0s autopkgtest [22:52:39]: starting date and time: 2025-05-01 22:52:39+0000 0s autopkgtest [22:52:39]: git checkout: 9986aa8c Merge branch 'skia/fix_network_interface' into 'ubuntu/production' 0s autopkgtest [22:52:39]: host juju-7f2275-prod-proposed-migration-environment-23; command line: /home/ubuntu/autopkgtest/runner/autopkgtest --output-dir /tmp/autopkgtest-work.4fylgsmq/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 builder-cpu2-ram4-disk20 --security-groups autopkgtest-juju-7f2275-prod-proposed-migration-environment-23@bos03-5.secgroup --name adt-questing-amd64-gromacs-20250501-225239-juju-7f2275-prod-proposed-migration-environment-23-4c6b5f87-ea3e-41e9-8e75-b40e6b73ce85 --image adt/ubuntu-questing-amd64-server --keyname testbed-juju-7f2275-prod-proposed-migration-environment-23 --net-id=net_prod-proposed-migration-amd64 -e TERM=linux --mirror=http://ftpmaster.internal/ubuntu/ 63s autopkgtest [22:53:42]: testbed dpkg architecture: amd64 63s autopkgtest [22:53:42]: testbed apt version: 3.0.0 63s autopkgtest [22:53:42]: @@@@@@@@@@@@@@@@@@@@ test bed setup 64s autopkgtest [22:53:43]: testbed release detected to be: None 64s autopkgtest [22:53:43]: updating testbed package index (apt update) 65s Get:1 http://ftpmaster.internal/ubuntu questing-proposed InRelease [110 kB] 65s Hit:2 http://ftpmaster.internal/ubuntu questing InRelease 65s Hit:3 http://ftpmaster.internal/ubuntu questing-updates InRelease 65s Hit:4 http://ftpmaster.internal/ubuntu questing-security InRelease 65s Get:5 http://ftpmaster.internal/ubuntu questing-proposed/multiverse Sources [57.4 kB] 65s Get:6 http://ftpmaster.internal/ubuntu questing-proposed/main Sources [179 kB] 65s Get:7 http://ftpmaster.internal/ubuntu questing-proposed/universe Sources [2255 kB] 66s Get:8 http://ftpmaster.internal/ubuntu questing-proposed/main amd64 Packages [208 kB] 66s Get:9 http://ftpmaster.internal/ubuntu questing-proposed/main i386 Packages [157 kB] 66s Get:10 http://ftpmaster.internal/ubuntu questing-proposed/universe i386 Packages [382 kB] 66s Get:11 http://ftpmaster.internal/ubuntu questing-proposed/universe amd64 Packages [765 kB] 66s Get:12 http://ftpmaster.internal/ubuntu questing-proposed/multiverse i386 Packages [6544 B] 66s Get:13 http://ftpmaster.internal/ubuntu questing-proposed/multiverse amd64 Packages [3312 B] 67s Fetched 4123 kB in 2s (2037 kB/s) 68s Reading package lists... 68s autopkgtest [22:53:47]: upgrading testbed (apt dist-upgrade and autopurge) 68s Reading package lists... 69s Building dependency tree... 69s Reading state information... 69s Calculating upgrade...Starting pkgProblemResolver with broken count: 0 69s Starting 2 pkgProblemResolver with broken count: 0 69s Done 70s Entering ResolveByKeep 70s 70s Calculating upgrade... 70s The following packages will be upgraded: 70s dpkg dpkg-dev libdpkg-perl 70s 3 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. 70s Need to get 2676 kB of archives. 70s After this operation, 130 kB disk space will be freed. 70s Get:1 http://ftpmaster.internal/ubuntu questing/main amd64 dpkg amd64 1.22.18ubuntu3 [1306 kB] 71s Get:2 http://ftpmaster.internal/ubuntu questing/main amd64 dpkg-dev all 1.22.18ubuntu3 [1089 kB] 71s Get:3 http://ftpmaster.internal/ubuntu questing/main amd64 libdpkg-perl all 1.22.18ubuntu3 [281 kB] 72s Fetched 2676 kB in 1s (2755 kB/s) 72s (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 ... 80514 files and directories currently installed.) 72s Preparing to unpack .../dpkg_1.22.18ubuntu3_amd64.deb ... 72s Unpacking dpkg (1.22.18ubuntu3) over (1.22.18ubuntu2) ... 72s Setting up dpkg (1.22.18ubuntu3) ... 73s (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 ... 80514 files and directories currently installed.) 73s Preparing to unpack .../dpkg-dev_1.22.18ubuntu3_all.deb ... 73s Unpacking dpkg-dev (1.22.18ubuntu3) over (1.22.18ubuntu2) ... 73s Preparing to unpack .../libdpkg-perl_1.22.18ubuntu3_all.deb ... 73s Unpacking libdpkg-perl (1.22.18ubuntu3) over (1.22.18ubuntu2) ... 73s Setting up libdpkg-perl (1.22.18ubuntu3) ... 73s Setting up dpkg-dev (1.22.18ubuntu3) ... 73s Processing triggers for man-db (2.13.0-1) ... 75s Reading package lists... 76s Building dependency tree... 76s Reading state information... 76s Starting pkgProblemResolver with broken count: 0 76s Starting 2 pkgProblemResolver with broken count: 0 76s Done 76s Solving dependencies... 76s 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. 77s autopkgtest [22:53:56]: rebooting testbed after setup commands that affected boot 100s autopkgtest [22:54:19]: testbed running kernel: Linux 6.14.0-15-generic #15-Ubuntu SMP PREEMPT_DYNAMIC Sun Apr 6 15:05:05 UTC 2025 102s autopkgtest [22:54:21]: @@@@@@@@@@@@@@@@@@@@ apt-source gromacs 117s Get:1 http://ftpmaster.internal/ubuntu questing/universe gromacs 2025.0-2 (dsc) [3276 B] 117s Get:2 http://ftpmaster.internal/ubuntu questing/universe gromacs 2025.0-2 (tar) [32.7 MB] 117s Get:3 http://ftpmaster.internal/ubuntu questing/universe gromacs 2025.0-2 (tar) [44.4 MB] 117s Get:4 http://ftpmaster.internal/ubuntu questing/universe gromacs 2025.0-2 (diff) [37.2 kB] 118s gpgv: Signature made Sat Feb 15 18:26:26 2025 UTC 118s gpgv: using RSA key 843E5FA61E6063389876D2E5EE4AFD69EC65108F 118s gpgv: issuer "nbreen@debian.org" 118s gpgv: Can't check signature: No public key 118s dpkg-source: warning: cannot verify inline signature for ./gromacs_2025.0-2.dsc: no acceptable signature found 120s autopkgtest [22:54:39]: testing package gromacs version 2025.0-2 121s autopkgtest [22:54:40]: build not needed 133s autopkgtest [22:54:52]: test gromacs-regressiontests: preparing testbed 133s Reading package lists... 133s Building dependency tree... 133s Reading state information... 133s Starting pkgProblemResolver with broken count: 0 133s Starting 2 pkgProblemResolver with broken count: 0 133s Done 134s The following NEW packages will be installed: 134s build-essential cpp cpp-14 cpp-14-x86-64-linux-gnu cpp-x86-64-linux-gnu 134s fonts-mathjax g++ g++-14 g++-14-x86-64-linux-gnu g++-x86-64-linux-gnu gcc 134s gcc-14 gcc-14-x86-64-linux-gnu gcc-x86-64-linux-gnu gromacs gromacs-data 134s isa-support libamd-comgr2 libamdhip64-5 libasan8 libblas3 libcc1-0 134s libevent-pthreads-2.1-7t64 libfabric1 libfftw3-bin libfftw3-dev 134s libfftw3-double3 libfftw3-long3 libfftw3-quad3 libfftw3-single3 134s libgcc-14-dev libgfortran5 libgomp1 libgromacs-dev libgromacs10 134s libhsa-runtime64-1 libhsakmt1 libhwasan0 libhwloc-plugins libhwloc15 134s libibmad5 libibumad3 libisl23 libitm1 libjs-mathjax liblapack3 libllvm17t64 134s liblsan0 libmpc3 libmunge2 libmuparser2v5 libnblib-gmx-dev libnblib-gmx0 134s libopenmpi40 libpciaccess0 libpmix2t64 libpsm-infinipath1 libpsm2-2 134s libquadmath0 librdmacm1t64 libstdc++-14-dev libtsan2 libubsan1 libucx0 134s libxnvctrl0 mpi-default-bin ocl-icd-libopencl1 openmpi-bin openmpi-common 134s sse4.2-support 134s 0 upgraded, 70 newly installed, 0 to remove and 0 not upgraded. 134s Need to get 219 MB of archives. 134s After this operation, 975 MB of additional disk space will be used. 134s Get:1 http://ftpmaster.internal/ubuntu questing-proposed/main amd64 isa-support amd64 27 [16.1 kB] 134s Get:2 http://ftpmaster.internal/ubuntu questing-proposed/main amd64 sse4.2-support amd64 27 [3668 B] 134s Get:3 http://ftpmaster.internal/ubuntu questing/main amd64 libisl23 amd64 0.27-1 [685 kB] 135s Get:4 http://ftpmaster.internal/ubuntu questing/main amd64 libmpc3 amd64 1.3.1-1build2 [55.3 kB] 135s Get:5 http://ftpmaster.internal/ubuntu questing/main amd64 cpp-14-x86-64-linux-gnu amd64 14.2.0-19ubuntu2 [11.9 MB] 136s Get:6 http://ftpmaster.internal/ubuntu questing/main amd64 cpp-14 amd64 14.2.0-19ubuntu2 [1030 B] 136s Get:7 http://ftpmaster.internal/ubuntu questing/main amd64 cpp-x86-64-linux-gnu amd64 4:14.2.0-1ubuntu1 [5586 B] 136s Get:8 http://ftpmaster.internal/ubuntu questing/main amd64 cpp amd64 4:14.2.0-1ubuntu1 [22.4 kB] 136s Get:9 http://ftpmaster.internal/ubuntu questing/main amd64 libcc1-0 amd64 15-20250404-0ubuntu1 [47.1 kB] 136s Get:10 http://ftpmaster.internal/ubuntu questing/main amd64 libgomp1 amd64 15-20250404-0ubuntu1 [151 kB] 136s Get:11 http://ftpmaster.internal/ubuntu questing/main amd64 libitm1 amd64 15-20250404-0ubuntu1 [29.5 kB] 136s Get:12 http://ftpmaster.internal/ubuntu questing/main amd64 libasan8 amd64 15-20250404-0ubuntu1 [3076 kB] 136s Get:13 http://ftpmaster.internal/ubuntu questing/main amd64 liblsan0 amd64 15-20250404-0ubuntu1 [1362 kB] 137s Get:14 http://ftpmaster.internal/ubuntu questing/main amd64 libtsan2 amd64 15-20250404-0ubuntu1 [2760 kB] 137s Get:15 http://ftpmaster.internal/ubuntu questing/main amd64 libubsan1 amd64 15-20250404-0ubuntu1 [1211 kB] 137s Get:16 http://ftpmaster.internal/ubuntu questing/main amd64 libhwasan0 amd64 15-20250404-0ubuntu1 [1687 kB] 137s Get:17 http://ftpmaster.internal/ubuntu questing/main amd64 libquadmath0 amd64 15-20250404-0ubuntu1 [153 kB] 137s Get:18 http://ftpmaster.internal/ubuntu questing/main amd64 libgcc-14-dev amd64 14.2.0-19ubuntu2 [2815 kB] 138s Get:19 http://ftpmaster.internal/ubuntu questing/main amd64 gcc-14-x86-64-linux-gnu amd64 14.2.0-19ubuntu2 [23.3 MB] 140s Get:20 http://ftpmaster.internal/ubuntu questing/main amd64 gcc-14 amd64 14.2.0-19ubuntu2 [540 kB] 140s Get:21 http://ftpmaster.internal/ubuntu questing/main amd64 gcc-x86-64-linux-gnu amd64 4:14.2.0-1ubuntu1 [1208 B] 140s Get:22 http://ftpmaster.internal/ubuntu questing/main amd64 gcc amd64 4:14.2.0-1ubuntu1 [5004 B] 140s Get:23 http://ftpmaster.internal/ubuntu questing/main amd64 libstdc++-14-dev amd64 14.2.0-19ubuntu2 [2510 kB] 140s Get:24 http://ftpmaster.internal/ubuntu questing/main amd64 g++-14-x86-64-linux-gnu amd64 14.2.0-19ubuntu2 [13.4 MB] 142s Get:25 http://ftpmaster.internal/ubuntu questing/main amd64 g++-14 amd64 14.2.0-19ubuntu2 [23.0 kB] 142s Get:26 http://ftpmaster.internal/ubuntu questing/main amd64 g++-x86-64-linux-gnu amd64 4:14.2.0-1ubuntu1 [968 B] 142s Get:27 http://ftpmaster.internal/ubuntu questing/main amd64 g++ amd64 4:14.2.0-1ubuntu1 [1100 B] 142s Get:28 http://ftpmaster.internal/ubuntu questing/main amd64 build-essential amd64 12.12ubuntu1 [5080 B] 142s Get:29 http://ftpmaster.internal/ubuntu questing/main amd64 fonts-mathjax all 2.7.9+dfsg-1 [2208 kB] 142s Get:30 http://ftpmaster.internal/ubuntu questing/universe amd64 libllvm17t64 amd64 1:17.0.6-21 [26.0 MB] 145s Get:31 http://ftpmaster.internal/ubuntu questing/universe amd64 libamd-comgr2 amd64 6.0+git20231212.4510c28+dfsg-3build2 [14.4 MB] 146s Get:32 http://ftpmaster.internal/ubuntu questing/universe amd64 libhsakmt1 amd64 5.7.0-1build1 [62.9 kB] 146s Get:33 http://ftpmaster.internal/ubuntu questing/universe amd64 libhsa-runtime64-1 amd64 5.7.1-2build1 [491 kB] 146s Get:34 http://ftpmaster.internal/ubuntu questing/universe amd64 libamdhip64-5 amd64 5.7.1-5build1 [9702 kB] 147s Get:35 http://ftpmaster.internal/ubuntu questing/main amd64 libblas3 amd64 3.12.1-2 [359 kB] 147s Get:36 http://ftpmaster.internal/ubuntu questing/main amd64 libevent-pthreads-2.1-7t64 amd64 2.1.12-stable-10 [7966 B] 147s Get:37 http://ftpmaster.internal/ubuntu questing/universe amd64 libpsm-infinipath1 amd64 3.3+20.604758e7-6.3build1 [178 kB] 147s Get:38 http://ftpmaster.internal/ubuntu questing/universe amd64 libpsm2-2 amd64 11.2.185-2.1 [193 kB] 147s Get:39 http://ftpmaster.internal/ubuntu questing/main amd64 librdmacm1t64 amd64 56.0-4ubuntu1 [71.5 kB] 147s Get:40 http://ftpmaster.internal/ubuntu questing/universe amd64 libfabric1 amd64 1.17.0-3.1 [789 kB] 147s Get:41 http://ftpmaster.internal/ubuntu questing/main amd64 libfftw3-double3 amd64 3.3.10-2fakesync1build1 [839 kB] 147s Get:42 http://ftpmaster.internal/ubuntu questing/main amd64 libfftw3-long3 amd64 3.3.10-2fakesync1build1 [378 kB] 147s Get:43 http://ftpmaster.internal/ubuntu questing/main amd64 libfftw3-quad3 amd64 3.3.10-2fakesync1build1 [669 kB] 147s Get:44 http://ftpmaster.internal/ubuntu questing/main amd64 libfftw3-single3 amd64 3.3.10-2fakesync1build1 [871 kB] 147s Get:45 http://ftpmaster.internal/ubuntu questing/main amd64 libfftw3-bin amd64 3.3.10-2fakesync1build1 [39.2 kB] 147s Get:46 http://ftpmaster.internal/ubuntu questing/main amd64 libfftw3-dev amd64 3.3.10-2fakesync1build1 [2349 kB] 147s Get:47 http://ftpmaster.internal/ubuntu questing/main amd64 libgfortran5 amd64 15-20250404-0ubuntu1 [926 kB] 147s Get:48 http://ftpmaster.internal/ubuntu questing/universe amd64 libhwloc15 amd64 2.12.0-1 [194 kB] 147s Get:49 http://ftpmaster.internal/ubuntu questing/main amd64 liblapack3 amd64 3.12.1-2 [3179 kB] 147s Get:50 http://ftpmaster.internal/ubuntu questing/universe amd64 libmuparser2v5 amd64 2.3.4-1 [137 kB] 147s Get:51 http://ftpmaster.internal/ubuntu questing/universe amd64 libmunge2 amd64 0.5.16-1 [16.5 kB] 147s Get:52 http://ftpmaster.internal/ubuntu questing/main amd64 libpciaccess0 amd64 0.17-3build1 [18.6 kB] 147s Get:53 http://ftpmaster.internal/ubuntu questing/main amd64 libxnvctrl0 amd64 510.47.03-0ubuntu4 [12.6 kB] 147s Get:54 http://ftpmaster.internal/ubuntu questing/universe amd64 ocl-icd-libopencl1 amd64 2.3.2-1build1 [38.5 kB] 147s Get:55 http://ftpmaster.internal/ubuntu questing/universe amd64 libhwloc-plugins amd64 2.12.0-1 [16.0 kB] 147s Get:56 http://ftpmaster.internal/ubuntu questing/universe amd64 libpmix2t64 amd64 5.0.6-5 [714 kB] 147s Get:57 http://ftpmaster.internal/ubuntu questing/main amd64 libibumad3 amd64 56.0-4ubuntu1 [31.2 kB] 147s Get:58 http://ftpmaster.internal/ubuntu questing/main amd64 libibmad5 amd64 56.0-4ubuntu1 [43.9 kB] 147s Get:59 http://ftpmaster.internal/ubuntu questing/universe amd64 libucx0 amd64 1.18.1+ds-2 [1293 kB] 147s Get:60 http://ftpmaster.internal/ubuntu questing/universe amd64 libopenmpi40 amd64 5.0.7-1 [2526 kB] 147s Get:61 http://ftpmaster.internal/ubuntu questing/universe amd64 libgromacs10 amd64 2025.0-2 [34.3 MB] 149s Get:62 http://ftpmaster.internal/ubuntu questing/universe amd64 libnblib-gmx0 amd64 2025.0-2 [338 kB] 149s Get:63 http://ftpmaster.internal/ubuntu questing/universe amd64 libnblib-gmx-dev amd64 2025.0-2 [26.2 kB] 149s Get:64 http://ftpmaster.internal/ubuntu questing/universe amd64 openmpi-common all 5.0.7-1 [97.9 kB] 149s Get:65 http://ftpmaster.internal/ubuntu questing/universe amd64 openmpi-bin amd64 5.0.7-1 [192 kB] 149s Get:66 http://ftpmaster.internal/ubuntu questing/main amd64 libjs-mathjax all 2.7.9+dfsg-1 [5665 kB] 149s Get:67 http://ftpmaster.internal/ubuntu questing/universe amd64 gromacs-data all 2025.0-2 [43.8 MB] 151s Get:68 http://ftpmaster.internal/ubuntu questing/universe amd64 gromacs amd64 2025.0-2 [55.6 kB] 151s Get:69 http://ftpmaster.internal/ubuntu questing/universe amd64 libgromacs-dev amd64 2025.0-2 [170 kB] 151s Get:70 http://ftpmaster.internal/ubuntu questing/universe amd64 mpi-default-bin amd64 1.18 [2510 B] 152s Preconfiguring packages ... 152s Fetched 219 MB in 18s (12.4 MB/s) 152s Selecting previously unselected package isa-support:amd64. 152s (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 ... 80514 files and directories currently installed.) 152s Preparing to unpack .../isa-support_27_amd64.deb ... 152s Unpacking isa-support:amd64 (27) ... 153s Setting up isa-support:amd64 (27) ... 153s Selecting previously unselected package sse4.2-support. 153s (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 ... 80535 files and directories currently installed.) 153s Preparing to unpack .../00-sse4.2-support_27_amd64.deb ... 153s Unpacking sse4.2-support (27) ... 153s Selecting previously unselected package libisl23:amd64. 153s Preparing to unpack .../01-libisl23_0.27-1_amd64.deb ... 153s Unpacking libisl23:amd64 (0.27-1) ... 153s Selecting previously unselected package libmpc3:amd64. 153s Preparing to unpack .../02-libmpc3_1.3.1-1build2_amd64.deb ... 153s Unpacking libmpc3:amd64 (1.3.1-1build2) ... 153s Selecting previously unselected package cpp-14-x86-64-linux-gnu. 153s Preparing to unpack .../03-cpp-14-x86-64-linux-gnu_14.2.0-19ubuntu2_amd64.deb ... 153s Unpacking cpp-14-x86-64-linux-gnu (14.2.0-19ubuntu2) ... 153s Selecting previously unselected package cpp-14. 153s Preparing to unpack .../04-cpp-14_14.2.0-19ubuntu2_amd64.deb ... 153s Unpacking cpp-14 (14.2.0-19ubuntu2) ... 153s Selecting previously unselected package cpp-x86-64-linux-gnu. 153s Preparing to unpack .../05-cpp-x86-64-linux-gnu_4%3a14.2.0-1ubuntu1_amd64.deb ... 153s Unpacking cpp-x86-64-linux-gnu (4:14.2.0-1ubuntu1) ... 153s Selecting previously unselected package cpp. 153s Preparing to unpack .../06-cpp_4%3a14.2.0-1ubuntu1_amd64.deb ... 153s Unpacking cpp (4:14.2.0-1ubuntu1) ... 153s Selecting previously unselected package libcc1-0:amd64. 153s Preparing to unpack .../07-libcc1-0_15-20250404-0ubuntu1_amd64.deb ... 153s Unpacking libcc1-0:amd64 (15-20250404-0ubuntu1) ... 153s Selecting previously unselected package libgomp1:amd64. 153s Preparing to unpack .../08-libgomp1_15-20250404-0ubuntu1_amd64.deb ... 153s Unpacking libgomp1:amd64 (15-20250404-0ubuntu1) ... 153s Selecting previously unselected package libitm1:amd64. 153s Preparing to unpack .../09-libitm1_15-20250404-0ubuntu1_amd64.deb ... 153s Unpacking libitm1:amd64 (15-20250404-0ubuntu1) ... 153s Selecting previously unselected package libasan8:amd64. 153s Preparing to unpack .../10-libasan8_15-20250404-0ubuntu1_amd64.deb ... 153s Unpacking libasan8:amd64 (15-20250404-0ubuntu1) ... 153s Selecting previously unselected package liblsan0:amd64. 153s Preparing to unpack .../11-liblsan0_15-20250404-0ubuntu1_amd64.deb ... 153s Unpacking liblsan0:amd64 (15-20250404-0ubuntu1) ... 153s Selecting previously unselected package libtsan2:amd64. 153s Preparing to unpack .../12-libtsan2_15-20250404-0ubuntu1_amd64.deb ... 153s Unpacking libtsan2:amd64 (15-20250404-0ubuntu1) ... 153s Selecting previously unselected package libubsan1:amd64. 153s Preparing to unpack .../13-libubsan1_15-20250404-0ubuntu1_amd64.deb ... 153s Unpacking libubsan1:amd64 (15-20250404-0ubuntu1) ... 153s Selecting previously unselected package libhwasan0:amd64. 153s Preparing to unpack .../14-libhwasan0_15-20250404-0ubuntu1_amd64.deb ... 153s Unpacking libhwasan0:amd64 (15-20250404-0ubuntu1) ... 154s Selecting previously unselected package libquadmath0:amd64. 154s Preparing to unpack .../15-libquadmath0_15-20250404-0ubuntu1_amd64.deb ... 154s Unpacking libquadmath0:amd64 (15-20250404-0ubuntu1) ... 154s Selecting previously unselected package libgcc-14-dev:amd64. 154s Preparing to unpack .../16-libgcc-14-dev_14.2.0-19ubuntu2_amd64.deb ... 154s Unpacking libgcc-14-dev:amd64 (14.2.0-19ubuntu2) ... 154s Selecting previously unselected package gcc-14-x86-64-linux-gnu. 154s Preparing to unpack .../17-gcc-14-x86-64-linux-gnu_14.2.0-19ubuntu2_amd64.deb ... 154s Unpacking gcc-14-x86-64-linux-gnu (14.2.0-19ubuntu2) ... 154s Selecting previously unselected package gcc-14. 154s Preparing to unpack .../18-gcc-14_14.2.0-19ubuntu2_amd64.deb ... 154s Unpacking gcc-14 (14.2.0-19ubuntu2) ... 154s Selecting previously unselected package gcc-x86-64-linux-gnu. 154s Preparing to unpack .../19-gcc-x86-64-linux-gnu_4%3a14.2.0-1ubuntu1_amd64.deb ... 154s Unpacking gcc-x86-64-linux-gnu (4:14.2.0-1ubuntu1) ... 154s Selecting previously unselected package gcc. 154s Preparing to unpack .../20-gcc_4%3a14.2.0-1ubuntu1_amd64.deb ... 154s Unpacking gcc (4:14.2.0-1ubuntu1) ... 154s Selecting previously unselected package libstdc++-14-dev:amd64. 154s Preparing to unpack .../21-libstdc++-14-dev_14.2.0-19ubuntu2_amd64.deb ... 154s Unpacking libstdc++-14-dev:amd64 (14.2.0-19ubuntu2) ... 154s Selecting previously unselected package g++-14-x86-64-linux-gnu. 154s Preparing to unpack .../22-g++-14-x86-64-linux-gnu_14.2.0-19ubuntu2_amd64.deb ... 154s Unpacking g++-14-x86-64-linux-gnu (14.2.0-19ubuntu2) ... 155s Selecting previously unselected package g++-14. 155s Preparing to unpack .../23-g++-14_14.2.0-19ubuntu2_amd64.deb ... 155s Unpacking g++-14 (14.2.0-19ubuntu2) ... 155s Selecting previously unselected package g++-x86-64-linux-gnu. 155s Preparing to unpack .../24-g++-x86-64-linux-gnu_4%3a14.2.0-1ubuntu1_amd64.deb ... 155s Unpacking g++-x86-64-linux-gnu (4:14.2.0-1ubuntu1) ... 155s Selecting previously unselected package g++. 155s Preparing to unpack .../25-g++_4%3a14.2.0-1ubuntu1_amd64.deb ... 155s Unpacking g++ (4:14.2.0-1ubuntu1) ... 155s Selecting previously unselected package build-essential. 155s Preparing to unpack .../26-build-essential_12.12ubuntu1_amd64.deb ... 155s Unpacking build-essential (12.12ubuntu1) ... 155s Selecting previously unselected package fonts-mathjax. 155s Preparing to unpack .../27-fonts-mathjax_2.7.9+dfsg-1_all.deb ... 155s Unpacking fonts-mathjax (2.7.9+dfsg-1) ... 155s Selecting previously unselected package libllvm17t64:amd64. 155s Preparing to unpack .../28-libllvm17t64_1%3a17.0.6-21_amd64.deb ... 155s Unpacking libllvm17t64:amd64 (1:17.0.6-21) ... 156s Selecting previously unselected package libamd-comgr2:amd64. 156s Preparing to unpack .../29-libamd-comgr2_6.0+git20231212.4510c28+dfsg-3build2_amd64.deb ... 156s Unpacking libamd-comgr2:amd64 (6.0+git20231212.4510c28+dfsg-3build2) ... 156s Selecting previously unselected package libhsakmt1:amd64. 156s Preparing to unpack .../30-libhsakmt1_5.7.0-1build1_amd64.deb ... 156s Unpacking libhsakmt1:amd64 (5.7.0-1build1) ... 156s Selecting previously unselected package libhsa-runtime64-1. 156s Preparing to unpack .../31-libhsa-runtime64-1_5.7.1-2build1_amd64.deb ... 156s Unpacking libhsa-runtime64-1 (5.7.1-2build1) ... 156s Selecting previously unselected package libamdhip64-5. 156s Preparing to unpack .../32-libamdhip64-5_5.7.1-5build1_amd64.deb ... 156s Unpacking libamdhip64-5 (5.7.1-5build1) ... 156s Selecting previously unselected package libblas3:amd64. 156s Preparing to unpack .../33-libblas3_3.12.1-2_amd64.deb ... 156s Unpacking libblas3:amd64 (3.12.1-2) ... 156s Selecting previously unselected package libevent-pthreads-2.1-7t64:amd64. 156s Preparing to unpack .../34-libevent-pthreads-2.1-7t64_2.1.12-stable-10_amd64.deb ... 156s Unpacking libevent-pthreads-2.1-7t64:amd64 (2.1.12-stable-10) ... 156s Selecting previously unselected package libpsm-infinipath1. 156s Preparing to unpack .../35-libpsm-infinipath1_3.3+20.604758e7-6.3build1_amd64.deb ... 156s Unpacking libpsm-infinipath1 (3.3+20.604758e7-6.3build1) ... 156s Selecting previously unselected package libpsm2-2. 156s Preparing to unpack .../36-libpsm2-2_11.2.185-2.1_amd64.deb ... 156s Unpacking libpsm2-2 (11.2.185-2.1) ... 156s Selecting previously unselected package librdmacm1t64:amd64. 156s Preparing to unpack .../37-librdmacm1t64_56.0-4ubuntu1_amd64.deb ... 156s Unpacking librdmacm1t64:amd64 (56.0-4ubuntu1) ... 156s Selecting previously unselected package libfabric1:amd64. 156s Preparing to unpack .../38-libfabric1_1.17.0-3.1_amd64.deb ... 156s Unpacking libfabric1:amd64 (1.17.0-3.1) ... 156s Selecting previously unselected package libfftw3-double3:amd64. 156s Preparing to unpack .../39-libfftw3-double3_3.3.10-2fakesync1build1_amd64.deb ... 156s Unpacking libfftw3-double3:amd64 (3.3.10-2fakesync1build1) ... 157s Selecting previously unselected package libfftw3-long3:amd64. 157s Preparing to unpack .../40-libfftw3-long3_3.3.10-2fakesync1build1_amd64.deb ... 157s Unpacking libfftw3-long3:amd64 (3.3.10-2fakesync1build1) ... 157s Selecting previously unselected package libfftw3-quad3:amd64. 157s Preparing to unpack .../41-libfftw3-quad3_3.3.10-2fakesync1build1_amd64.deb ... 157s Unpacking libfftw3-quad3:amd64 (3.3.10-2fakesync1build1) ... 157s Selecting previously unselected package libfftw3-single3:amd64. 157s Preparing to unpack .../42-libfftw3-single3_3.3.10-2fakesync1build1_amd64.deb ... 157s Unpacking libfftw3-single3:amd64 (3.3.10-2fakesync1build1) ... 157s Selecting previously unselected package libfftw3-bin. 157s Preparing to unpack .../43-libfftw3-bin_3.3.10-2fakesync1build1_amd64.deb ... 157s Unpacking libfftw3-bin (3.3.10-2fakesync1build1) ... 157s Selecting previously unselected package libfftw3-dev:amd64. 157s Preparing to unpack .../44-libfftw3-dev_3.3.10-2fakesync1build1_amd64.deb ... 157s Unpacking libfftw3-dev:amd64 (3.3.10-2fakesync1build1) ... 157s Selecting previously unselected package libgfortran5:amd64. 157s Preparing to unpack .../45-libgfortran5_15-20250404-0ubuntu1_amd64.deb ... 157s Unpacking libgfortran5:amd64 (15-20250404-0ubuntu1) ... 157s Selecting previously unselected package libhwloc15:amd64. 157s Preparing to unpack .../46-libhwloc15_2.12.0-1_amd64.deb ... 157s Unpacking libhwloc15:amd64 (2.12.0-1) ... 157s Selecting previously unselected package liblapack3:amd64. 157s Preparing to unpack .../47-liblapack3_3.12.1-2_amd64.deb ... 157s Unpacking liblapack3:amd64 (3.12.1-2) ... 157s Selecting previously unselected package libmuparser2v5:amd64. 157s Preparing to unpack .../48-libmuparser2v5_2.3.4-1_amd64.deb ... 157s Unpacking libmuparser2v5:amd64 (2.3.4-1) ... 157s Selecting previously unselected package libmunge2:amd64. 157s Preparing to unpack .../49-libmunge2_0.5.16-1_amd64.deb ... 157s Unpacking libmunge2:amd64 (0.5.16-1) ... 157s Selecting previously unselected package libpciaccess0:amd64. 157s Preparing to unpack .../50-libpciaccess0_0.17-3build1_amd64.deb ... 157s Unpacking libpciaccess0:amd64 (0.17-3build1) ... 157s Selecting previously unselected package libxnvctrl0:amd64. 157s Preparing to unpack .../51-libxnvctrl0_510.47.03-0ubuntu4_amd64.deb ... 157s Unpacking libxnvctrl0:amd64 (510.47.03-0ubuntu4) ... 157s Selecting previously unselected package ocl-icd-libopencl1:amd64. 157s Preparing to unpack .../52-ocl-icd-libopencl1_2.3.2-1build1_amd64.deb ... 157s Unpacking ocl-icd-libopencl1:amd64 (2.3.2-1build1) ... 157s Selecting previously unselected package libhwloc-plugins:amd64. 157s Preparing to unpack .../53-libhwloc-plugins_2.12.0-1_amd64.deb ... 157s Unpacking libhwloc-plugins:amd64 (2.12.0-1) ... 157s Selecting previously unselected package libpmix2t64:amd64. 157s Preparing to unpack .../54-libpmix2t64_5.0.6-5_amd64.deb ... 157s Unpacking libpmix2t64:amd64 (5.0.6-5) ... 157s Selecting previously unselected package libibumad3:amd64. 157s Preparing to unpack .../55-libibumad3_56.0-4ubuntu1_amd64.deb ... 157s Unpacking libibumad3:amd64 (56.0-4ubuntu1) ... 157s Selecting previously unselected package libibmad5:amd64. 157s Preparing to unpack .../56-libibmad5_56.0-4ubuntu1_amd64.deb ... 157s Unpacking libibmad5:amd64 (56.0-4ubuntu1) ... 157s Selecting previously unselected package libucx0:amd64. 157s Preparing to unpack .../57-libucx0_1.18.1+ds-2_amd64.deb ... 157s Unpacking libucx0:amd64 (1.18.1+ds-2) ... 157s Selecting previously unselected package libopenmpi40:amd64. 157s Preparing to unpack .../58-libopenmpi40_5.0.7-1_amd64.deb ... 157s Unpacking libopenmpi40:amd64 (5.0.7-1) ... 157s Selecting previously unselected package libgromacs10:amd64. 158s Preparing to unpack .../59-libgromacs10_2025.0-2_amd64.deb ... 158s Unpacking libgromacs10:amd64 (2025.0-2) ... 158s Selecting previously unselected package libnblib-gmx0:amd64. 158s Preparing to unpack .../60-libnblib-gmx0_2025.0-2_amd64.deb ... 158s Unpacking libnblib-gmx0:amd64 (2025.0-2) ... 158s Selecting previously unselected package libnblib-gmx-dev. 158s Preparing to unpack .../61-libnblib-gmx-dev_2025.0-2_amd64.deb ... 158s Unpacking libnblib-gmx-dev (2025.0-2) ... 158s Selecting previously unselected package openmpi-common. 158s Preparing to unpack .../62-openmpi-common_5.0.7-1_all.deb ... 158s Unpacking openmpi-common (5.0.7-1) ... 158s Selecting previously unselected package openmpi-bin. 158s Preparing to unpack .../63-openmpi-bin_5.0.7-1_amd64.deb ... 158s Unpacking openmpi-bin (5.0.7-1) ... 158s Selecting previously unselected package libjs-mathjax. 158s Preparing to unpack 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Setting up libibumad3:amd64 (56.0-4ubuntu1) ... 163s Setting up libibmad5:amd64 (56.0-4ubuntu1) ... 163s Setting up libgomp1:amd64 (15-20250404-0ubuntu1) ... 163s Setting up libxnvctrl0:amd64 (510.47.03-0ubuntu4) ... 163s Setting up libblas3:amd64 (3.12.1-2) ... 163s update-alternatives: using /usr/lib/x86_64-linux-gnu/blas/libblas.so.3 to provide /usr/lib/x86_64-linux-gnu/libblas.so.3 (libblas.so.3-x86_64-linux-gnu) in auto mode 163s Setting up libmunge2:amd64 (0.5.16-1) ... 163s Setting up libllvm17t64:amd64 (1:17.0.6-21) ... 163s Setting up libquadmath0:amd64 (15-20250404-0ubuntu1) ... 163s Setting up libhwloc15:amd64 (2.12.0-1) ... 163s Setting up libmpc3:amd64 (1.3.1-1build2) ... 163s Setting up libfftw3-double3:amd64 (3.3.10-2fakesync1build1) ... 163s Setting up libgfortran5:amd64 (15-20250404-0ubuntu1) ... 163s Setting up libubsan1:amd64 (15-20250404-0ubuntu1) ... 163s Setting up ocl-icd-libopencl1:amd64 (2.3.2-1build1) ... 163s Setting up libhwasan0:amd64 (15-20250404-0ubuntu1) ... 163s Setting up libasan8:amd64 (15-20250404-0ubuntu1) ... 163s Setting up sse4.2-support (27) ... 163s Setting up libpsm2-2 (11.2.185-2.1) ... 163s Setting up openmpi-common (5.0.7-1) ... 163s Setting up librdmacm1t64:amd64 (56.0-4ubuntu1) ... 163s Setting up libamd-comgr2:amd64 (6.0+git20231212.4510c28+dfsg-3build2) ... 163s Setting up libpsm-infinipath1 (3.3+20.604758e7-6.3build1) ... 163s update-alternatives: using /usr/lib/libpsm1/libpsm_infinipath.so.1.16 to provide /usr/lib/x86_64-linux-gnu/libpsm_infinipath.so.1 (libpsm_infinipath.so.1) in auto mode 163s Setting up libmuparser2v5:amd64 (2.3.4-1) ... 163s Setting up libtsan2:amd64 (15-20250404-0ubuntu1) ... 163s Setting up libisl23:amd64 (0.27-1) ... 163s Setting up libcc1-0:amd64 (15-20250404-0ubuntu1) ... 163s Setting up liblsan0:amd64 (15-20250404-0ubuntu1) ... 163s Setting up libhsakmt1:amd64 (5.7.0-1build1) ... 163s Setting up libitm1:amd64 (15-20250404-0ubuntu1) ... 163s Setting up libfabric1:amd64 (1.17.0-3.1) ... 163s Setting up gromacs-data (2025.0-2) ... 163s Setting up liblapack3:amd64 (3.12.1-2) ... 163s update-alternatives: using /usr/lib/x86_64-linux-gnu/lapack/liblapack.so.3 to provide /usr/lib/x86_64-linux-gnu/liblapack.so.3 (liblapack.so.3-x86_64-linux-gnu) in auto mode 163s Setting up libfftw3-single3:amd64 (3.3.10-2fakesync1build1) ... 163s Setting up libfftw3-long3:amd64 (3.3.10-2fakesync1build1) ... 163s Setting up libhwloc-plugins:amd64 (2.12.0-1) ... 163s Setting up libfftw3-quad3:amd64 (3.3.10-2fakesync1build1) ... 163s Setting up cpp-14-x86-64-linux-gnu (14.2.0-19ubuntu2) ... 163s Setting up libpmix2t64:amd64 (5.0.6-5) ... 163s Setting up cpp-14 (14.2.0-19ubuntu2) ... 163s Setting up libhsa-runtime64-1 (5.7.1-2build1) ... 163s Setting up libgcc-14-dev:amd64 (14.2.0-19ubuntu2) ... 163s Setting up libstdc++-14-dev:amd64 (14.2.0-19ubuntu2) ... 163s Setting up cpp-x86-64-linux-gnu (4:14.2.0-1ubuntu1) ... 163s Setting up libfftw3-bin (3.3.10-2fakesync1build1) ... 163s Setting up libamdhip64-5 (5.7.1-5build1) ... 163s Setting up cpp (4:14.2.0-1ubuntu1) ... 163s Setting up gcc-14-x86-64-linux-gnu (14.2.0-19ubuntu2) ... 163s Setting up libfftw3-dev:amd64 (3.3.10-2fakesync1build1) ... 163s Setting up libucx0:amd64 (1.18.1+ds-2) ... 163s Setting up gcc-x86-64-linux-gnu (4:14.2.0-1ubuntu1) ... 163s Setting up gcc-14 (14.2.0-19ubuntu2) ... 163s Setting up g++-14-x86-64-linux-gnu (14.2.0-19ubuntu2) ... 163s Setting up g++-x86-64-linux-gnu (4:14.2.0-1ubuntu1) ... 163s Setting up g++-14 (14.2.0-19ubuntu2) ... 163s Setting up libopenmpi40:amd64 (5.0.7-1) ... 163s Setting up gcc (4:14.2.0-1ubuntu1) ... 163s Setting up g++ (4:14.2.0-1ubuntu1) ... 163s update-alternatives: using /usr/bin/g++ to provide /usr/bin/c++ (c++) in auto mode 163s Setting up libgromacs10:amd64 (2025.0-2) ... 163s Setting up libgromacs-dev (2025.0-2) ... 163s Setting up build-essential (12.12ubuntu1) ... 163s Setting up libnblib-gmx0:amd64 (2025.0-2) ... 163s Setting up openmpi-bin (5.0.7-1) ... 163s update-alternatives: using /usr/bin/mpirun.openmpi to provide /usr/bin/mpirun (mpirun) in auto mode 163s 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 163s update-alternatives: using /usr/bin/mpicc.openmpi to provide /usr/bin/mpicc (mpi) in auto mode 163s Setting up libnblib-gmx-dev (2025.0-2) ... 163s Setting up mpi-default-bin (1.18) ... 163s Setting up gromacs (2025.0-2) ... 163s Processing triggers for man-db (2.13.0-1) ... 164s Processing triggers for libc-bin (2.41-6ubuntu1) ... 167s autopkgtest [22:55:26]: test gromacs-regressiontests: [----------------------- 167s ======================================================== 167s Starting regression tests: basic build, single precision 167s ======================================================== 167s Testing acetonitrilRF . . . gmx grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/acetonitrilRF/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/acetonitrilRF/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/acetonitrilRF/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/acetonitrilRF/topol -maxwarn 10 >grompp.out 2>grompp.err 167s gmx check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/acetonitrilRF/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 167s gmx mdrun -nb cpu -notunepme >mdrun.out 2>&1 167s gmx check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/acetonitrilRF/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 167s gmx check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/acetonitrilRF/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 167s PASSED but check mdp file differences 167s Testing aminoacids . . . gmx grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/aminoacids/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/aminoacids/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/aminoacids/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/aminoacids/topol -maxwarn 10 >grompp.out 2>grompp.err 167s gmx check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/aminoacids/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 167s gmx mdrun -notunepme >mdrun.out 2>&1 168s gmx check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/aminoacids/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 168s gmx check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/aminoacids/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 168s PASSED but check mdp file differences 168s Testing argon . . . gmx grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/argon/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/argon/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/argon/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/argon/topol -maxwarn 10 >grompp.out 2>grompp.err 168s gmx check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/argon/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 168s gmx mdrun -nb cpu -notunepme >mdrun.out 2>&1 168s gmx check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/argon/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 168s gmx check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/argon/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 168s PASSED but check mdp file differences 168s Testing awh_multibias . . . gmx grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/awh_multibias/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/awh_multibias/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/awh_multibias/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/awh_multibias/topol -maxwarn 10 -n /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/awh_multibias/index >grompp.out 2>grompp.err 168s gmx check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/awh_multibias/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 168s gmx mdrun -notunepme -cpi /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/awh_multibias/continue -noappend >mdrun.out 2>&1 168s gmx check -e /tmp/autopkgtest.4sppbz/build.AAw/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 168s gmx check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/awh_multibias/reference_s.trr -f2 traj.part0002.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 168s PASSED but check mdp file differences 168s Testing awh_multidim . . . gmx grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/awh_multidim/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/awh_multidim/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/awh_multidim/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/awh_multidim/topol -maxwarn 10 -n /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/awh_multidim/index >grompp.out 2>grompp.err 168s gmx check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/awh_multidim/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 168s gmx mdrun -notunepme >mdrun.out 2>&1 168s gmx check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/awh_multidim/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 168s gmx check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/awh_multidim/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 168s PASSED but check mdp file differences 168s Testing butane . . . gmx grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/butane/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/butane/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/butane/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/butane/topol -maxwarn 10 >grompp.out 2>grompp.err 168s gmx check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/butane/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 168s gmx mdrun -notunepme >mdrun.out 2>&1 168s gmx check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/butane/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 168s gmx check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/butane/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 168s PASSED but check mdp file differences 168s Testing cbt . . . gmx grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/cbt/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/cbt/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/cbt/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/cbt/topol -maxwarn 10 >grompp.out 2>grompp.err 168s gmx check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/cbt/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 168s gmx mdrun -nb cpu -notunepme >mdrun.out 2>&1 168s gmx check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/cbt/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 168s gmx check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/cbt/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 168s PASSED but check mdp file differences 168s Testing dd121 . . . gmx grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/dd121/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/dd121/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/dd121/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/dd121/topol -maxwarn 10 >grompp.out 2>grompp.err 168s gmx check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/dd121/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 168s gmx mdrun -ntmpi 12 -notunepme >mdrun.out 2>&1 184s gmx check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/dd121/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 184s gmx check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/dd121/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 184s PASSED but check mdp file differences 184s Testing dec+water . . . gmx grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/dec+water/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/dec+water/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/dec+water/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/dec+water/topol -maxwarn 10 >grompp.out 2>grompp.err 184s gmx check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/dec+water/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 184s gmx mdrun -nb cpu -notunepme >mdrun.out 2>&1 184s gmx check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/dec+water/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 184s gmx check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/dec+water/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 184s PASSED but check mdp file differences 184s Testing distance_restraints . . . gmx grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/distance_restraints/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/distance_restraints/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/distance_restraints/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/distance_restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 184s gmx check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/distance_restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 184s gmx mdrun -ntmpi 1 -notunepme >mdrun.out 2>&1 185s gmx check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/distance_restraints/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 185s gmx check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/distance_restraints/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 185s PASSED but check mdp file differences 185s Testing ethyleenglycol . . . gmx grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/ethyleenglycol/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/ethyleenglycol/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/ethyleenglycol/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/ethyleenglycol/topol -maxwarn 10 >grompp.out 2>grompp.err 185s gmx check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/ethyleenglycol/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 185s gmx mdrun -notunepme >mdrun.out 2>&1 185s gmx check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/ethyleenglycol/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 185s gmx check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/ethyleenglycol/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 185s PASSED but check mdp file differences 185s Testing field . . . gmx grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/field/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/field/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/field/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/field/topol -maxwarn 10 >grompp.out 2>grompp.err 185s gmx check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/field/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 185s gmx mdrun -notunepme >mdrun.out 2>&1 185s gmx check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/field/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 185s gmx check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/field/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 185s PASSED but check mdp file differences 185s Testing nacl . . . gmx grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nacl/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nacl/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nacl/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nacl/topol -maxwarn 10 >grompp.out 2>grompp.err 186s gmx check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nacl/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 186s gmx mdrun -notunepme >mdrun.out 2>&1 186s gmx check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nacl/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 186s gmx check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nacl/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 186s PASSED but check mdp file differences 186s Testing nbnxn-energy-groups . . . gmx grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-energy-groups/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-energy-groups/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-energy-groups/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-energy-groups/topol -maxwarn 10 >grompp.out 2>grompp.err 186s gmx check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-energy-groups/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 186s gmx mdrun -nb cpu -notunepme >mdrun.out 2>&1 186s gmx check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-energy-groups/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 186s gmx check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-energy-groups/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 186s PASSED but check mdp file differences 186s Testing nbnxn-free-energy . . . gmx grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-free-energy/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-free-energy/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-free-energy/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-free-energy/topol -maxwarn 10 >grompp.out 2>grompp.err 186s gmx check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-free-energy/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 186s gmx mdrun -notunepme >mdrun.out 2>&1 187s gmx check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-free-energy/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 187s gmx check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-free-energy/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 187s PASSED but check mdp file differences 187s Testing nbnxn-free-energy-vv . . . gmx grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-free-energy-vv/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-free-energy-vv/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-free-energy-vv/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-free-energy-vv/topol -maxwarn 10 >grompp.out 2>grompp.err 187s gmx check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-free-energy-vv/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 187s gmx mdrun -notunepme >mdrun.out 2>&1 187s gmx check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-free-energy-vv/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 187s gmx check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-free-energy-vv/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 187s PASSED but check mdp file differences 187s Testing nbnxn-ljpme-geometric . . . gmx grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-ljpme-geometric/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-ljpme-geometric/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-ljpme-geometric/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-ljpme-geometric/topol -maxwarn 10 >grompp.out 2>grompp.err 187s gmx check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-ljpme-geometric/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 187s gmx mdrun -notunepme >mdrun.out 2>&1 188s gmx check -e /tmp/autopkgtest.4sppbz/build.AAw/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 188s gmx check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-ljpme-geometric/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 188s PASSED but check mdp file differences 188s Testing nbnxn-ljpme-LB . . . gmx grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-ljpme-LB/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-ljpme-LB/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-ljpme-LB/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-ljpme-LB/topol -maxwarn 10 >grompp.out 2>grompp.err 188s gmx check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-ljpme-LB/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 188s gmx mdrun -notunepme >mdrun.out 2>&1 189s gmx check -e /tmp/autopkgtest.4sppbz/build.AAw/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 189s gmx check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-ljpme-LB/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 189s PASSED but check mdp file differences 189s Testing nbnxn-ljpme-LB-geometric . . . gmx grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/topol -maxwarn 10 >grompp.out 2>grompp.err 189s gmx check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 189s gmx mdrun -notunepme >mdrun.out 2>&1 190s gmx check -e /tmp/autopkgtest.4sppbz/build.AAw/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 190s gmx check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 190s PASSED but check mdp file differences 190s Testing nbnxn-vdw-force-switch . . . gmx grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-vdw-force-switch/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-vdw-force-switch/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-vdw-force-switch/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-vdw-force-switch/topol -maxwarn 10 >grompp.out 2>grompp.err 191s gmx check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-vdw-force-switch/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 191s gmx mdrun -notunepme >mdrun.out 2>&1 191s gmx check -e /tmp/autopkgtest.4sppbz/build.AAw/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 191s gmx check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-vdw-force-switch/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 191s PASSED but check mdp file differences 191s Testing nbnxn-vdw-potential-switch . . . gmx grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-vdw-potential-switch/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-vdw-potential-switch/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-vdw-potential-switch/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-vdw-potential-switch/topol -maxwarn 10 >grompp.out 2>grompp.err 191s gmx check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-vdw-potential-switch/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 191s gmx mdrun -notunepme >mdrun.out 2>&1 191s gmx check -e /tmp/autopkgtest.4sppbz/build.AAw/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 191s gmx check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-vdw-potential-switch/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 191s PASSED but check mdp file differences 191s Testing nbnxn-vdw-potential-switch-argon . . . gmx grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/topol -maxwarn 10 >grompp.out 2>grompp.err 191s gmx check -s1 /tmp/autopkgtest.4sppbz/build.AAw/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 191s gmx mdrun -notunepme >mdrun.out 2>&1 191s gmx check -e /tmp/autopkgtest.4sppbz/build.AAw/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 191s gmx check -f /tmp/autopkgtest.4sppbz/build.AAw/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 192s PASSED but check mdp file differences 192s Testing nbnxn_pme . . . gmx grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_pme/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_pme/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_pme/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_pme/topol -maxwarn 10 >grompp.out 2>grompp.err 192s gmx check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_pme/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 192s gmx mdrun -notunepme >mdrun.out 2>&1 192s gmx check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_pme/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 192s gmx check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_pme/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 192s PASSED but check mdp file differences 192s Testing nbnxn_pme_order5 . . . gmx grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_pme_order5/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_pme_order5/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_pme_order5/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_pme_order5/topol -maxwarn 10 >grompp.out 2>grompp.err 192s gmx check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_pme_order5/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 192s gmx mdrun -notunepme >mdrun.out 2>&1 192s gmx check -e /tmp/autopkgtest.4sppbz/build.AAw/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 192s gmx check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_pme_order5/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 192s PASSED but check mdp file differences 192s Testing nbnxn_pme_order6 . . . gmx grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_pme_order6/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_pme_order6/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_pme_order6/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_pme_order6/topol -maxwarn 10 >grompp.out 2>grompp.err 192s gmx check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_pme_order6/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 192s gmx mdrun -notunepme >mdrun.out 2>&1 193s gmx check -e /tmp/autopkgtest.4sppbz/build.AAw/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 193s gmx check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_pme_order6/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 193s PASSED but check mdp file differences 193s Testing nbnxn_rf . . . gmx grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_rf/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_rf/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_rf/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_rf/topol -maxwarn 10 >grompp.out 2>grompp.err 193s gmx check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_rf/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 193s gmx mdrun -notunepme >mdrun.out 2>&1 193s gmx check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_rf/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 193s gmx check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_rf/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 193s PASSED but check mdp file differences 193s Testing nbnxn_rzero . . . gmx grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_rzero/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_rzero/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_rzero/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_rzero/topol -maxwarn 10 >grompp.out 2>grompp.err 193s gmx check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_rzero/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 193s gmx mdrun -notunepme >mdrun.out 2>&1 193s gmx check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_rzero/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 193s gmx check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_rzero/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 193s PASSED but check mdp file differences 193s Testing nbnxn_vsite . . . gmx grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_vsite/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_vsite/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_vsite/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_vsite/topol -maxwarn 10 >grompp.out 2>grompp.err 193s gmx check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_vsite/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 193s gmx mdrun -ntmpi 6 -notunepme >mdrun.out 2>&1 200s gmx check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_vsite/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 200s gmx check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_vsite/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 200s PASSED but check mdp file differences 200s Testing nst_mismatch . . . gmx grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nst_mismatch/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nst_mismatch/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nst_mismatch/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nst_mismatch/topol -maxwarn 10 >grompp.out 2>grompp.err 200s gmx check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nst_mismatch/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 200s gmx mdrun -notunepme >mdrun.out 2>&1 200s gmx check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nst_mismatch/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 200s gmx check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nst_mismatch/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 200s PASSED but check mdp file differences 200s Testing octahedron . . . gmx grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/octahedron/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/octahedron/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/octahedron/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/octahedron/topol -maxwarn 10 >grompp.out 2>grompp.err 200s gmx check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/octahedron/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 200s gmx mdrun -notunepme >mdrun.out 2>&1 201s gmx check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/octahedron/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 201s gmx check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/octahedron/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 201s PASSED but check mdp file differences 201s Testing orientation-restraints . . . gmx grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/orientation-restraints/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/orientation-restraints/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/orientation-restraints/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/orientation-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 201s gmx check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/orientation-restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 201s gmx mdrun -ntmpi 1 -notunepme >mdrun.out 2>&1 206s gmx check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/orientation-restraints/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 206s gmx check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/orientation-restraints/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 206s PASSED but check mdp file differences 206s Testing position-restraints . . . gmx grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/position-restraints/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/position-restraints/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/position-restraints/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/position-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 206s gmx check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/position-restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 206s gmx mdrun -notunepme >mdrun.out 2>&1 206s gmx check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/position-restraints/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 206s gmx check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/position-restraints/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 206s PASSED but check mdp file differences 206s Testing pr-vrescale . . . gmx grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pr-vrescale/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pr-vrescale/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pr-vrescale/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pr-vrescale/topol -maxwarn 10 >grompp.out 2>grompp.err 206s gmx check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pr-vrescale/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 206s gmx mdrun -notunepme >mdrun.out 2>&1 207s gmx check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pr-vrescale/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 207s gmx check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pr-vrescale/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 207s PASSED but check mdp file differences 207s Testing pull_constraint . . . gmx grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_constraint/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_constraint/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_constraint/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_constraint/topol -maxwarn 10 -n /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_constraint/index >grompp.out 2>grompp.err 207s gmx check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_constraint/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 207s gmx mdrun -notunepme >mdrun.out 2>&1 207s gmx check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_constraint/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 207s gmx check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_constraint/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 207s PASSED but check mdp file differences 207s Testing pull_cylinder . . . gmx grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_cylinder/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_cylinder/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_cylinder/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_cylinder/topol -maxwarn 10 -n /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_cylinder/index >grompp.out 2>grompp.err 207s gmx check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_cylinder/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 207s gmx mdrun -notunepme >mdrun.out 2>&1 207s gmx check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_cylinder/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 207s gmx check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_cylinder/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 207s PASSED but check mdp file differences 207s Testing pull_geometry_angle . . . gmx grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_geometry_angle/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_geometry_angle/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_geometry_angle/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_geometry_angle/topol -maxwarn 10 -n /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_geometry_angle/index >grompp.out 2>grompp.err 207s gmx check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_geometry_angle/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 207s gmx mdrun -notunepme >mdrun.out 2>&1 208s gmx check -e /tmp/autopkgtest.4sppbz/build.AAw/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 208s gmx check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_geometry_angle/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 208s PASSED but check mdp file differences 208s Testing pull_geometry_angle-axis . . . gmx grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_geometry_angle-axis/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_geometry_angle-axis/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_geometry_angle-axis/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_geometry_angle-axis/topol -maxwarn 10 -n /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_geometry_angle-axis/index >grompp.out 2>grompp.err 208s gmx check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_geometry_angle-axis/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 208s gmx mdrun -notunepme >mdrun.out 2>&1 208s gmx check -e /tmp/autopkgtest.4sppbz/build.AAw/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 208s gmx check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_geometry_angle-axis/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 208s PASSED but check mdp file differences 208s Testing pull_geometry_dihedral . . . gmx grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_geometry_dihedral/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_geometry_dihedral/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_geometry_dihedral/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_geometry_dihedral/topol -maxwarn 10 -n /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_geometry_dihedral/index >grompp.out 2>grompp.err 208s gmx check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_geometry_dihedral/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 208s gmx mdrun -notunepme >mdrun.out 2>&1 209s gmx check -e /tmp/autopkgtest.4sppbz/build.AAw/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 209s gmx check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_geometry_dihedral/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 209s PASSED but check mdp file differences 209s Testing reb . . . gmx grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/reb/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/reb/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/reb/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/reb/topol -maxwarn 10 >grompp.out 2>grompp.err 209s gmx check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/reb/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 209s gmx mdrun -nb cpu -notunepme >mdrun.out 2>&1 209s gmx check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/reb/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 209s gmx check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/reb/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 209s PASSED but check mdp file differences 209s Testing sw . . . gmx grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/sw/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/sw/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/sw/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/sw/topol -maxwarn 10 >grompp.out 2>grompp.err 209s gmx check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/sw/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 209s gmx mdrun -ntmpi 1 -notunepme >mdrun.out 2>&1 210s gmx check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/sw/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 210s gmx check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/sw/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 210s PASSED but check mdp file differences 210s Testing tip4p . . . gmx grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/tip4p/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/tip4p/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/tip4p/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/tip4p/topol -maxwarn 10 >grompp.out 2>grompp.err 210s gmx check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/tip4p/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 210s gmx mdrun -notunepme >mdrun.out 2>&1 210s gmx check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/tip4p/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 210s gmx check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/tip4p/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 210s PASSED but check mdp file differences 210s Testing tip4p_continue . . . gmx grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/tip4p_continue/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/tip4p_continue/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/tip4p_continue/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/tip4p_continue/topol -maxwarn 10 >grompp.out 2>grompp.err 211s gmx check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/tip4p_continue/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 211s gmx mdrun -notunepme -cpi /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/tip4p_continue/continue -noappend >mdrun.out 2>&1 211s gmx check -e /tmp/autopkgtest.4sppbz/build.AAw/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 211s gmx check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/tip4p_continue/reference_s.trr -f2 traj.part0002.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 211s PASSED but check mdp file differences 211s Testing tip4pflex . . . gmx grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/tip4pflex/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/tip4pflex/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/tip4pflex/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/tip4pflex/topol -maxwarn 10 >grompp.out 2>grompp.err 211s gmx check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/tip4pflex/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 211s gmx mdrun -notunepme >mdrun.out 2>&1 211s gmx check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/tip4pflex/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 211s gmx check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/tip4pflex/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 211s PASSED but check mdp file differences 211s Testing urea . . . gmx grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/urea/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/urea/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/urea/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/urea/topol -maxwarn 10 >grompp.out 2>grompp.err 211s gmx check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/urea/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 211s gmx mdrun -notunepme >mdrun.out 2>&1 211s gmx check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/urea/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 211s gmx check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/urea/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 211s PASSED but check mdp file differences 211s Testing walls . . . gmx grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/walls/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/walls/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/walls/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/walls/topol -maxwarn 10 >grompp.out 2>grompp.err 212s gmx check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/walls/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 212s gmx mdrun -notunepme >mdrun.out 2>&1 212s gmx check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/walls/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 212s gmx check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/walls/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 212s PASSED but check mdp file differences 212s All 45 complex tests PASSED 212s All 0 extra tests PASSED 212s Testing linfix . . . 212s gmx grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/linfix/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/linfix/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/linfix/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/linfix/topol -maxwarn 2 >grompp.out 2>grompp.err 212s echo 0 | gmx make_edi -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/linfix/eigenvec.trr -outfrq 1 -linfix 1 -linstep 0.0013 -o sam.edi 1>make_edi.out 2>make_edi.err 212s gmx mdrun -ei sam.edi -eo linfix.xvg >mdrun.out 2>&1 212s Comparing column #0 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 0 212s Comparing column #1 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 0.05 212s Comparing column #2 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 1e-06 212s Testing linacc . . . 212s gmx grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/linacc/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/linacc/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/linacc/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/linacc/topol -maxwarn 2 >grompp.out 2>grompp.err 212s echo 0 | gmx make_edi -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/linacc/eigenvec.trr -outfrq 2 -linacc 1 -accdir +1 -o sam.edi 1>make_edi.out 2>make_edi.err 212s gmx mdrun -ei sam.edi -eo linacc.xvg >mdrun.out 2>&1 212s Comparing column #0 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0 212s Comparing column #1 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0.005 212s Comparing column #2 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0.001 212s Checking monotonicity for column 2 of file linacc.xvg ... values of column 2 are increasing monotonically. 212s Testing radfix . . . 212s gmx grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/radfix/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/radfix/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/radfix/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/radfix/topol -maxwarn 2 >grompp.out 2>grompp.err 212s echo 0 | gmx make_edi -f /tmp/autopkgtest.4sppbz/build.AAw/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 212s gmx mdrun -ei sam.edi -eo radfix.xvg >mdrun.out 2>&1 212s Comparing column #0 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0 212s Comparing column #1 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0.05 212s Comparing column #4 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0 212s Checking radius for file radfix.xvg ... all values within tolerance of 1e-05 212s Testing radacc . . . 212s gmx grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/radacc/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/radacc/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/radacc/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/radacc/topol -maxwarn 2 >grompp.out 2>grompp.err 212s echo 0 | gmx make_edi -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/radacc/eigenvec.trr -outfrq 3 -radacc 1-2 -o sam.edi 1>make_edi.out 2>make_edi.err 212s gmx mdrun -ei sam.edi -eo radacc.xvg >mdrun.out 2>&1 212s Comparing column #0 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/radacc/edsam_reference.xvg and radacc.xvg ... all within tolerance of 0 212s Comparing column #1 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/radacc/edsam_reference.xvg and radacc.xvg ... all within tolerance of 0.05 212s Checking radius for file radacc.xvg ... all values within tolerance of 1e-05 212s Checking monotonicity for column 4 of file radacc.xvg ... values of column 4 are increasing monotonically. 212s Testing radcon . . . 212s gmx grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/radcon/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/radcon/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/radcon/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/radcon/topol -maxwarn 2 >grompp.out 2>grompp.err 212s echo 0 0 | gmx make_edi -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/radcon/eigenvec.trr -outfrq 1 -radcon 1-2 -tar /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/radcon/target.pdb -o sam.edi 1>make_edi.out 2>make_edi.err 212s gmx mdrun -ei sam.edi -eo radcon.xvg >mdrun.out 2>&1 212s Comparing column #0 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/radcon/edsam_reference.xvg and radcon.xvg ... all within tolerance of 0 212s Comparing column #1 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/radcon/edsam_reference.xvg and radcon.xvg ... all within tolerance of 0.05 212s Checking radius for file radcon.xvg ... all values within tolerance of 1e-05 212s Checking monotonicity for column 4 of file radcon.xvg ... values of column 4 are decreasing monotonically. 212s Testing flooding1 . . . 212s gmx grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding1/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding1/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding1/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding1/topol -maxwarn 2 >grompp.out 2>grompp.err 213s gmx mdrun -ei /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding1/sam.edi -eo flooding1.xvg >mdrun.out 2>&1 213s Comparing column #0 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 0 213s Comparing column #1 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 213s Comparing column #2 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 213s Comparing column #3 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 213s Comparing column #4 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 213s Comparing column #5 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 213s Comparing column #6 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 213s Comparing column #7 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 213s Testing flooding2 . . . 213s gmx grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding2/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding2/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding2/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding2/topol -maxwarn 2 >grompp.out 2>grompp.err 213s gmx mdrun -ei /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding2/sam.edi -eo flooding2.xvg >mdrun.out 2>&1 214s Comparing column #0 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0 214s Comparing column #1 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.05 214s Comparing column #2 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.025 214s Comparing column #3 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 250 214s Comparing column #4 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 1000 214s Comparing column #5 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.025 214s Comparing column #6 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 250 214s Comparing column #7 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 1000 214s All 7 essential dynamics tests PASSED 214s ======================================================== 214s Starting regression tests: basic build, double precision 214s ======================================================== 214s Testing acetonitrilRF . . . gmx_d grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/acetonitrilRF/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/acetonitrilRF/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/acetonitrilRF/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/acetonitrilRF/topol -maxwarn 10 >grompp.out 2>grompp.err 214s gmx_d check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/acetonitrilRF/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 214s gmx_d mdrun -nb cpu -notunepme >mdrun.out 2>&1 214s gmx_d check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/acetonitrilRF/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 214s gmx_d check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/acetonitrilRF/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 214s PASSED but check mdp file differences 214s Testing aminoacids . . . gmx_d grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/aminoacids/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/aminoacids/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/aminoacids/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/aminoacids/topol -maxwarn 10 >grompp.out 2>grompp.err 214s gmx_d check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/aminoacids/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 214s gmx_d mdrun -notunepme >mdrun.out 2>&1 215s gmx_d check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/aminoacids/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 215s gmx_d check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/aminoacids/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 215s PASSED but check mdp file differences 215s Testing argon . . . gmx_d grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/argon/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/argon/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/argon/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/argon/topol -maxwarn 10 >grompp.out 2>grompp.err 215s gmx_d check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/argon/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 215s gmx_d mdrun -nb cpu -notunepme >mdrun.out 2>&1 215s gmx_d check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/argon/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 215s gmx_d check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/argon/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 215s PASSED but check mdp file differences 215s Testing awh_multibias . . . gmx_d grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/awh_multibias/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/awh_multibias/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/awh_multibias/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/awh_multibias/topol -maxwarn 10 -n /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/awh_multibias/index >grompp.out 2>grompp.err 215s gmx_d check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/awh_multibias/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 215s gmx_d mdrun -notunepme -cpi /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/awh_multibias/continue -noappend >mdrun.out 2>&1 215s gmx_d check -e /tmp/autopkgtest.4sppbz/build.AAw/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 215s gmx_d check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/awh_multibias/reference_d.trr -f2 traj.part0002.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 215s PASSED but check mdp file differences 215s Testing awh_multidim . . . gmx_d grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/awh_multidim/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/awh_multidim/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/awh_multidim/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/awh_multidim/topol -maxwarn 10 -n /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/awh_multidim/index >grompp.out 2>grompp.err 215s gmx_d check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/awh_multidim/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 215s gmx_d mdrun -notunepme >mdrun.out 2>&1 215s gmx_d check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/awh_multidim/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 215s gmx_d check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/awh_multidim/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 215s PASSED but check mdp file differences 215s Testing butane . . . gmx_d grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/butane/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/butane/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/butane/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/butane/topol -maxwarn 10 >grompp.out 2>grompp.err 215s gmx_d check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/butane/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 215s gmx_d mdrun -notunepme >mdrun.out 2>&1 215s gmx_d check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/butane/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 215s gmx_d check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/butane/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 215s PASSED but check mdp file differences 215s Testing cbt . . . gmx_d grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/cbt/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/cbt/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/cbt/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/cbt/topol -maxwarn 10 >grompp.out 2>grompp.err 215s gmx_d check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/cbt/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 215s gmx_d mdrun -nb cpu -notunepme >mdrun.out 2>&1 215s gmx_d check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/cbt/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 215s gmx_d check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/cbt/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 215s PASSED but check mdp file differences 215s Testing dd121 . . . gmx_d grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/dd121/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/dd121/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/dd121/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/dd121/topol -maxwarn 10 >grompp.out 2>grompp.err 215s gmx_d check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/dd121/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 216s gmx_d mdrun -ntmpi 12 -notunepme >mdrun.out 2>&1 231s gmx_d check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/dd121/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 231s gmx_d check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/dd121/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 231s PASSED but check mdp file differences 231s Testing dec+water . . . gmx_d grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/dec+water/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/dec+water/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/dec+water/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/dec+water/topol -maxwarn 10 >grompp.out 2>grompp.err 231s gmx_d check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/dec+water/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 231s gmx_d mdrun -nb cpu -notunepme >mdrun.out 2>&1 231s gmx_d check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/dec+water/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 231s gmx_d check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/dec+water/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 231s PASSED but check mdp file differences 231s Testing distance_restraints . . . gmx_d grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/distance_restraints/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/distance_restraints/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/distance_restraints/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/distance_restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 231s gmx_d check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/distance_restraints/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 232s gmx_d mdrun -ntmpi 1 -notunepme >mdrun.out 2>&1 232s gmx_d check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/distance_restraints/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 232s gmx_d check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/distance_restraints/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 232s PASSED but check mdp file differences 232s Testing ethyleenglycol . . . gmx_d grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/ethyleenglycol/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/ethyleenglycol/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/ethyleenglycol/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/ethyleenglycol/topol -maxwarn 10 >grompp.out 2>grompp.err 232s gmx_d check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/ethyleenglycol/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 232s gmx_d mdrun -notunepme >mdrun.out 2>&1 232s gmx_d check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/ethyleenglycol/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 232s gmx_d check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/ethyleenglycol/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 232s PASSED but check mdp file differences 232s Testing field . . . gmx_d grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/field/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/field/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/field/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/field/topol -maxwarn 10 >grompp.out 2>grompp.err 232s gmx_d check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/field/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 232s gmx_d mdrun -notunepme >mdrun.out 2>&1 233s gmx_d check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/field/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 233s gmx_d check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/field/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 233s PASSED but check mdp file differences 233s Testing nacl . . . gmx_d grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nacl/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nacl/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nacl/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nacl/topol -maxwarn 10 >grompp.out 2>grompp.err 233s gmx_d check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nacl/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 233s gmx_d mdrun -notunepme >mdrun.out 2>&1 233s gmx_d check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nacl/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 233s gmx_d check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nacl/reference_d.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-energy-groups . . . gmx_d grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-energy-groups/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-energy-groups/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-energy-groups/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-energy-groups/topol -maxwarn 10 >grompp.out 2>grompp.err 233s gmx_d check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-energy-groups/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 233s gmx_d mdrun -nb cpu -notunepme >mdrun.out 2>&1 234s gmx_d check -e /tmp/autopkgtest.4sppbz/build.AAw/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 234s gmx_d check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-energy-groups/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 234s PASSED but check mdp file differences 234s Testing nbnxn-free-energy . . . gmx_d grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-free-energy/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-free-energy/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-free-energy/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-free-energy/topol -maxwarn 10 >grompp.out 2>grompp.err 234s gmx_d check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-free-energy/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 234s gmx_d mdrun -notunepme >mdrun.out 2>&1 234s gmx_d check -e /tmp/autopkgtest.4sppbz/build.AAw/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 234s gmx_d check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-free-energy/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 234s PASSED but check mdp file differences 234s Testing nbnxn-free-energy-vv . . . gmx_d grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-free-energy-vv/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-free-energy-vv/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-free-energy-vv/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-free-energy-vv/topol -maxwarn 10 >grompp.out 2>grompp.err 234s gmx_d check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-free-energy-vv/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 234s gmx_d mdrun -notunepme >mdrun.out 2>&1 235s gmx_d check -e /tmp/autopkgtest.4sppbz/build.AAw/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 235s gmx_d check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-free-energy-vv/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 235s PASSED but check mdp file differences 235s Testing nbnxn-ljpme-geometric . . . gmx_d grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-ljpme-geometric/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-ljpme-geometric/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-ljpme-geometric/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-ljpme-geometric/topol -maxwarn 10 >grompp.out 2>grompp.err 235s gmx_d check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-ljpme-geometric/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 235s gmx_d mdrun -notunepme >mdrun.out 2>&1 235s gmx_d check -e /tmp/autopkgtest.4sppbz/build.AAw/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 235s gmx_d check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-ljpme-geometric/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 235s PASSED but check mdp file differences 235s Testing nbnxn-ljpme-LB . . . gmx_d grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-ljpme-LB/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-ljpme-LB/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-ljpme-LB/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-ljpme-LB/topol -maxwarn 10 >grompp.out 2>grompp.err 235s gmx_d check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-ljpme-LB/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 235s gmx_d mdrun -notunepme >mdrun.out 2>&1 237s gmx_d check -e /tmp/autopkgtest.4sppbz/build.AAw/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 237s gmx_d check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-ljpme-LB/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 237s PASSED but check mdp file differences 237s Testing nbnxn-ljpme-LB-geometric . . . gmx_d grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/topol -maxwarn 10 >grompp.out 2>grompp.err 237s gmx_d check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 237s gmx_d mdrun -notunepme >mdrun.out 2>&1 238s gmx_d check -e /tmp/autopkgtest.4sppbz/build.AAw/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 238s gmx_d check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 238s PASSED but check mdp file differences 238s Testing nbnxn-vdw-force-switch . . . gmx_d grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-vdw-force-switch/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-vdw-force-switch/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-vdw-force-switch/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-vdw-force-switch/topol -maxwarn 10 >grompp.out 2>grompp.err 238s gmx_d check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-vdw-force-switch/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 238s gmx_d mdrun -notunepme >mdrun.out 2>&1 238s gmx_d check -e /tmp/autopkgtest.4sppbz/build.AAw/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 238s gmx_d check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-vdw-force-switch/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 238s PASSED but check mdp file differences 238s Testing nbnxn-vdw-potential-switch . . . gmx_d grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-vdw-potential-switch/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-vdw-potential-switch/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-vdw-potential-switch/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-vdw-potential-switch/topol -maxwarn 10 >grompp.out 2>grompp.err 238s gmx_d check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-vdw-potential-switch/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 238s gmx_d mdrun -notunepme >mdrun.out 2>&1 239s gmx_d check -e /tmp/autopkgtest.4sppbz/build.AAw/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 239s gmx_d check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-vdw-potential-switch/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 239s PASSED but check mdp file differences 239s Testing nbnxn-vdw-potential-switch-argon . . . gmx_d grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/topol -maxwarn 10 >grompp.out 2>grompp.err 239s gmx_d check -s1 /tmp/autopkgtest.4sppbz/build.AAw/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 239s gmx_d mdrun -notunepme >mdrun.out 2>&1 239s gmx_d check -e /tmp/autopkgtest.4sppbz/build.AAw/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 239s gmx_d check -f /tmp/autopkgtest.4sppbz/build.AAw/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 239s PASSED but check mdp file differences 239s Testing nbnxn_pme . . . gmx_d grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_pme/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_pme/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_pme/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_pme/topol -maxwarn 10 >grompp.out 2>grompp.err 239s gmx_d check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_pme/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 239s gmx_d mdrun -notunepme >mdrun.out 2>&1 239s gmx_d check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_pme/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 239s gmx_d check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_pme/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 239s PASSED but check mdp file differences 239s Testing nbnxn_pme_order5 . . . gmx_d grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_pme_order5/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_pme_order5/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_pme_order5/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_pme_order5/topol -maxwarn 10 >grompp.out 2>grompp.err 239s gmx_d check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_pme_order5/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 239s gmx_d mdrun -notunepme >mdrun.out 2>&1 240s gmx_d check -e /tmp/autopkgtest.4sppbz/build.AAw/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 240s gmx_d check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_pme_order5/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 240s PASSED but check mdp file differences 240s Testing nbnxn_pme_order6 . . . gmx_d grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_pme_order6/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_pme_order6/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_pme_order6/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_pme_order6/topol -maxwarn 10 >grompp.out 2>grompp.err 240s gmx_d check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_pme_order6/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 240s gmx_d mdrun -notunepme >mdrun.out 2>&1 240s gmx_d check -e /tmp/autopkgtest.4sppbz/build.AAw/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 240s gmx_d check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_pme_order6/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 240s PASSED but check mdp file differences 240s Testing nbnxn_rf . . . gmx_d grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_rf/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_rf/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_rf/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_rf/topol -maxwarn 10 >grompp.out 2>grompp.err 240s gmx_d check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_rf/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 240s gmx_d mdrun -notunepme >mdrun.out 2>&1 240s gmx_d check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_rf/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 240s gmx_d check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_rf/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 240s PASSED but check mdp file differences 240s Testing nbnxn_rzero . . . gmx_d grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_rzero/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_rzero/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_rzero/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_rzero/topol -maxwarn 10 >grompp.out 2>grompp.err 240s gmx_d check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_rzero/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 240s gmx_d mdrun -notunepme >mdrun.out 2>&1 240s gmx_d check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_rzero/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 240s gmx_d check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_rzero/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 240s PASSED but check mdp file differences 240s Testing nbnxn_vsite . . . gmx_d grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_vsite/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_vsite/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_vsite/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_vsite/topol -maxwarn 10 >grompp.out 2>grompp.err 240s gmx_d check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_vsite/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 240s gmx_d mdrun -ntmpi 6 -notunepme >mdrun.out 2>&1 247s gmx_d check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_vsite/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 247s gmx_d check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_vsite/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 247s PASSED but check mdp file differences 247s Testing nst_mismatch . . . gmx_d grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nst_mismatch/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nst_mismatch/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nst_mismatch/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nst_mismatch/topol -maxwarn 10 >grompp.out 2>grompp.err 247s gmx_d check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nst_mismatch/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 247s gmx_d mdrun -notunepme >mdrun.out 2>&1 247s gmx_d check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nst_mismatch/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 247s gmx_d check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nst_mismatch/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 247s PASSED but check mdp file differences 247s Testing octahedron . . . gmx_d grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/octahedron/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/octahedron/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/octahedron/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/octahedron/topol -maxwarn 10 >grompp.out 2>grompp.err 247s gmx_d check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/octahedron/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 247s gmx_d mdrun -notunepme >mdrun.out 2>&1 248s gmx_d check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/octahedron/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 248s gmx_d check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/octahedron/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 248s PASSED but check mdp file differences 248s Testing orientation-restraints . . . gmx_d grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/orientation-restraints/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/orientation-restraints/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/orientation-restraints/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/orientation-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 248s gmx_d check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/orientation-restraints/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 248s gmx_d mdrun -ntmpi 1 -notunepme >mdrun.out 2>&1 253s gmx_d check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/orientation-restraints/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 253s gmx_d check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/orientation-restraints/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 253s PASSED but check mdp file differences 253s Testing position-restraints . . . gmx_d grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/position-restraints/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/position-restraints/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/position-restraints/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/position-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 253s gmx_d check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/position-restraints/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 253s gmx_d mdrun -notunepme >mdrun.out 2>&1 253s gmx_d check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/position-restraints/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 253s gmx_d check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/position-restraints/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 253s PASSED but check mdp file differences 253s Testing pr-vrescale . . . gmx_d grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pr-vrescale/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pr-vrescale/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pr-vrescale/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pr-vrescale/topol -maxwarn 10 >grompp.out 2>grompp.err 253s gmx_d check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pr-vrescale/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 253s gmx_d mdrun -notunepme >mdrun.out 2>&1 254s gmx_d check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pr-vrescale/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 254s gmx_d check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pr-vrescale/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 254s PASSED but check mdp file differences 254s Testing pull_constraint . . . gmx_d grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_constraint/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_constraint/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_constraint/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_constraint/topol -maxwarn 10 -n /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_constraint/index >grompp.out 2>grompp.err 254s gmx_d check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_constraint/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 254s gmx_d mdrun -notunepme >mdrun.out 2>&1 254s gmx_d check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_constraint/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 254s gmx_d check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_constraint/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 254s PASSED but check mdp file differences 254s Testing pull_cylinder . . . gmx_d grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_cylinder/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_cylinder/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_cylinder/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_cylinder/topol -maxwarn 10 -n /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_cylinder/index >grompp.out 2>grompp.err 254s gmx_d check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_cylinder/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 254s gmx_d mdrun -notunepme >mdrun.out 2>&1 254s gmx_d check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_cylinder/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 254s gmx_d check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_cylinder/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 254s PASSED but check mdp file differences 254s Testing pull_geometry_angle . . . gmx_d grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_geometry_angle/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_geometry_angle/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_geometry_angle/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_geometry_angle/topol -maxwarn 10 -n /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_geometry_angle/index >grompp.out 2>grompp.err 254s gmx_d check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_geometry_angle/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 254s gmx_d mdrun -notunepme >mdrun.out 2>&1 255s gmx_d check -e /tmp/autopkgtest.4sppbz/build.AAw/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 255s gmx_d check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_geometry_angle/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 255s PASSED but check mdp file differences 255s Testing pull_geometry_angle-axis . . . gmx_d grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_geometry_angle-axis/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_geometry_angle-axis/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_geometry_angle-axis/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_geometry_angle-axis/topol -maxwarn 10 -n /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_geometry_angle-axis/index >grompp.out 2>grompp.err 255s gmx_d check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_geometry_angle-axis/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 255s gmx_d mdrun -notunepme >mdrun.out 2>&1 255s gmx_d check -e /tmp/autopkgtest.4sppbz/build.AAw/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 255s gmx_d check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_geometry_angle-axis/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 255s PASSED but check mdp file differences 255s Testing pull_geometry_dihedral . . . gmx_d grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_geometry_dihedral/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_geometry_dihedral/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_geometry_dihedral/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_geometry_dihedral/topol -maxwarn 10 -n /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_geometry_dihedral/index >grompp.out 2>grompp.err 255s gmx_d check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_geometry_dihedral/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 255s gmx_d mdrun -notunepme >mdrun.out 2>&1 256s gmx_d check -e /tmp/autopkgtest.4sppbz/build.AAw/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 256s gmx_d check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_geometry_dihedral/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 256s PASSED but check mdp file differences 256s Testing reb . . . gmx_d grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/reb/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/reb/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/reb/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/reb/topol -maxwarn 10 >grompp.out 2>grompp.err 256s gmx_d check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/reb/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 256s gmx_d mdrun -nb cpu -notunepme >mdrun.out 2>&1 256s gmx_d check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/reb/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 256s gmx_d check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/reb/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 256s PASSED but check mdp file differences 256s Testing sw . . . gmx_d grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/sw/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/sw/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/sw/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/sw/topol -maxwarn 10 >grompp.out 2>grompp.err 256s gmx_d check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/sw/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 256s gmx_d mdrun -ntmpi 1 -notunepme >mdrun.out 2>&1 256s gmx_d check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/sw/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 256s gmx_d check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/sw/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 256s PASSED but check mdp file differences 256s Testing tip4p . . . gmx_d grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/tip4p/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/tip4p/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/tip4p/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/tip4p/topol -maxwarn 10 >grompp.out 2>grompp.err 257s gmx_d check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/tip4p/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 257s gmx_d mdrun -notunepme >mdrun.out 2>&1 257s gmx_d check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/tip4p/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 257s gmx_d check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/tip4p/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 257s PASSED but check mdp file differences 257s Testing tip4p_continue . . . gmx_d grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/tip4p_continue/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/tip4p_continue/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/tip4p_continue/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/tip4p_continue/topol -maxwarn 10 >grompp.out 2>grompp.err 257s gmx_d check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/tip4p_continue/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 257s gmx_d mdrun -notunepme -cpi /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/tip4p_continue/continue -noappend >mdrun.out 2>&1 257s gmx_d check -e /tmp/autopkgtest.4sppbz/build.AAw/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 257s gmx_d check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/tip4p_continue/reference_d.trr -f2 traj.part0002.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 257s PASSED but check mdp file differences 257s Testing tip4pflex . . . gmx_d grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/tip4pflex/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/tip4pflex/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/tip4pflex/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/tip4pflex/topol -maxwarn 10 >grompp.out 2>grompp.err 257s gmx_d check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/tip4pflex/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 257s gmx_d mdrun -notunepme >mdrun.out 2>&1 258s gmx_d check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/tip4pflex/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 258s gmx_d check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/tip4pflex/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 258s PASSED but check mdp file differences 258s Testing urea . . . gmx_d grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/urea/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/urea/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/urea/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/urea/topol -maxwarn 10 >grompp.out 2>grompp.err 258s gmx_d check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/urea/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 258s gmx_d mdrun -notunepme >mdrun.out 2>&1 258s gmx_d check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/urea/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 258s gmx_d check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/urea/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 258s PASSED but check mdp file differences 258s Testing walls . . . gmx_d grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/walls/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/walls/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/walls/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/walls/topol -maxwarn 10 >grompp.out 2>grompp.err 258s gmx_d check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/walls/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 258s gmx_d mdrun -notunepme >mdrun.out 2>&1 259s gmx_d check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/walls/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 259s gmx_d check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/walls/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 259s PASSED but check mdp file differences 259s All 45 complex tests PASSED 259s All 0 extra tests PASSED 259s Testing linfix . . . 259s gmx_d grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/linfix/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/linfix/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/linfix/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/linfix/topol -maxwarn 2 >grompp.out 2>grompp.err 259s echo 0 | gmx_d make_edi -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/linfix/eigenvec.trr -outfrq 1 -linfix 1 -linstep 0.0013 -o sam.edi 1>make_edi.out 2>make_edi.err 259s gmx_d mdrun -ei sam.edi -eo linfix.xvg >mdrun.out 2>&1 259s Comparing column #0 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 0 259s Comparing column #1 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 0.05 259s Comparing column #2 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 1e-06 259s Testing linacc . . . 259s gmx_d grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/linacc/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/linacc/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/linacc/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/linacc/topol -maxwarn 2 >grompp.out 2>grompp.err 259s echo 0 | gmx_d make_edi -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/linacc/eigenvec.trr -outfrq 2 -linacc 1 -accdir +1 -o sam.edi 1>make_edi.out 2>make_edi.err 259s gmx_d mdrun -ei sam.edi -eo linacc.xvg >mdrun.out 2>&1 259s Comparing column #0 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0 259s Comparing column #1 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0.005 259s Comparing column #2 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0.001 259s Checking monotonicity for column 2 of file linacc.xvg ... values of column 2 are increasing monotonically. 259s Testing radfix . . . 259s gmx_d grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/radfix/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/radfix/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/radfix/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/radfix/topol -maxwarn 2 >grompp.out 2>grompp.err 259s echo 0 | gmx_d make_edi -f /tmp/autopkgtest.4sppbz/build.AAw/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 259s gmx_d mdrun -ei sam.edi -eo radfix.xvg >mdrun.out 2>&1 259s Comparing column #0 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0 259s Comparing column #1 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0.05 259s Comparing column #4 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0 259s Checking radius for file radfix.xvg ... all values within tolerance of 1e-05 259s Testing radacc . . . 259s gmx_d grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/radacc/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/radacc/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/radacc/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/radacc/topol -maxwarn 2 >grompp.out 2>grompp.err 259s echo 0 | gmx_d make_edi -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/radacc/eigenvec.trr -outfrq 3 -radacc 1-2 -o sam.edi 1>make_edi.out 2>make_edi.err 259s gmx_d mdrun -ei sam.edi -eo radacc.xvg >mdrun.out 2>&1 259s Comparing column #0 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/radacc/edsam_reference.xvg and radacc.xvg ... all within tolerance of 0 259s Comparing column #1 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/radacc/edsam_reference.xvg and radacc.xvg ... all within tolerance of 0.05 259s Checking radius for file radacc.xvg ... all values within tolerance of 1e-05 259s Checking monotonicity for column 4 of file radacc.xvg ... values of column 4 are increasing monotonically. 259s Testing radcon . . . 259s gmx_d grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/radcon/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/radcon/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/radcon/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/radcon/topol -maxwarn 2 >grompp.out 2>grompp.err 259s echo 0 0 | gmx_d make_edi -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/radcon/eigenvec.trr -outfrq 1 -radcon 1-2 -tar /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/radcon/target.pdb -o sam.edi 1>make_edi.out 2>make_edi.err 259s gmx_d mdrun -ei sam.edi -eo radcon.xvg >mdrun.out 2>&1 259s Comparing column #0 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/radcon/edsam_reference.xvg and radcon.xvg ... all within tolerance of 0 259s Comparing column #1 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/radcon/edsam_reference.xvg and radcon.xvg ... all within tolerance of 0.05 259s Checking radius for file radcon.xvg ... all values within tolerance of 1e-05 259s Checking monotonicity for column 4 of file radcon.xvg ... values of column 4 are decreasing monotonically. 259s Testing flooding1 . . . 259s gmx_d grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding1/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding1/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding1/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding1/topol -maxwarn 2 >grompp.out 2>grompp.err 260s gmx_d mdrun -ei /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding1/sam.edi -eo flooding1.xvg >mdrun.out 2>&1 260s Comparing column #0 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 0 260s Comparing column #1 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 260s Comparing column #2 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 260s Comparing column #3 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 260s Comparing column #4 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 260s Comparing column #5 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 260s Comparing column #6 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 260s Comparing column #7 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 260s Testing flooding2 . . . 260s gmx_d grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding2/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding2/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding2/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding2/topol -maxwarn 2 >grompp.out 2>grompp.err 260s gmx_d mdrun -ei /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding2/sam.edi -eo flooding2.xvg >mdrun.out 2>&1 261s Comparing column #0 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0 261s Comparing column #1 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.05 261s Comparing column #2 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.025 261s Comparing column #3 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 250 261s Comparing column #4 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 1000 261s Comparing column #5 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.025 261s Comparing column #6 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 250 261s Comparing column #7 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 1000 261s All 7 essential dynamics tests PASSED 261s ============================================================= 261s Starting regression tests: MPI build, single precision (only) 261s ============================================================= 261s Will test on 4 MPI ranks (if possible) 263s Testing acetonitrilRF . . . gmx_mpi grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/acetonitrilRF/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/acetonitrilRF/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/acetonitrilRF/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/acetonitrilRF/topol -maxwarn 10 >grompp.out 2>grompp.err 263s gmx_mpi check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/acetonitrilRF/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 263s mpirun -np 4 -wdir /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/acetonitrilRF gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1 264s gmx_mpi check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/acetonitrilRF/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 264s gmx_mpi check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/acetonitrilRF/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 265s PASSED but check mdp file differences 265s Testing aminoacids . . . gmx_mpi grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/aminoacids/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/aminoacids/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/aminoacids/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/aminoacids/topol -maxwarn 10 >grompp.out 2>grompp.err 265s gmx_mpi check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/aminoacids/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 265s mpirun -np 4 -wdir /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/aminoacids gmx_mpi mdrun -notunepme >mdrun.out 2>&1 266s gmx_mpi check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/aminoacids/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 267s gmx_mpi check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/aminoacids/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 267s PASSED but check mdp file differences 267s Testing argon . . . gmx_mpi grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/argon/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/argon/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/argon/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/argon/topol -maxwarn 10 >grompp.out 2>grompp.err 267s gmx_mpi check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/argon/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 268s mpirun -np 4 -wdir /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/argon gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1 268s gmx_mpi check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/argon/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 268s gmx_mpi check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/argon/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 269s PASSED but check mdp file differences 269s Testing awh_multibias . . . gmx_mpi grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/awh_multibias/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/awh_multibias/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/awh_multibias/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/awh_multibias/topol -maxwarn 10 -n /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/awh_multibias/index >grompp.out 2>grompp.err 269s gmx_mpi check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/awh_multibias/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 269s mpirun -np 4 -wdir /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/awh_multibias gmx_mpi mdrun -notunepme -cpi /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/awh_multibias/continue -noappend >mdrun.out 2>&1 270s gmx_mpi check -e /tmp/autopkgtest.4sppbz/build.AAw/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 270s gmx_mpi check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/awh_multibias/reference_s.trr -f2 traj.part0002.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 270s PASSED but check mdp file differences 270s Testing awh_multidim . . . gmx_mpi grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/awh_multidim/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/awh_multidim/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/awh_multidim/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/awh_multidim/topol -maxwarn 10 -n /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/awh_multidim/index >grompp.out 2>grompp.err 271s gmx_mpi check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/awh_multidim/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 271s mpirun -np 4 -wdir /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/awh_multidim gmx_mpi mdrun -notunepme >mdrun.out 2>&1 271s gmx_mpi check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/awh_multidim/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 272s gmx_mpi check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/awh_multidim/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 272s PASSED but check mdp file differences 272s Testing butane . . . gmx_mpi grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/butane/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/butane/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/butane/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/butane/topol -maxwarn 10 >grompp.out 2>grompp.err 272s gmx_mpi check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/butane/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 272s mpirun -np 4 -wdir /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/butane gmx_mpi mdrun -notunepme >mdrun.out 2>&1 273s gmx_mpi check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/butane/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 273s gmx_mpi check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/butane/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 274s PASSED but check mdp file differences 274s Testing cbt . . . gmx_mpi grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/cbt/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/cbt/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/cbt/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/cbt/topol -maxwarn 10 >grompp.out 2>grompp.err 274s gmx_mpi check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/cbt/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 274s mpirun -np 4 -wdir /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/cbt gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1 275s gmx_mpi check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/cbt/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 275s gmx_mpi check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/cbt/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 275s PASSED but check mdp file differences 275s Testing dd121 . . . gmx_mpi grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/dd121/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/dd121/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/dd121/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/dd121/topol -maxwarn 10 >grompp.out 2>grompp.err 275s gmx_mpi check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/dd121/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 276s mpirun -np 4 -wdir /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/dd121 gmx_mpi mdrun -notunepme >mdrun.out 2>&1 277s gmx_mpi check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/dd121/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 277s gmx_mpi check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/dd121/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 277s PASSED but check mdp file differences 277s Testing dec+water . . . gmx_mpi grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/dec+water/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/dec+water/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/dec+water/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/dec+water/topol -maxwarn 10 >grompp.out 2>grompp.err 278s gmx_mpi check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/dec+water/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 278s mpirun -np 4 -wdir /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/dec+water gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1 279s gmx_mpi check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/dec+water/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 279s gmx_mpi check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/dec+water/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 279s PASSED but check mdp file differences 279s Testing distance_restraints . . . gmx_mpi grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/distance_restraints/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/distance_restraints/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/distance_restraints/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/distance_restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 279s gmx_mpi check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/distance_restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 280s mpirun -np 1 -wdir /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/distance_restraints gmx_mpi mdrun -notunepme >mdrun.out 2>&1 280s gmx_mpi check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/distance_restraints/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 281s gmx_mpi check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/distance_restraints/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 281s PASSED but check mdp file differences 281s Testing ethyleenglycol . . . gmx_mpi grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/ethyleenglycol/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/ethyleenglycol/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/ethyleenglycol/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/ethyleenglycol/topol -maxwarn 10 >grompp.out 2>grompp.err 281s gmx_mpi check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/ethyleenglycol/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 281s mpirun -np 4 -wdir /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/ethyleenglycol gmx_mpi mdrun -notunepme >mdrun.out 2>&1 282s gmx_mpi check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/ethyleenglycol/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 282s gmx_mpi check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/ethyleenglycol/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 283s PASSED but check mdp file differences 283s Testing field . . . gmx_mpi grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/field/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/field/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/field/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/field/topol -maxwarn 10 >grompp.out 2>grompp.err 283s gmx_mpi check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/field/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 283s mpirun -np 4 -wdir /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/field gmx_mpi mdrun -notunepme >mdrun.out 2>&1 284s gmx_mpi check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/field/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 284s gmx_mpi check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/field/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 284s PASSED but check mdp file differences 284s Testing nacl . . . gmx_mpi grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nacl/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nacl/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nacl/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nacl/topol -maxwarn 10 >grompp.out 2>grompp.err 285s gmx_mpi check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nacl/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 285s mpirun -np 4 -wdir /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nacl gmx_mpi mdrun -notunepme >mdrun.out 2>&1 287s gmx_mpi check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nacl/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 287s gmx_mpi check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nacl/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 287s PASSED but check mdp file differences 287s Testing nbnxn-energy-groups . . . gmx_mpi grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-energy-groups/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-energy-groups/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-energy-groups/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-energy-groups/topol -maxwarn 10 >grompp.out 2>grompp.err 287s gmx_mpi check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-energy-groups/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 288s mpirun -np 4 -wdir /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-energy-groups gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1 289s gmx_mpi check -e /tmp/autopkgtest.4sppbz/build.AAw/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 289s gmx_mpi check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-energy-groups/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 289s PASSED but check mdp file differences 289s Testing nbnxn-free-energy . . . gmx_mpi grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-free-energy/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-free-energy/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-free-energy/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-free-energy/topol -maxwarn 10 >grompp.out 2>grompp.err 290s gmx_mpi check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-free-energy/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 290s mpirun -np 4 -wdir /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-free-energy gmx_mpi mdrun -notunepme >mdrun.out 2>&1 291s gmx_mpi check -e /tmp/autopkgtest.4sppbz/build.AAw/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 291s gmx_mpi check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-free-energy/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 292s PASSED but check mdp file differences 292s Testing nbnxn-free-energy-vv . . . gmx_mpi grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-free-energy-vv/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-free-energy-vv/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-free-energy-vv/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-free-energy-vv/topol -maxwarn 10 >grompp.out 2>grompp.err 292s gmx_mpi check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-free-energy-vv/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 292s mpirun -np 4 -wdir /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-free-energy-vv gmx_mpi mdrun -notunepme >mdrun.out 2>&1 293s gmx_mpi check -e /tmp/autopkgtest.4sppbz/build.AAw/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 293s gmx_mpi check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-free-energy-vv/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 294s PASSED but check mdp file differences 294s Testing nbnxn-ljpme-geometric . . . gmx_mpi grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-ljpme-geometric/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-ljpme-geometric/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-ljpme-geometric/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-ljpme-geometric/topol -maxwarn 10 >grompp.out 2>grompp.err 294s gmx_mpi check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-ljpme-geometric/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 294s mpirun -np 4 -wdir /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-ljpme-geometric gmx_mpi mdrun -notunepme >mdrun.out 2>&1 295s gmx_mpi check -e /tmp/autopkgtest.4sppbz/build.AAw/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 296s gmx_mpi check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-ljpme-geometric/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 296s PASSED but check mdp file differences 296s Testing nbnxn-ljpme-LB . . . gmx_mpi grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-ljpme-LB/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-ljpme-LB/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-ljpme-LB/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-ljpme-LB/topol -maxwarn 10 >grompp.out 2>grompp.err 296s gmx_mpi check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-ljpme-LB/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 297s mpirun -np 4 -wdir /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-ljpme-LB gmx_mpi mdrun -notunepme >mdrun.out 2>&1 299s gmx_mpi check -e /tmp/autopkgtest.4sppbz/build.AAw/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 300s gmx_mpi check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-ljpme-LB/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 300s PASSED but check mdp file differences 300s Testing nbnxn-ljpme-LB-geometric . . . gmx_mpi grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/topol -maxwarn 10 >grompp.out 2>grompp.err 300s gmx_mpi check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 300s mpirun -np 4 -wdir /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-ljpme-LB-geometric gmx_mpi mdrun -notunepme >mdrun.out 2>&1 303s gmx_mpi check -e /tmp/autopkgtest.4sppbz/build.AAw/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 303s gmx_mpi check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 304s PASSED but check mdp file differences 304s Testing nbnxn-vdw-force-switch . . . gmx_mpi grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-vdw-force-switch/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-vdw-force-switch/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-vdw-force-switch/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-vdw-force-switch/topol -maxwarn 10 >grompp.out 2>grompp.err 304s gmx_mpi check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-vdw-force-switch/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 304s mpirun -np 4 -wdir /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-vdw-force-switch gmx_mpi mdrun -notunepme >mdrun.out 2>&1 305s gmx_mpi check -e /tmp/autopkgtest.4sppbz/build.AAw/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 306s gmx_mpi check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-vdw-force-switch/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 306s PASSED but check mdp file differences 306s Testing nbnxn-vdw-potential-switch . . . gmx_mpi grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-vdw-potential-switch/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-vdw-potential-switch/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-vdw-potential-switch/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-vdw-potential-switch/topol -maxwarn 10 >grompp.out 2>grompp.err 306s gmx_mpi check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-vdw-potential-switch/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 306s mpirun -np 4 -wdir /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-vdw-potential-switch gmx_mpi mdrun -notunepme >mdrun.out 2>&1 308s gmx_mpi check -e /tmp/autopkgtest.4sppbz/build.AAw/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 308s gmx_mpi check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-vdw-potential-switch/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 308s PASSED but check mdp file differences 308s Testing nbnxn-vdw-potential-switch-argon . . . gmx_mpi grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/topol -maxwarn 10 >grompp.out 2>grompp.err 308s gmx_mpi check -s1 /tmp/autopkgtest.4sppbz/build.AAw/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 309s mpirun -np 4 -wdir /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon gmx_mpi mdrun -notunepme >mdrun.out 2>&1 309s gmx_mpi check -e /tmp/autopkgtest.4sppbz/build.AAw/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 309s gmx_mpi check -f /tmp/autopkgtest.4sppbz/build.AAw/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 310s PASSED but check mdp file differences 310s Testing nbnxn_pme . . . gmx_mpi grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_pme/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_pme/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_pme/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_pme/topol -maxwarn 10 >grompp.out 2>grompp.err 310s gmx_mpi check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_pme/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 310s mpirun -np 4 -wdir /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_pme gmx_mpi mdrun -notunepme >mdrun.out 2>&1 311s gmx_mpi check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_pme/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 312s gmx_mpi check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_pme/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 312s PASSED but check mdp file differences 312s Testing nbnxn_pme_order5 . . . gmx_mpi grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_pme_order5/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_pme_order5/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_pme_order5/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_pme_order5/topol -maxwarn 10 >grompp.out 2>grompp.err 312s gmx_mpi check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_pme_order5/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 313s mpirun -np 4 -wdir /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_pme_order5 gmx_mpi mdrun -notunepme >mdrun.out 2>&1 314s gmx_mpi check -e /tmp/autopkgtest.4sppbz/build.AAw/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 314s gmx_mpi check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_pme_order5/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 314s PASSED but check mdp file differences 314s Testing nbnxn_pme_order6 . . . gmx_mpi grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_pme_order6/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_pme_order6/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_pme_order6/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_pme_order6/topol -maxwarn 10 >grompp.out 2>grompp.err 315s gmx_mpi check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_pme_order6/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 315s mpirun -np 4 -wdir /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_pme_order6 gmx_mpi mdrun -notunepme >mdrun.out 2>&1 316s gmx_mpi check -e /tmp/autopkgtest.4sppbz/build.AAw/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 316s gmx_mpi check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_pme_order6/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 317s PASSED but check mdp file differences 317s Testing nbnxn_rf . . . gmx_mpi grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_rf/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_rf/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_rf/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_rf/topol -maxwarn 10 >grompp.out 2>grompp.err 317s gmx_mpi check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_rf/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 317s mpirun -np 4 -wdir /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_rf gmx_mpi mdrun -notunepme >mdrun.out 2>&1 318s gmx_mpi check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_rf/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 318s gmx_mpi check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_rf/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 318s PASSED but check mdp file differences 318s Testing nbnxn_rzero . . . gmx_mpi grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_rzero/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_rzero/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_rzero/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_rzero/topol -maxwarn 10 >grompp.out 2>grompp.err 319s gmx_mpi check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_rzero/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 319s mpirun -np 4 -wdir /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_rzero gmx_mpi mdrun -notunepme >mdrun.out 2>&1 319s gmx_mpi check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_rzero/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 320s gmx_mpi check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_rzero/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 320s PASSED but check mdp file differences 320s Testing nbnxn_vsite . . . gmx_mpi grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_vsite/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_vsite/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_vsite/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_vsite/topol -maxwarn 10 >grompp.out 2>grompp.err 320s gmx_mpi check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_vsite/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 320s mpirun -np 4 -wdir /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_vsite gmx_mpi mdrun -notunepme >mdrun.out 2>&1 322s gmx_mpi check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_vsite/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 322s gmx_mpi check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nbnxn_vsite/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 322s PASSED but check mdp file differences 322s Testing nst_mismatch . . . gmx_mpi grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nst_mismatch/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nst_mismatch/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nst_mismatch/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nst_mismatch/topol -maxwarn 10 >grompp.out 2>grompp.err 323s gmx_mpi check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nst_mismatch/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 323s mpirun -np 4 -wdir /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nst_mismatch gmx_mpi mdrun -notunepme >mdrun.out 2>&1 324s gmx_mpi check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nst_mismatch/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 324s gmx_mpi check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/nst_mismatch/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 324s PASSED but check mdp file differences 324s Testing octahedron . . . gmx_mpi grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/octahedron/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/octahedron/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/octahedron/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/octahedron/topol -maxwarn 10 >grompp.out 2>grompp.err 324s gmx_mpi check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/octahedron/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 325s mpirun -np 4 -wdir /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/octahedron gmx_mpi mdrun -notunepme >mdrun.out 2>&1 326s gmx_mpi check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/octahedron/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 327s gmx_mpi check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/octahedron/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 327s PASSED but check mdp file differences 327s Testing orientation-restraints . . . gmx_mpi grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/orientation-restraints/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/orientation-restraints/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/orientation-restraints/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/orientation-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 327s gmx_mpi check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/orientation-restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 328s mpirun -np 1 -wdir /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/orientation-restraints gmx_mpi mdrun -notunepme >mdrun.out 2>&1 332s gmx_mpi check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/orientation-restraints/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 333s gmx_mpi check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/orientation-restraints/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 333s PASSED but check mdp file differences 333s Testing position-restraints . . . gmx_mpi grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/position-restraints/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/position-restraints/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/position-restraints/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/position-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 333s gmx_mpi check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/position-restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 334s mpirun -np 4 -wdir /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/position-restraints gmx_mpi mdrun -notunepme >mdrun.out 2>&1 334s gmx_mpi check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/position-restraints/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 335s gmx_mpi check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/position-restraints/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 335s PASSED but check mdp file differences 335s Testing pr-vrescale . . . gmx_mpi grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pr-vrescale/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pr-vrescale/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pr-vrescale/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pr-vrescale/topol -maxwarn 10 >grompp.out 2>grompp.err 335s gmx_mpi check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pr-vrescale/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 335s mpirun -np 4 -wdir /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pr-vrescale gmx_mpi mdrun -notunepme >mdrun.out 2>&1 336s gmx_mpi check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pr-vrescale/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 337s gmx_mpi check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pr-vrescale/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 337s PASSED but check mdp file differences 337s Testing pull_constraint . . . gmx_mpi grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_constraint/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_constraint/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_constraint/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_constraint/topol -maxwarn 10 -n /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_constraint/index >grompp.out 2>grompp.err 338s gmx_mpi check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_constraint/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 338s mpirun -np 4 -wdir /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_constraint gmx_mpi mdrun -notunepme >mdrun.out 2>&1 338s gmx_mpi check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_constraint/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 339s gmx_mpi check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_constraint/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 339s PASSED but check mdp file differences 339s Testing pull_cylinder . . . gmx_mpi grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_cylinder/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_cylinder/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_cylinder/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_cylinder/topol -maxwarn 10 -n /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_cylinder/index >grompp.out 2>grompp.err 339s gmx_mpi check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_cylinder/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 340s mpirun -np 4 -wdir /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_cylinder gmx_mpi mdrun -notunepme >mdrun.out 2>&1 340s gmx_mpi check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_cylinder/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 340s gmx_mpi check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_cylinder/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 341s PASSED but check mdp file differences 341s Testing pull_geometry_angle . . . gmx_mpi grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_geometry_angle/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_geometry_angle/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_geometry_angle/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_geometry_angle/topol -maxwarn 10 -n /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_geometry_angle/index >grompp.out 2>grompp.err 341s gmx_mpi check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_geometry_angle/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 341s mpirun -np 4 -wdir /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_geometry_angle gmx_mpi mdrun -notunepme >mdrun.out 2>&1 343s gmx_mpi check -e /tmp/autopkgtest.4sppbz/build.AAw/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 343s gmx_mpi check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_geometry_angle/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 343s PASSED but check mdp file differences 343s Testing pull_geometry_angle-axis . . . gmx_mpi grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_geometry_angle-axis/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_geometry_angle-axis/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_geometry_angle-axis/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_geometry_angle-axis/topol -maxwarn 10 -n /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_geometry_angle-axis/index >grompp.out 2>grompp.err 343s gmx_mpi check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_geometry_angle-axis/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 344s mpirun -np 4 -wdir /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_geometry_angle-axis gmx_mpi mdrun -notunepme >mdrun.out 2>&1 345s gmx_mpi check -e /tmp/autopkgtest.4sppbz/build.AAw/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 345s gmx_mpi check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_geometry_angle-axis/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 346s PASSED but check mdp file differences 346s Testing pull_geometry_dihedral . . . gmx_mpi grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_geometry_dihedral/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_geometry_dihedral/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_geometry_dihedral/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_geometry_dihedral/topol -maxwarn 10 -n /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_geometry_dihedral/index >grompp.out 2>grompp.err 346s gmx_mpi check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_geometry_dihedral/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 346s mpirun -np 4 -wdir /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_geometry_dihedral gmx_mpi mdrun -notunepme >mdrun.out 2>&1 348s gmx_mpi check -e /tmp/autopkgtest.4sppbz/build.AAw/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 348s gmx_mpi check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/pull_geometry_dihedral/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 348s PASSED but check mdp file differences 348s Testing reb . . . gmx_mpi grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/reb/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/reb/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/reb/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/reb/topol -maxwarn 10 >grompp.out 2>grompp.err 348s gmx_mpi check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/reb/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 349s mpirun -np 4 -wdir /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/reb gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1 349s gmx_mpi check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/reb/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 349s gmx_mpi check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/reb/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 350s PASSED but check mdp file differences 350s Testing sw . . . gmx_mpi grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/sw/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/sw/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/sw/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/sw/topol -maxwarn 10 >grompp.out 2>grompp.err 350s gmx_mpi check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/sw/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 350s mpirun -np 1 -wdir /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/sw gmx_mpi mdrun -notunepme >mdrun.out 2>&1 351s gmx_mpi check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/sw/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 351s gmx_mpi check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/sw/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 352s PASSED but check mdp file differences 352s Testing tip4p . . . gmx_mpi grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/tip4p/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/tip4p/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/tip4p/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/tip4p/topol -maxwarn 10 >grompp.out 2>grompp.err 352s gmx_mpi check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/tip4p/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 353s mpirun -np 4 -wdir /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/tip4p gmx_mpi mdrun -notunepme >mdrun.out 2>&1 353s gmx_mpi check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/tip4p/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 354s gmx_mpi check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/tip4p/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 354s PASSED but check mdp file differences 354s Testing tip4p_continue . . . gmx_mpi grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/tip4p_continue/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/tip4p_continue/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/tip4p_continue/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/tip4p_continue/topol -maxwarn 10 >grompp.out 2>grompp.err 354s gmx_mpi check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/tip4p_continue/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 355s mpirun -np 4 -wdir /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/tip4p_continue gmx_mpi mdrun -notunepme -cpi /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/tip4p_continue/continue -noappend >mdrun.out 2>&1 355s gmx_mpi check -e /tmp/autopkgtest.4sppbz/build.AAw/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 356s gmx_mpi check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/tip4p_continue/reference_s.trr -f2 traj.part0002.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 356s PASSED but check mdp file differences 356s Testing tip4pflex . . . gmx_mpi grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/tip4pflex/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/tip4pflex/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/tip4pflex/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/tip4pflex/topol -maxwarn 10 >grompp.out 2>grompp.err 356s gmx_mpi check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/tip4pflex/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 356s mpirun -np 4 -wdir /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/tip4pflex gmx_mpi mdrun -notunepme >mdrun.out 2>&1 357s gmx_mpi check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/tip4pflex/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 358s gmx_mpi check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/tip4pflex/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 358s PASSED but check mdp file differences 358s Testing urea . . . gmx_mpi grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/urea/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/urea/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/urea/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/urea/topol -maxwarn 10 >grompp.out 2>grompp.err 358s gmx_mpi check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/urea/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 359s mpirun -np 4 -wdir /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/urea gmx_mpi mdrun -notunepme >mdrun.out 2>&1 359s gmx_mpi check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/urea/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 359s gmx_mpi check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/urea/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 360s PASSED but check mdp file differences 360s Testing walls . . . gmx_mpi grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/walls/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/walls/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/walls/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/walls/topol -maxwarn 10 >grompp.out 2>grompp.err 360s gmx_mpi check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/walls/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 361s mpirun -np 4 -wdir /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/walls gmx_mpi mdrun -notunepme >mdrun.out 2>&1 362s gmx_mpi check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/walls/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 362s gmx_mpi check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/walls/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 362s PASSED but check mdp file differences 362s All 45 complex tests PASSED 362s All 0 extra tests PASSED 362s Testing linfix . . . 362s gmx_mpi grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/linfix/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/linfix/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/linfix/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/linfix/topol -maxwarn 2 >grompp.out 2>grompp.err 362s echo 0 | gmx_mpi make_edi -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/linfix/eigenvec.trr -outfrq 1 -linfix 1 -linstep 0.0013 -o sam.edi 1>make_edi.out 2>make_edi.err 363s mpirun -np 4 -wdir /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/linfix gmx_mpi mdrun -ei sam.edi -eo linfix.xvg >mdrun.out 2>&1 363s Comparing column #0 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 0 363s Comparing column #1 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 0.05 363s Comparing column #2 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 1e-06 363s Testing linacc . . . 363s gmx_mpi grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/linacc/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/linacc/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/linacc/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/linacc/topol -maxwarn 2 >grompp.out 2>grompp.err 364s echo 0 | gmx_mpi make_edi -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/linacc/eigenvec.trr -outfrq 2 -linacc 1 -accdir +1 -o sam.edi 1>make_edi.out 2>make_edi.err 364s mpirun -np 4 -wdir /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/linacc gmx_mpi mdrun -ei sam.edi -eo linacc.xvg >mdrun.out 2>&1 364s Comparing column #0 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0 364s Comparing column #1 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0.005 364s Comparing column #2 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0.001 364s Checking monotonicity for column 2 of file linacc.xvg ... values of column 2 are increasing monotonically. 364s Testing radfix . . . 364s gmx_mpi grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/radfix/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/radfix/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/radfix/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/radfix/topol -maxwarn 2 >grompp.out 2>grompp.err 365s echo 0 | gmx_mpi make_edi -f /tmp/autopkgtest.4sppbz/build.AAw/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 365s mpirun -np 4 -wdir /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/radfix gmx_mpi mdrun -ei sam.edi -eo radfix.xvg >mdrun.out 2>&1 365s Comparing column #0 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0 365s Comparing column #1 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0.05 365s Comparing column #4 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0 365s Checking radius for file radfix.xvg ... all values within tolerance of 1e-05 365s Testing radacc . . . 365s gmx_mpi grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/radacc/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/radacc/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/radacc/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/radacc/topol -maxwarn 2 >grompp.out 2>grompp.err 366s echo 0 | gmx_mpi make_edi -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/radacc/eigenvec.trr -outfrq 3 -radacc 1-2 -o sam.edi 1>make_edi.out 2>make_edi.err 366s mpirun -np 4 -wdir /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/radacc gmx_mpi mdrun -ei sam.edi -eo radacc.xvg >mdrun.out 2>&1 366s Comparing column #0 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/radacc/edsam_reference.xvg and radacc.xvg ... all within tolerance of 0 366s Comparing column #1 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/radacc/edsam_reference.xvg and radacc.xvg ... all within tolerance of 0.05 366s Checking radius for file radacc.xvg ... all values within tolerance of 1e-05 366s Checking monotonicity for column 4 of file radacc.xvg ... values of column 4 are increasing monotonically. 366s Testing radcon . . . 366s gmx_mpi grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/radcon/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/radcon/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/radcon/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/radcon/topol -maxwarn 2 >grompp.out 2>grompp.err 367s echo 0 0 | gmx_mpi make_edi -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/radcon/eigenvec.trr -outfrq 1 -radcon 1-2 -tar /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/radcon/target.pdb -o sam.edi 1>make_edi.out 2>make_edi.err 367s mpirun -np 4 -wdir /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/radcon gmx_mpi mdrun -ei sam.edi -eo radcon.xvg >mdrun.out 2>&1 367s Comparing column #0 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/radcon/edsam_reference.xvg and radcon.xvg ... all within tolerance of 0 367s Comparing column #1 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/radcon/edsam_reference.xvg and radcon.xvg ... all within tolerance of 0.05 367s Checking radius for file radcon.xvg ... all values within tolerance of 1e-05 367s Checking monotonicity for column 4 of file radcon.xvg ... values of column 4 are decreasing monotonically. 367s Testing flooding1 . . . 367s gmx_mpi grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding1/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding1/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding1/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding1/topol -maxwarn 2 >grompp.out 2>grompp.err 368s mpirun -np 4 -wdir /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding1 gmx_mpi mdrun -ei /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding1/sam.edi -eo flooding1.xvg >mdrun.out 2>&1 369s Comparing column #0 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 0 369s Comparing column #1 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 369s Comparing column #2 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 369s Comparing column #3 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 369s Comparing column #4 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 369s Comparing column #5 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 369s Comparing column #6 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 369s Comparing column #7 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 369s Testing flooding2 . . . 369s gmx_mpi grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding2/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding2/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding2/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding2/topol -maxwarn 2 >grompp.out 2>grompp.err 370s mpirun -np 4 -wdir /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding2 gmx_mpi mdrun -ei /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding2/sam.edi -eo flooding2.xvg >mdrun.out 2>&1 371s Comparing column #0 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0 371s Comparing column #1 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.05 371s Comparing column #2 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.025 371s Comparing column #3 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 250 371s Comparing column #4 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 1000 371s Comparing column #5 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.025 371s Comparing column #6 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 250 371s Comparing column #7 of .xvg files /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 1000 371s All 7 essential dynamics tests PASSED 371s Cleaning acetonitrilRF 371s Cleaning aminoacids 371s Cleaning argon 371s Cleaning awh_multibias 371s Cleaning awh_multidim 371s Cleaning butane 371s Cleaning cbt 371s Cleaning dd121 371s Cleaning dec+water 371s Cleaning distance_restraints 371s Cleaning ethyleenglycol 371s Cleaning field 371s Cleaning nacl 371s Cleaning nbnxn-energy-groups 371s Cleaning nbnxn-free-energy 371s Cleaning nbnxn-free-energy-vv 371s Cleaning nbnxn-ljpme-geometric 371s Cleaning nbnxn-ljpme-LB 371s Cleaning nbnxn-ljpme-LB-geometric 371s Cleaning nbnxn-vdw-force-switch 371s Cleaning nbnxn-vdw-potential-switch 371s Cleaning nbnxn-vdw-potential-switch-argon 371s Cleaning nbnxn_pme 371s Cleaning nbnxn_pme_order5 371s Cleaning nbnxn_pme_order6 371s Cleaning nbnxn_rf 371s Cleaning nbnxn_rzero 371s Cleaning nbnxn_vsite 371s Cleaning nst_mismatch 371s Cleaning octahedron 371s Cleaning orientation-restraints 371s Cleaning position-restraints 371s Cleaning pr-vrescale 371s Cleaning pull_constraint 371s Cleaning pull_cylinder 371s Cleaning pull_geometry_angle 371s Cleaning pull_geometry_angle-axis 371s Cleaning pull_geometry_dihedral 371s Cleaning reb 371s Cleaning sw 371s Cleaning tip4p 371s Cleaning tip4p_continue 371s Cleaning tip4pflex 371s Cleaning urea 371s Cleaning walls 371s Cleaning flooding1 371s Cleaning flooding2 371s Cleaning linacc 371s Cleaning linfix 371s Cleaning radacc 371s Cleaning radcon 371s Cleaning radfix 371s autopkgtest [22:58:50]: test gromacs-regressiontests: -----------------------] 372s autopkgtest [22:58:51]: test gromacs-regressiontests: - - - - - - - - - - results - - - - - - - - - - 372s gromacs-regressiontests PASS 372s autopkgtest [22:58:51]: test gromacs-regressiontests-flaky: preparing testbed 451s autopkgtest [23:00:10]: testbed dpkg architecture: amd64 451s autopkgtest [23:00:10]: testbed apt version: 3.0.0 452s autopkgtest [23:00:11]: @@@@@@@@@@@@@@@@@@@@ test bed setup 452s autopkgtest [23:00:11]: testbed release detected to be: questing 453s autopkgtest [23:00:12]: updating testbed package index (apt update) 453s Get:1 http://ftpmaster.internal/ubuntu questing-proposed InRelease [110 kB] 453s Hit:2 http://ftpmaster.internal/ubuntu questing InRelease 453s Hit:3 http://ftpmaster.internal/ubuntu questing-updates InRelease 453s Hit:4 http://ftpmaster.internal/ubuntu questing-security InRelease 454s Get:5 http://ftpmaster.internal/ubuntu questing-proposed/main Sources [179 kB] 454s Get:6 http://ftpmaster.internal/ubuntu questing-proposed/multiverse Sources [57.4 kB] 454s Get:7 http://ftpmaster.internal/ubuntu questing-proposed/universe Sources [2255 kB] 454s Get:8 http://ftpmaster.internal/ubuntu questing-proposed/main amd64 Packages [208 kB] 454s Get:9 http://ftpmaster.internal/ubuntu questing-proposed/main i386 Packages [157 kB] 454s Get:10 http://ftpmaster.internal/ubuntu questing-proposed/universe i386 Packages [382 kB] 454s Get:11 http://ftpmaster.internal/ubuntu questing-proposed/universe amd64 Packages [765 kB] 454s Get:12 http://ftpmaster.internal/ubuntu questing-proposed/multiverse amd64 Packages [3312 B] 454s Get:13 http://ftpmaster.internal/ubuntu questing-proposed/multiverse i386 Packages [6544 B] 454s Fetched 4123 kB in 1s (3447 kB/s) 455s Reading package lists... 456s autopkgtest [23:00:15]: upgrading testbed (apt dist-upgrade and autopurge) 456s Reading package lists... 456s Building dependency tree... 456s Reading state information... 456s Calculating upgrade...Starting pkgProblemResolver with broken count: 0 457s Starting 2 pkgProblemResolver with broken count: 0 457s Done 457s Entering ResolveByKeep 457s 458s Calculating upgrade... 458s The following packages will be upgraded: 458s dpkg dpkg-dev libdpkg-perl 458s 3 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. 458s Need to get 2676 kB of archives. 458s After this operation, 130 kB disk space will be freed. 458s Get:1 http://ftpmaster.internal/ubuntu questing/main amd64 dpkg amd64 1.22.18ubuntu3 [1306 kB] 458s Get:2 http://ftpmaster.internal/ubuntu questing/main amd64 dpkg-dev all 1.22.18ubuntu3 [1089 kB] 458s Get:3 http://ftpmaster.internal/ubuntu questing/main amd64 libdpkg-perl all 1.22.18ubuntu3 [281 kB] 459s Fetched 2676 kB in 1s (3791 kB/s) 459s (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 ... 80514 files and directories currently installed.) 459s Preparing to unpack .../dpkg_1.22.18ubuntu3_amd64.deb ... 459s Unpacking dpkg (1.22.18ubuntu3) over (1.22.18ubuntu2) ... 459s Setting up dpkg (1.22.18ubuntu3) ... 460s (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 ... 80514 files and directories currently installed.) 460s Preparing to unpack .../dpkg-dev_1.22.18ubuntu3_all.deb ... 460s Unpacking dpkg-dev (1.22.18ubuntu3) over (1.22.18ubuntu2) ... 460s Preparing to unpack .../libdpkg-perl_1.22.18ubuntu3_all.deb ... 460s Unpacking libdpkg-perl (1.22.18ubuntu3) over (1.22.18ubuntu2) ... 460s Setting up libdpkg-perl (1.22.18ubuntu3) ... 460s Setting up dpkg-dev (1.22.18ubuntu3) ... 460s Processing triggers for man-db (2.13.0-1) ... 462s Reading package lists... 462s Building dependency tree... 462s Reading state information... 462s Starting pkgProblemResolver with broken count: 0 462s Starting 2 pkgProblemResolver with broken count: 0 462s Done 463s Solving dependencies... 463s 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. 463s autopkgtest [23:00:22]: rebooting testbed after setup commands that affected boot 489s Reading package lists... 489s Building dependency tree... 489s Reading state information... 489s Starting pkgProblemResolver with broken count: 0 489s Starting 2 pkgProblemResolver with broken count: 0 489s Done 490s The following NEW packages will be installed: 490s build-essential cpp cpp-14 cpp-14-x86-64-linux-gnu cpp-x86-64-linux-gnu 490s fonts-mathjax g++ g++-14 g++-14-x86-64-linux-gnu g++-x86-64-linux-gnu gcc 490s gcc-14 gcc-14-x86-64-linux-gnu gcc-x86-64-linux-gnu gromacs gromacs-data 490s isa-support libamd-comgr2 libamdhip64-5 libasan8 libblas3 libcc1-0 490s libevent-pthreads-2.1-7t64 libfabric1 libfftw3-bin libfftw3-dev 490s libfftw3-double3 libfftw3-long3 libfftw3-quad3 libfftw3-single3 490s libgcc-14-dev libgfortran5 libgomp1 libgromacs-dev libgromacs10 490s libhsa-runtime64-1 libhsakmt1 libhwasan0 libhwloc-plugins libhwloc15 490s libibmad5 libibumad3 libisl23 libitm1 libjs-mathjax liblapack3 libllvm17t64 490s liblsan0 libmpc3 libmunge2 libmuparser2v5 libnblib-gmx-dev libnblib-gmx0 490s libopenmpi40 libpciaccess0 libpmix2t64 libpsm-infinipath1 libpsm2-2 490s libquadmath0 librdmacm1t64 libstdc++-14-dev libtsan2 libubsan1 libucx0 490s libxnvctrl0 ocl-icd-libopencl1 sse4.2-support 490s 0 upgraded, 67 newly installed, 0 to remove and 0 not upgraded. 490s Need to get 219 MB of archives. 490s After this operation, 974 MB of additional disk space will be used. 490s Get:1 http://ftpmaster.internal/ubuntu questing-proposed/main amd64 isa-support amd64 27 [16.1 kB] 490s Get:2 http://ftpmaster.internal/ubuntu questing-proposed/main amd64 sse4.2-support amd64 27 [3668 B] 490s Get:3 http://ftpmaster.internal/ubuntu questing/main amd64 libisl23 amd64 0.27-1 [685 kB] 490s Get:4 http://ftpmaster.internal/ubuntu questing/main amd64 libmpc3 amd64 1.3.1-1build2 [55.3 kB] 490s Get:5 http://ftpmaster.internal/ubuntu questing/main amd64 cpp-14-x86-64-linux-gnu amd64 14.2.0-19ubuntu2 [11.9 MB] 492s Get:6 http://ftpmaster.internal/ubuntu questing/main amd64 cpp-14 amd64 14.2.0-19ubuntu2 [1030 B] 492s Get:7 http://ftpmaster.internal/ubuntu questing/main amd64 cpp-x86-64-linux-gnu amd64 4:14.2.0-1ubuntu1 [5586 B] 492s Get:8 http://ftpmaster.internal/ubuntu questing/main amd64 cpp amd64 4:14.2.0-1ubuntu1 [22.4 kB] 492s Get:9 http://ftpmaster.internal/ubuntu questing/main amd64 libcc1-0 amd64 15-20250404-0ubuntu1 [47.1 kB] 492s Get:10 http://ftpmaster.internal/ubuntu questing/main amd64 libgomp1 amd64 15-20250404-0ubuntu1 [151 kB] 492s Get:11 http://ftpmaster.internal/ubuntu questing/main amd64 libitm1 amd64 15-20250404-0ubuntu1 [29.5 kB] 492s Get:12 http://ftpmaster.internal/ubuntu questing/main amd64 libasan8 amd64 15-20250404-0ubuntu1 [3076 kB] 492s Get:13 http://ftpmaster.internal/ubuntu questing/main amd64 liblsan0 amd64 15-20250404-0ubuntu1 [1362 kB] 492s Get:14 http://ftpmaster.internal/ubuntu questing/main amd64 libtsan2 amd64 15-20250404-0ubuntu1 [2760 kB] 492s Get:15 http://ftpmaster.internal/ubuntu questing/main amd64 libubsan1 amd64 15-20250404-0ubuntu1 [1211 kB] 492s Get:16 http://ftpmaster.internal/ubuntu questing/main amd64 libhwasan0 amd64 15-20250404-0ubuntu1 [1687 kB] 492s Get:17 http://ftpmaster.internal/ubuntu questing/main amd64 libquadmath0 amd64 15-20250404-0ubuntu1 [153 kB] 492s Get:18 http://ftpmaster.internal/ubuntu questing/main amd64 libgcc-14-dev amd64 14.2.0-19ubuntu2 [2815 kB] 492s Get:19 http://ftpmaster.internal/ubuntu questing/main amd64 gcc-14-x86-64-linux-gnu amd64 14.2.0-19ubuntu2 [23.3 MB] 493s Get:20 http://ftpmaster.internal/ubuntu questing/main amd64 gcc-14 amd64 14.2.0-19ubuntu2 [540 kB] 493s Get:21 http://ftpmaster.internal/ubuntu questing/main amd64 gcc-x86-64-linux-gnu amd64 4:14.2.0-1ubuntu1 [1208 B] 493s Get:22 http://ftpmaster.internal/ubuntu questing/main amd64 gcc amd64 4:14.2.0-1ubuntu1 [5004 B] 493s Get:23 http://ftpmaster.internal/ubuntu questing/main amd64 libstdc++-14-dev amd64 14.2.0-19ubuntu2 [2510 kB] 493s Get:24 http://ftpmaster.internal/ubuntu questing/main amd64 g++-14-x86-64-linux-gnu amd64 14.2.0-19ubuntu2 [13.4 MB] 493s Get:25 http://ftpmaster.internal/ubuntu questing/main amd64 g++-14 amd64 14.2.0-19ubuntu2 [23.0 kB] 493s Get:26 http://ftpmaster.internal/ubuntu questing/main amd64 g++-x86-64-linux-gnu amd64 4:14.2.0-1ubuntu1 [968 B] 493s Get:27 http://ftpmaster.internal/ubuntu questing/main amd64 g++ amd64 4:14.2.0-1ubuntu1 [1100 B] 493s Get:28 http://ftpmaster.internal/ubuntu questing/main amd64 build-essential amd64 12.12ubuntu1 [5080 B] 493s Get:29 http://ftpmaster.internal/ubuntu questing/main amd64 fonts-mathjax all 2.7.9+dfsg-1 [2208 kB] 494s Get:30 http://ftpmaster.internal/ubuntu questing/universe amd64 libllvm17t64 amd64 1:17.0.6-21 [26.0 MB] 494s Get:31 http://ftpmaster.internal/ubuntu questing/universe amd64 libamd-comgr2 amd64 6.0+git20231212.4510c28+dfsg-3build2 [14.4 MB] 495s Get:32 http://ftpmaster.internal/ubuntu questing/universe amd64 libhsakmt1 amd64 5.7.0-1build1 [62.9 kB] 495s Get:33 http://ftpmaster.internal/ubuntu questing/universe amd64 libhsa-runtime64-1 amd64 5.7.1-2build1 [491 kB] 495s Get:34 http://ftpmaster.internal/ubuntu questing/universe amd64 libamdhip64-5 amd64 5.7.1-5build1 [9702 kB] 495s Get:35 http://ftpmaster.internal/ubuntu questing/main amd64 libblas3 amd64 3.12.1-2 [359 kB] 495s Get:36 http://ftpmaster.internal/ubuntu questing/main amd64 libevent-pthreads-2.1-7t64 amd64 2.1.12-stable-10 [7966 B] 495s Get:37 http://ftpmaster.internal/ubuntu questing/universe amd64 libpsm-infinipath1 amd64 3.3+20.604758e7-6.3build1 [178 kB] 495s Get:38 http://ftpmaster.internal/ubuntu questing/universe amd64 libpsm2-2 amd64 11.2.185-2.1 [193 kB] 495s Get:39 http://ftpmaster.internal/ubuntu questing/main amd64 librdmacm1t64 amd64 56.0-4ubuntu1 [71.5 kB] 495s Get:40 http://ftpmaster.internal/ubuntu questing/universe amd64 libfabric1 amd64 1.17.0-3.1 [789 kB] 495s Get:41 http://ftpmaster.internal/ubuntu questing/main amd64 libfftw3-double3 amd64 3.3.10-2fakesync1build1 [839 kB] 495s Get:42 http://ftpmaster.internal/ubuntu questing/main amd64 libfftw3-long3 amd64 3.3.10-2fakesync1build1 [378 kB] 495s Get:43 http://ftpmaster.internal/ubuntu questing/main amd64 libfftw3-quad3 amd64 3.3.10-2fakesync1build1 [669 kB] 496s Get:44 http://ftpmaster.internal/ubuntu questing/main amd64 libfftw3-single3 amd64 3.3.10-2fakesync1build1 [871 kB] 496s Get:45 http://ftpmaster.internal/ubuntu questing/main amd64 libfftw3-bin amd64 3.3.10-2fakesync1build1 [39.2 kB] 496s Get:46 http://ftpmaster.internal/ubuntu questing/main amd64 libfftw3-dev amd64 3.3.10-2fakesync1build1 [2349 kB] 496s Get:47 http://ftpmaster.internal/ubuntu questing/main amd64 libgfortran5 amd64 15-20250404-0ubuntu1 [926 kB] 496s Get:48 http://ftpmaster.internal/ubuntu questing/universe amd64 libhwloc15 amd64 2.12.0-1 [194 kB] 496s Get:49 http://ftpmaster.internal/ubuntu questing/main amd64 liblapack3 amd64 3.12.1-2 [3179 kB] 496s Get:50 http://ftpmaster.internal/ubuntu questing/universe amd64 libmuparser2v5 amd64 2.3.4-1 [137 kB] 496s Get:51 http://ftpmaster.internal/ubuntu questing/universe amd64 libmunge2 amd64 0.5.16-1 [16.5 kB] 496s Get:52 http://ftpmaster.internal/ubuntu questing/main amd64 libpciaccess0 amd64 0.17-3build1 [18.6 kB] 496s Get:53 http://ftpmaster.internal/ubuntu questing/main amd64 libxnvctrl0 amd64 510.47.03-0ubuntu4 [12.6 kB] 496s Get:54 http://ftpmaster.internal/ubuntu questing/universe amd64 ocl-icd-libopencl1 amd64 2.3.2-1build1 [38.5 kB] 496s Get:55 http://ftpmaster.internal/ubuntu questing/universe amd64 libhwloc-plugins amd64 2.12.0-1 [16.0 kB] 496s Get:56 http://ftpmaster.internal/ubuntu questing/universe amd64 libpmix2t64 amd64 5.0.6-5 [714 kB] 496s Get:57 http://ftpmaster.internal/ubuntu questing/main amd64 libibumad3 amd64 56.0-4ubuntu1 [31.2 kB] 496s Get:58 http://ftpmaster.internal/ubuntu questing/main amd64 libibmad5 amd64 56.0-4ubuntu1 [43.9 kB] 496s Get:59 http://ftpmaster.internal/ubuntu questing/universe amd64 libucx0 amd64 1.18.1+ds-2 [1293 kB] 496s Get:60 http://ftpmaster.internal/ubuntu questing/universe amd64 libopenmpi40 amd64 5.0.7-1 [2526 kB] 496s Get:61 http://ftpmaster.internal/ubuntu questing/universe amd64 libgromacs10 amd64 2025.0-2 [34.3 MB] 497s Get:62 http://ftpmaster.internal/ubuntu questing/universe amd64 libnblib-gmx0 amd64 2025.0-2 [338 kB] 497s Get:63 http://ftpmaster.internal/ubuntu questing/universe amd64 libnblib-gmx-dev amd64 2025.0-2 [26.2 kB] 497s Get:64 http://ftpmaster.internal/ubuntu questing/main amd64 libjs-mathjax all 2.7.9+dfsg-1 [5665 kB] 497s Get:65 http://ftpmaster.internal/ubuntu questing/universe amd64 gromacs-data all 2025.0-2 [43.8 MB] 498s Get:66 http://ftpmaster.internal/ubuntu questing/universe amd64 gromacs amd64 2025.0-2 [55.6 kB] 498s Get:67 http://ftpmaster.internal/ubuntu questing/universe amd64 libgromacs-dev amd64 2025.0-2 [170 kB] 499s Preconfiguring packages ... 499s Fetched 219 MB in 8s (25.8 MB/s) 499s Selecting previously unselected package isa-support:amd64. 499s (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 ... 80514 files and directories currently installed.) 499s Preparing to unpack .../isa-support_27_amd64.deb ... 499s Unpacking isa-support:amd64 (27) ... 499s Setting up isa-support:amd64 (27) ... 499s Selecting previously unselected package sse4.2-support. 499s (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 ... 80535 files and directories currently installed.) 499s Preparing to unpack .../00-sse4.2-support_27_amd64.deb ... 499s Unpacking sse4.2-support (27) ... 499s Selecting previously unselected package libisl23:amd64. 499s Preparing to unpack .../01-libisl23_0.27-1_amd64.deb ... 499s Unpacking libisl23:amd64 (0.27-1) ... 499s Selecting previously unselected package libmpc3:amd64. 499s Preparing to unpack .../02-libmpc3_1.3.1-1build2_amd64.deb ... 499s Unpacking libmpc3:amd64 (1.3.1-1build2) ... 499s Selecting previously unselected package cpp-14-x86-64-linux-gnu. 499s Preparing to unpack .../03-cpp-14-x86-64-linux-gnu_14.2.0-19ubuntu2_amd64.deb ... 499s Unpacking cpp-14-x86-64-linux-gnu (14.2.0-19ubuntu2) ... 500s Selecting previously unselected package cpp-14. 500s Preparing to unpack .../04-cpp-14_14.2.0-19ubuntu2_amd64.deb ... 500s Unpacking cpp-14 (14.2.0-19ubuntu2) ... 500s Selecting previously unselected package cpp-x86-64-linux-gnu. 500s Preparing to unpack .../05-cpp-x86-64-linux-gnu_4%3a14.2.0-1ubuntu1_amd64.deb ... 500s Unpacking cpp-x86-64-linux-gnu (4:14.2.0-1ubuntu1) ... 500s Selecting previously unselected package cpp. 500s Preparing to unpack .../06-cpp_4%3a14.2.0-1ubuntu1_amd64.deb ... 500s Unpacking cpp (4:14.2.0-1ubuntu1) ... 500s Selecting previously unselected package libcc1-0:amd64. 500s Preparing to unpack .../07-libcc1-0_15-20250404-0ubuntu1_amd64.deb ... 500s Unpacking libcc1-0:amd64 (15-20250404-0ubuntu1) ... 500s Selecting previously unselected package libgomp1:amd64. 500s Preparing to unpack .../08-libgomp1_15-20250404-0ubuntu1_amd64.deb ... 500s Unpacking libgomp1:amd64 (15-20250404-0ubuntu1) ... 500s Selecting previously unselected package libitm1:amd64. 500s Preparing to unpack .../09-libitm1_15-20250404-0ubuntu1_amd64.deb ... 500s Unpacking libitm1:amd64 (15-20250404-0ubuntu1) ... 500s Selecting previously unselected package libasan8:amd64. 500s Preparing to unpack .../10-libasan8_15-20250404-0ubuntu1_amd64.deb ... 500s Unpacking libasan8:amd64 (15-20250404-0ubuntu1) ... 500s Selecting previously unselected package liblsan0:amd64. 500s Preparing to unpack .../11-liblsan0_15-20250404-0ubuntu1_amd64.deb ... 500s Unpacking liblsan0:amd64 (15-20250404-0ubuntu1) ... 500s Selecting previously unselected package libtsan2:amd64. 500s Preparing to unpack .../12-libtsan2_15-20250404-0ubuntu1_amd64.deb ... 500s Unpacking libtsan2:amd64 (15-20250404-0ubuntu1) ... 500s Selecting previously unselected package libubsan1:amd64. 500s Preparing to unpack .../13-libubsan1_15-20250404-0ubuntu1_amd64.deb ... 500s Unpacking libubsan1:amd64 (15-20250404-0ubuntu1) ... 500s Selecting previously unselected package libhwasan0:amd64. 500s Preparing to unpack .../14-libhwasan0_15-20250404-0ubuntu1_amd64.deb ... 500s Unpacking libhwasan0:amd64 (15-20250404-0ubuntu1) ... 500s Selecting previously unselected package libquadmath0:amd64. 500s Preparing to unpack .../15-libquadmath0_15-20250404-0ubuntu1_amd64.deb ... 500s Unpacking libquadmath0:amd64 (15-20250404-0ubuntu1) ... 500s Selecting previously unselected package libgcc-14-dev:amd64. 500s Preparing to unpack .../16-libgcc-14-dev_14.2.0-19ubuntu2_amd64.deb ... 500s Unpacking libgcc-14-dev:amd64 (14.2.0-19ubuntu2) ... 500s Selecting previously unselected package gcc-14-x86-64-linux-gnu. 500s Preparing to unpack .../17-gcc-14-x86-64-linux-gnu_14.2.0-19ubuntu2_amd64.deb ... 500s Unpacking gcc-14-x86-64-linux-gnu (14.2.0-19ubuntu2) ... 501s Selecting previously unselected package gcc-14. 501s Preparing to unpack .../18-gcc-14_14.2.0-19ubuntu2_amd64.deb ... 501s Unpacking gcc-14 (14.2.0-19ubuntu2) ... 501s Selecting previously unselected package gcc-x86-64-linux-gnu. 501s Preparing to unpack .../19-gcc-x86-64-linux-gnu_4%3a14.2.0-1ubuntu1_amd64.deb ... 501s Unpacking gcc-x86-64-linux-gnu (4:14.2.0-1ubuntu1) ... 501s Selecting previously unselected package gcc. 501s Preparing to unpack .../20-gcc_4%3a14.2.0-1ubuntu1_amd64.deb ... 501s Unpacking gcc (4:14.2.0-1ubuntu1) ... 501s Selecting previously unselected package libstdc++-14-dev:amd64. 501s Preparing to unpack .../21-libstdc++-14-dev_14.2.0-19ubuntu2_amd64.deb ... 501s Unpacking libstdc++-14-dev:amd64 (14.2.0-19ubuntu2) ... 501s Selecting previously unselected package g++-14-x86-64-linux-gnu. 501s Preparing to unpack .../22-g++-14-x86-64-linux-gnu_14.2.0-19ubuntu2_amd64.deb ... 501s Unpacking g++-14-x86-64-linux-gnu (14.2.0-19ubuntu2) ... 501s Selecting previously unselected package g++-14. 501s Preparing to unpack .../23-g++-14_14.2.0-19ubuntu2_amd64.deb ... 501s Unpacking g++-14 (14.2.0-19ubuntu2) ... 501s Selecting previously unselected package g++-x86-64-linux-gnu. 501s Preparing to unpack .../24-g++-x86-64-linux-gnu_4%3a14.2.0-1ubuntu1_amd64.deb ... 501s Unpacking g++-x86-64-linux-gnu (4:14.2.0-1ubuntu1) ... 501s Selecting previously unselected package g++. 501s Preparing to unpack .../25-g++_4%3a14.2.0-1ubuntu1_amd64.deb ... 501s Unpacking g++ (4:14.2.0-1ubuntu1) ... 501s Selecting previously unselected package build-essential. 501s Preparing to unpack .../26-build-essential_12.12ubuntu1_amd64.deb ... 501s Unpacking build-essential (12.12ubuntu1) ... 501s Selecting previously unselected package fonts-mathjax. 501s Preparing to unpack .../27-fonts-mathjax_2.7.9+dfsg-1_all.deb ... 501s Unpacking fonts-mathjax (2.7.9+dfsg-1) ... 501s Selecting previously unselected package libllvm17t64:amd64. 501s Preparing to unpack .../28-libllvm17t64_1%3a17.0.6-21_amd64.deb ... 501s Unpacking libllvm17t64:amd64 (1:17.0.6-21) ... 502s Selecting previously unselected package libamd-comgr2:amd64. 502s Preparing to unpack .../29-libamd-comgr2_6.0+git20231212.4510c28+dfsg-3build2_amd64.deb ... 502s Unpacking libamd-comgr2:amd64 (6.0+git20231212.4510c28+dfsg-3build2) ... 502s Selecting previously unselected package libhsakmt1:amd64. 502s Preparing to unpack .../30-libhsakmt1_5.7.0-1build1_amd64.deb ... 502s Unpacking libhsakmt1:amd64 (5.7.0-1build1) ... 502s Selecting previously unselected package libhsa-runtime64-1. 502s Preparing to unpack .../31-libhsa-runtime64-1_5.7.1-2build1_amd64.deb ... 502s Unpacking libhsa-runtime64-1 (5.7.1-2build1) ... 502s Selecting previously unselected package libamdhip64-5. 502s Preparing to unpack .../32-libamdhip64-5_5.7.1-5build1_amd64.deb ... 502s Unpacking libamdhip64-5 (5.7.1-5build1) ... 502s Selecting previously unselected package libblas3:amd64. 502s Preparing to unpack .../33-libblas3_3.12.1-2_amd64.deb ... 502s Unpacking libblas3:amd64 (3.12.1-2) ... 503s Selecting previously unselected package libevent-pthreads-2.1-7t64:amd64. 503s Preparing to unpack .../34-libevent-pthreads-2.1-7t64_2.1.12-stable-10_amd64.deb ... 503s Unpacking libevent-pthreads-2.1-7t64:amd64 (2.1.12-stable-10) ... 503s Selecting previously unselected package libpsm-infinipath1. 503s Preparing to unpack .../35-libpsm-infinipath1_3.3+20.604758e7-6.3build1_amd64.deb ... 503s Unpacking libpsm-infinipath1 (3.3+20.604758e7-6.3build1) ... 503s Selecting previously unselected package libpsm2-2. 503s Preparing to unpack .../36-libpsm2-2_11.2.185-2.1_amd64.deb ... 503s Unpacking libpsm2-2 (11.2.185-2.1) ... 503s Selecting previously unselected package librdmacm1t64:amd64. 503s Preparing to unpack .../37-librdmacm1t64_56.0-4ubuntu1_amd64.deb ... 503s Unpacking librdmacm1t64:amd64 (56.0-4ubuntu1) ... 503s Selecting previously unselected package libfabric1:amd64. 503s Preparing to unpack .../38-libfabric1_1.17.0-3.1_amd64.deb ... 503s Unpacking libfabric1:amd64 (1.17.0-3.1) ... 503s Selecting previously unselected package libfftw3-double3:amd64. 503s Preparing to unpack .../39-libfftw3-double3_3.3.10-2fakesync1build1_amd64.deb ... 503s Unpacking libfftw3-double3:amd64 (3.3.10-2fakesync1build1) ... 503s Selecting previously unselected package libfftw3-long3:amd64. 503s Preparing to unpack .../40-libfftw3-long3_3.3.10-2fakesync1build1_amd64.deb ... 503s Unpacking libfftw3-long3:amd64 (3.3.10-2fakesync1build1) ... 503s Selecting previously unselected package libfftw3-quad3:amd64. 503s Preparing to unpack .../41-libfftw3-quad3_3.3.10-2fakesync1build1_amd64.deb ... 503s Unpacking libfftw3-quad3:amd64 (3.3.10-2fakesync1build1) ... 503s Selecting previously unselected package libfftw3-single3:amd64. 503s Preparing to unpack .../42-libfftw3-single3_3.3.10-2fakesync1build1_amd64.deb ... 503s Unpacking libfftw3-single3:amd64 (3.3.10-2fakesync1build1) ... 503s Selecting previously unselected package libfftw3-bin. 503s Preparing to unpack .../43-libfftw3-bin_3.3.10-2fakesync1build1_amd64.deb ... 503s Unpacking libfftw3-bin (3.3.10-2fakesync1build1) ... 503s Selecting previously unselected package libfftw3-dev:amd64. 503s Preparing to unpack .../44-libfftw3-dev_3.3.10-2fakesync1build1_amd64.deb ... 503s Unpacking libfftw3-dev:amd64 (3.3.10-2fakesync1build1) ... 503s Selecting previously unselected package libgfortran5:amd64. 503s Preparing to unpack .../45-libgfortran5_15-20250404-0ubuntu1_amd64.deb ... 503s Unpacking libgfortran5:amd64 (15-20250404-0ubuntu1) ... 503s Selecting previously unselected package libhwloc15:amd64. 503s Preparing to unpack .../46-libhwloc15_2.12.0-1_amd64.deb ... 503s Unpacking libhwloc15:amd64 (2.12.0-1) ... 503s Selecting previously unselected package liblapack3:amd64. 503s Preparing to unpack .../47-liblapack3_3.12.1-2_amd64.deb ... 503s Unpacking liblapack3:amd64 (3.12.1-2) ... 503s Selecting previously unselected package libmuparser2v5:amd64. 503s Preparing to unpack .../48-libmuparser2v5_2.3.4-1_amd64.deb ... 503s Unpacking libmuparser2v5:amd64 (2.3.4-1) ... 503s Selecting previously unselected package libmunge2:amd64. 503s Preparing to unpack .../49-libmunge2_0.5.16-1_amd64.deb ... 503s Unpacking libmunge2:amd64 (0.5.16-1) ... 503s Selecting previously unselected package libpciaccess0:amd64. 503s Preparing to unpack .../50-libpciaccess0_0.17-3build1_amd64.deb ... 503s Unpacking libpciaccess0:amd64 (0.17-3build1) ... 503s Selecting previously unselected package libxnvctrl0:amd64. 503s Preparing to unpack .../51-libxnvctrl0_510.47.03-0ubuntu4_amd64.deb ... 503s Unpacking libxnvctrl0:amd64 (510.47.03-0ubuntu4) ... 503s Selecting previously unselected package ocl-icd-libopencl1:amd64. 503s Preparing to unpack .../52-ocl-icd-libopencl1_2.3.2-1build1_amd64.deb ... 503s Unpacking ocl-icd-libopencl1:amd64 (2.3.2-1build1) ... 503s Selecting previously unselected package libhwloc-plugins:amd64. 503s Preparing to unpack .../53-libhwloc-plugins_2.12.0-1_amd64.deb ... 503s Unpacking libhwloc-plugins:amd64 (2.12.0-1) ... 503s Selecting previously unselected package libpmix2t64:amd64. 503s Preparing to unpack .../54-libpmix2t64_5.0.6-5_amd64.deb ... 503s Unpacking libpmix2t64:amd64 (5.0.6-5) ... 503s Selecting previously unselected package libibumad3:amd64. 503s Preparing to unpack .../55-libibumad3_56.0-4ubuntu1_amd64.deb ... 503s Unpacking libibumad3:amd64 (56.0-4ubuntu1) ... 503s Selecting previously unselected package libibmad5:amd64. 503s Preparing to unpack .../56-libibmad5_56.0-4ubuntu1_amd64.deb ... 503s Unpacking libibmad5:amd64 (56.0-4ubuntu1) ... 503s Selecting previously unselected package libucx0:amd64. 503s Preparing to unpack .../57-libucx0_1.18.1+ds-2_amd64.deb ... 503s Unpacking libucx0:amd64 (1.18.1+ds-2) ... 503s Selecting previously unselected package libopenmpi40:amd64. 503s Preparing to unpack .../58-libopenmpi40_5.0.7-1_amd64.deb ... 503s Unpacking libopenmpi40:amd64 (5.0.7-1) ... 503s Selecting previously unselected package libgromacs10:amd64. 503s Preparing to unpack .../59-libgromacs10_2025.0-2_amd64.deb ... 503s Unpacking libgromacs10:amd64 (2025.0-2) ... 504s Selecting previously unselected package libnblib-gmx0:amd64. 504s Preparing to unpack .../60-libnblib-gmx0_2025.0-2_amd64.deb ... 504s Unpacking libnblib-gmx0:amd64 (2025.0-2) ... 504s Selecting previously unselected package libnblib-gmx-dev. 504s Preparing to unpack .../61-libnblib-gmx-dev_2025.0-2_amd64.deb ... 504s Unpacking libnblib-gmx-dev (2025.0-2) ... 504s Selecting previously unselected package libjs-mathjax. 504s Preparing to unpack .../62-libjs-mathjax_2.7.9+dfsg-1_all.deb ... 504s Unpacking libjs-mathjax (2.7.9+dfsg-1) ... 505s Selecting previously unselected package gromacs-data. 505s Preparing to unpack .../63-gromacs-data_2025.0-2_all.deb ... 505s Unpacking gromacs-data (2025.0-2) ... 508s Selecting previously unselected package gromacs. 508s Preparing to unpack .../64-gromacs_2025.0-2_amd64.deb ... 508s Unpacking gromacs (2025.0-2) ... 508s Selecting previously unselected package libgromacs-dev. 508s Preparing to unpack .../65-libgromacs-dev_2025.0-2_amd64.deb ... 508s Unpacking libgromacs-dev (2025.0-2) ... 508s Setting up libpciaccess0:amd64 (0.17-3build1) ... 508s Setting up fonts-mathjax (2.7.9+dfsg-1) ... 508s Setting up libjs-mathjax (2.7.9+dfsg-1) ... 508s Setting up libevent-pthreads-2.1-7t64:amd64 (2.1.12-stable-10) ... 508s Setting up libibumad3:amd64 (56.0-4ubuntu1) ... 508s Setting up libibmad5:amd64 (56.0-4ubuntu1) ... 508s Setting up libgomp1:amd64 (15-20250404-0ubuntu1) ... 508s Setting up libxnvctrl0:amd64 (510.47.03-0ubuntu4) ... 508s Setting up libblas3:amd64 (3.12.1-2) ... 508s update-alternatives: using /usr/lib/x86_64-linux-gnu/blas/libblas.so.3 to provide /usr/lib/x86_64-linux-gnu/libblas.so.3 (libblas.so.3-x86_64-linux-gnu) in auto mode 508s Setting up libmunge2:amd64 (0.5.16-1) ... 508s Setting up libllvm17t64:amd64 (1:17.0.6-21) ... 508s Setting up libquadmath0:amd64 (15-20250404-0ubuntu1) ... 508s Setting up libhwloc15:amd64 (2.12.0-1) ... 508s Setting up libmpc3:amd64 (1.3.1-1build2) ... 508s Setting up libfftw3-double3:amd64 (3.3.10-2fakesync1build1) ... 508s Setting up libgfortran5:amd64 (15-20250404-0ubuntu1) ... 508s Setting up libubsan1:amd64 (15-20250404-0ubuntu1) ... 508s Setting up ocl-icd-libopencl1:amd64 (2.3.2-1build1) ... 508s Setting up libhwasan0:amd64 (15-20250404-0ubuntu1) ... 508s Setting up libasan8:amd64 (15-20250404-0ubuntu1) ... 508s Setting up sse4.2-support (27) ... 508s Setting up libpsm2-2 (11.2.185-2.1) ... 508s Setting up librdmacm1t64:amd64 (56.0-4ubuntu1) ... 508s Setting up libamd-comgr2:amd64 (6.0+git20231212.4510c28+dfsg-3build2) ... 508s Setting up libpsm-infinipath1 (3.3+20.604758e7-6.3build1) ... 508s update-alternatives: using /usr/lib/libpsm1/libpsm_infinipath.so.1.16 to provide /usr/lib/x86_64-linux-gnu/libpsm_infinipath.so.1 (libpsm_infinipath.so.1) in auto mode 508s Setting up libmuparser2v5:amd64 (2.3.4-1) ... 508s Setting up libtsan2:amd64 (15-20250404-0ubuntu1) ... 508s Setting up libisl23:amd64 (0.27-1) ... 508s Setting up libcc1-0:amd64 (15-20250404-0ubuntu1) ... 508s Setting up liblsan0:amd64 (15-20250404-0ubuntu1) ... 508s Setting up libhsakmt1:amd64 (5.7.0-1build1) ... 508s Setting up libitm1:amd64 (15-20250404-0ubuntu1) ... 508s Setting up libfabric1:amd64 (1.17.0-3.1) ... 508s Setting up gromacs-data (2025.0-2) ... 508s Setting up liblapack3:amd64 (3.12.1-2) ... 508s update-alternatives: using /usr/lib/x86_64-linux-gnu/lapack/liblapack.so.3 to provide /usr/lib/x86_64-linux-gnu/liblapack.so.3 (liblapack.so.3-x86_64-linux-gnu) in auto mode 508s Setting up libfftw3-single3:amd64 (3.3.10-2fakesync1build1) ... 508s Setting up libfftw3-long3:amd64 (3.3.10-2fakesync1build1) ... 508s Setting up libhwloc-plugins:amd64 (2.12.0-1) ... 508s Setting up libfftw3-quad3:amd64 (3.3.10-2fakesync1build1) ... 508s Setting up cpp-14-x86-64-linux-gnu (14.2.0-19ubuntu2) ... 508s Setting up libpmix2t64:amd64 (5.0.6-5) ... 508s Setting up cpp-14 (14.2.0-19ubuntu2) ... 508s Setting up libhsa-runtime64-1 (5.7.1-2build1) ... 508s Setting up libgcc-14-dev:amd64 (14.2.0-19ubuntu2) ... 508s Setting up libstdc++-14-dev:amd64 (14.2.0-19ubuntu2) ... 508s Setting up cpp-x86-64-linux-gnu (4:14.2.0-1ubuntu1) ... 508s Setting up libfftw3-bin (3.3.10-2fakesync1build1) ... 508s Setting up libamdhip64-5 (5.7.1-5build1) ... 508s Setting up cpp (4:14.2.0-1ubuntu1) ... 508s Setting up gcc-14-x86-64-linux-gnu (14.2.0-19ubuntu2) ... 508s Setting up libfftw3-dev:amd64 (3.3.10-2fakesync1build1) ... 508s Setting up libucx0:amd64 (1.18.1+ds-2) ... 508s Setting up gcc-x86-64-linux-gnu (4:14.2.0-1ubuntu1) ... 508s Setting up gcc-14 (14.2.0-19ubuntu2) ... 508s Setting up g++-14-x86-64-linux-gnu (14.2.0-19ubuntu2) ... 508s Setting up g++-x86-64-linux-gnu (4:14.2.0-1ubuntu1) ... 508s Setting up g++-14 (14.2.0-19ubuntu2) ... 508s Setting up libopenmpi40:amd64 (5.0.7-1) ... 508s Setting up gcc (4:14.2.0-1ubuntu1) ... 508s Setting up g++ (4:14.2.0-1ubuntu1) ... 508s update-alternatives: using /usr/bin/g++ to provide /usr/bin/c++ (c++) in auto mode 508s Setting up libgromacs10:amd64 (2025.0-2) ... 508s Setting up libgromacs-dev (2025.0-2) ... 508s Setting up build-essential (12.12ubuntu1) ... 508s Setting up libnblib-gmx0:amd64 (2025.0-2) ... 508s Setting up libnblib-gmx-dev (2025.0-2) ... 508s Setting up gromacs (2025.0-2) ... 508s Processing triggers for man-db (2.13.0-1) ... 509s Processing triggers for libc-bin (2.41-6ubuntu1) ... 537s autopkgtest [23:01:36]: test gromacs-regressiontests-flaky: [----------------------- 537s Will only test subdirectories matching regular expression 'swap_[xyz]' 537s Testing swap_x . . . gmx grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/swap_x/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/swap_x/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/swap_x/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/swap_x/topol -maxwarn 10 -n /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/swap_x/index >grompp.out 2>grompp.err 538s gmx check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/swap_x/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 538s gmx mdrun -notunepme >mdrun.out 2>&1 538s gmx check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/swap_x/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 538s gmx check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/swap_x/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 538s PASSED but check mdp file differences 538s Testing swap_y . . . gmx grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/swap_y/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/swap_y/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/swap_y/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/swap_y/topol -maxwarn 10 -n /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/swap_y/index >grompp.out 2>grompp.err 539s gmx check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/swap_y/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 539s gmx mdrun -notunepme >mdrun.out 2>&1 540s gmx check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/swap_y/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 540s gmx check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/swap_y/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 540s PASSED but check mdp file differences 540s Testing swap_z . . . gmx grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/swap_z/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/swap_z/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/swap_z/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/swap_z/topol -maxwarn 10 -n /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/swap_z/index >grompp.out 2>grompp.err 540s gmx check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/swap_z/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 540s gmx mdrun -notunepme >mdrun.out 2>&1 541s gmx check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/swap_z/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 541s gmx check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/swap_z/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 541s PASSED but check mdp file differences 541s All 3 complex tests PASSED 541s Will only test subdirectories matching regular expression 'swap_[xyz]' 541s Testing swap_x . . . gmx_d grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/swap_x/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/swap_x/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/swap_x/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/swap_x/topol -maxwarn 10 -n /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/swap_x/index >grompp.out 2>grompp.err 542s gmx_d check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/swap_x/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 542s gmx_d mdrun -notunepme >mdrun.out 2>&1 543s gmx_d check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/swap_x/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 543s gmx_d check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/swap_x/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 543s PASSED but check mdp file differences 543s Testing swap_y . . . gmx_d grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/swap_y/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/swap_y/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/swap_y/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/swap_y/topol -maxwarn 10 -n /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/swap_y/index >grompp.out 2>grompp.err 543s gmx_d check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/swap_y/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 543s gmx_d mdrun -notunepme >mdrun.out 2>&1 544s gmx_d check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/swap_y/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 544s gmx_d check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/swap_y/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 544s PASSED but check mdp file differences 544s Testing swap_z . . . gmx_d grompp -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/swap_z/grompp.mdp -c /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/swap_z/conf -r /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/swap_z/conf -p /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/swap_z/topol -maxwarn 10 -n /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/swap_z/index >grompp.out 2>grompp.err 544s gmx_d check -s1 /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/swap_z/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 544s gmx_d mdrun -notunepme >mdrun.out 2>&1 545s gmx_d check -e /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/swap_z/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 545s gmx_d check -f /tmp/autopkgtest.4sppbz/build.AAw/src/regressiontests/complex/swap_z/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 545s PASSED but check mdp file differences 545s All 3 complex tests PASSED 545s Cleaning acetonitrilRF 545s Cleaning aminoacids 545s Cleaning argon 545s Cleaning awh_multibias 545s Cleaning awh_multidim 545s Cleaning butane 545s Cleaning cbt 545s Cleaning dd121 545s Cleaning dec+water 545s Cleaning distance_restraints 545s Cleaning ethyleenglycol 545s Cleaning field 545s Cleaning nacl 545s Cleaning nbnxn-energy-groups 545s Cleaning nbnxn-free-energy 545s Cleaning nbnxn-free-energy-vv 545s Cleaning nbnxn-ljpme-geometric 545s Cleaning nbnxn-ljpme-LB 545s Cleaning nbnxn-ljpme-LB-geometric 545s Cleaning nbnxn-vdw-force-switch 545s Cleaning nbnxn-vdw-potential-switch 545s Cleaning nbnxn-vdw-potential-switch-argon 545s Cleaning nbnxn_pme 545s Cleaning nbnxn_pme_order5 545s Cleaning nbnxn_pme_order6 545s Cleaning nbnxn_rf 545s Cleaning nbnxn_rzero 545s Cleaning nbnxn_vsite 545s Cleaning nst_mismatch 545s Cleaning octahedron 545s Cleaning orientation-restraints 545s Cleaning position-restraints 545s Cleaning pr-vrescale 545s Cleaning pull_constraint 545s Cleaning pull_cylinder 545s Cleaning pull_geometry_angle 545s Cleaning pull_geometry_angle-axis 545s Cleaning pull_geometry_dihedral 545s Cleaning reb 545s Cleaning sw 545s Cleaning swap_x 545s Cleaning swap_y 545s Cleaning swap_z 545s Cleaning tip4p 545s Cleaning tip4p_continue 545s Cleaning tip4pflex 545s Cleaning urea 545s Cleaning walls 545s Cleaning flooding1 545s Cleaning flooding2 545s Cleaning linacc 545s Cleaning linfix 545s Cleaning radacc 545s Cleaning radcon 545s Cleaning radfix 546s autopkgtest [23:01:45]: test gromacs-regressiontests-flaky: -----------------------] 546s autopkgtest [23:01:45]: test gromacs-regressiontests-flaky: - - - - - - - - - - results - - - - - - - - - - 546s gromacs-regressiontests-flaky PASS 547s autopkgtest [23:01:46]: @@@@@@@@@@@@@@@@@@@@ summary 547s gromacs-regressiontests PASS 547s gromacs-regressiontests-flaky PASS 564s nova [W] Skipping flock for amd64 564s Creating nova instance adt-questing-amd64-gromacs-20250501-225239-juju-7f2275-prod-proposed-migration-environment-23-4c6b5f87-ea3e-41e9-8e75-b40e6b73ce85 from image adt/ubuntu-questing-amd64-server-20250501.img (UUID bec07729-3452-4c88-a7fb-a3dc20cf6f11)... 564s nova [W] Timed out waiting for fa5c7674-f3f4-4a21-9b1b-0387f24cb758 to get deleted. 564s nova [W] Skipping flock for amd64 564s Creating nova instance adt-questing-amd64-gromacs-20250501-225239-juju-7f2275-prod-proposed-migration-environment-23-4c6b5f87-ea3e-41e9-8e75-b40e6b73ce85 from image adt/ubuntu-questing-amd64-server-20250501.img (UUID bec07729-3452-4c88-a7fb-a3dc20cf6f11)... 564s nova [W] Timed out waiting for 0d2baf86-3f93-4533-a79d-5cf5c77b49fe to get deleted.