec.trr -outfrq 1 -radcon 1-2 -tar /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/radcon/target.pdb -o sam.edi 1>make_edi.out 2>make_edi.err 2367s mpirun -np 4 -wdir /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/radcon gmx_mpi mdrun -ei sam.edi -eo radcon.xvg >mdrun.out 2>&1 2367s Comparing column #0 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/radcon/edsam_reference.xvg and radcon.xvg ... all within tolerance of 0 2367s Comparing column #1 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/radcon/edsam_reference.xvg and radcon.xvg ... all within tolerance of 0.05 2367s Checking radius for file radcon.xvg ... all values within tolerance of 1e-05 2367s Checking monotonicity for column 4 of file radcon.xvg ... values of column 4 are decreasing monotonically. 2367s Testing flooding1 . . . 2367s gmx_mpi grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding1/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding1/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding1/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding1/topol -maxwarn 2 >grompp.out 2>grompp.err 2367s mpirun -np 4 -wdir /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding1 gmx_mpi mdrun -ei /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding1/sam.edi -eo flooding1.xvg >mdrun.out 2>&1 2387s Comparing column #0 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 0 2387s Comparing column #1 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 2387s Comparing column #2 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 2387s Comparing column #3 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 2387s Comparing column #4 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 2387s Comparing column #5 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 2387s Comparing column #6 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 2387s Comparing column #7 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 2387s Testing flooding2 . . . 2387s gmx_mpi grompp -f /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding2/grompp.mdp -c /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding2/conf -r /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding2/conf -p /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding2/topol -maxwarn 2 >grompp.out 2>grompp.err 2387s mpirun -np 4 -wdir /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding2 gmx_mpi mdrun -ei /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding2/sam.edi -eo flooding2.xvg >mdrun.out 2>&1 2407s Comparing column #0 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0 2407s Comparing column #1 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.05 2407s Comparing column #2 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.025 2407s Comparing column #3 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 250 2407s Comparing column #4 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 1000 2407s Comparing column #5 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.025 2407s Comparing column #6 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 250 2407s Comparing column #7 of .xvg files /tmp/autopkgtest.EALB8F/build.lQs/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 1000 2407s All 7 essential dynamics tests PASSED 2407s Cleaning acetonitrilRF 2407s Cleaning aminoacids 2407s Cleaning argon 2407s Cleaning awh_multibias 2407s Cleaning awh_multidim 2407s Cleaning butane 2407s Cleaning cbt 2407s Cleaning dd121 2407s Cleaning dec+water 2407s Cleaning distance_restraints 2407s Cleaning ethyleenglycol 2407s Cleaning field 2407s Cleaning nacl 2407s Cleaning nbnxn-energy-groups 2407s Cleaning nbnxn-free-energy 2407s Cleaning nbnxn-free-energy-vv 2407s Cleaning nbnxn-ljpme-geometric 2407s Cleaning nbnxn-ljpme-LB 2407s Cleaning nbnxn-ljpme-LB-geometric 2407s Cleaning nbnxn-vdw-force-switch 2407s Cleaning nbnxn-vdw-potential-switch 2407s Cleaning nbnxn-vdw-potential-switch-argon 2407s Cleaning nbnxn_pme 2407s Cleaning nbnxn_pme_order5 2407s Cleaning nbnxn_pme_order6 2407s Cleaning nbnxn_rf 2407s Cleaning nbnxn_rzero 2407s Cleaning nbnxn_vsite 2407s Cleaning nst_mismatch 2407s Cleaning octahedron 2407s Cleaning orientation-restraints 2407s Cleaning position-restraints 2407s Cleaning pr-vrescale 2407s Cleaning pull_constraint 2407s Cleaning pull_cylinder 2407s Cleaning pull_geometry_angle 2407s Cleaning pull_geometry_angle-axis 2407s Cleaning pull_geometry_dihedral 2407s Cleaning reb 2407s Cleaning sw 2407s Cleaning swap_x 2407s Cleaning swap_y 2407s Cleaning swap_z 2407s Cleaning tip4p 2407s Cleaning tip4p_continue 2407s Cleaning tip4pflex 2407s Cleaning urea 2407s Cleaning walls 2407s Cleaning flooding1 2407s Cleaning flooding2 2407s Cleaning linacc 2407s Cleaning linfix 2407s Cleaning radacc 2407s Cleaning radcon 2407s Cleaning radfix 2408s autopkgtest [23:12:55]: test gromacs-regressiontests: -----------------------] 2408s gromacs-regressiontests PASS 2408s autopkgtest [23:12:55]: test gromacs-regressiontests: - - - - - - - - - - results - - - - - - - - - - 2408s autopkgtest [23:12:55]: @@@@@@@@@@@@@@@@@@@@ summary 2408s gromacs-regressiontests-flaky SKIP Test lists explicitly supported architectures, but the current architecture arm64 isn't listed. 2408s gromacs-regressiontests-flaky SKIP Test lists explicitly supported architectures, but the current architecture arm64 isn't listed. 2408s gromacs-regressiontests PASS 2412s nova [W] Using flock in prodstack7-arm64 2412s Creating nova instance adt-questing-arm64-gromacs-20250501-223247-juju-7f2275-prod-proposed-migration-environment-2-b42c1dd1-95d7-4a60-b7e1-2fb45bfc2b95 from image adt/ubuntu-questing-arm64-server-20250501.img (UUID 137c3127-57d2-4bf2-a106-d904ad6e43f4)... 2412s nova [W] Timed out waiting for 58f460f3-c3d1-4c6d-80d4-75bd8c30d334 to get deleted.