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# Project Tracker Status Priority Subject Assignee Updated Target version
3274 GROMACS Bug New Normal Remove ARM NEON SIMD 12/28/2019 07:53 AM GROMACS - 2021-infrastructure-stable
3112 GROMACS Bug Closed Normal CG minimization with DD broken by recent refactoring Berk Hess 10/02/2019 11:38 AM GROMACS - 2020-beta2
3111 GROMACS Bug Closed Low sample_restraint testing should not download files Eric Irrgang 10/31/2019 03:35 PM GROMACS - 2020-beta2
3097 GROMACS Bug Closed Normal nbnxm grid issue with regressiontest complex/nbnxn_rzero with gpubufferops path 12/02/2019 01:12 PM GROMACS - 2020-beta3
3091 GROMACS Bug Closed Normal simulator comparison test failing in gpucomm matrix Mark Abraham 09/18/2019 01:41 PM GROMACS - 2020-beta1
3090 GROMACS Bug Closed Normal virtual site reference manual docs need care with subscripts Paul Bauer 09/17/2019 11:02 AM GROMACS - 2020-beta2
3084 GROMACS Bug Closed Normal gmx report-methods test unstable Paul Bauer 10/14/2019 01:31 PM GROMACS - 2020-beta2
2981 GROMACS Bug New Normal segfault in opencl build 06/18/2019 03:30 AM
2921 GROMACS Bug Closed Normal hwloc test makes invalid assumptions Mark Abraham 04/15/2019 08:16 AM GROMACS - 2019.2
2917 GROMACS Bug Closed Low do_steep segfaults with non-interacting system Mark Abraham 05/03/2019 11:18 AM GROMACS - 2019.3
2897 GROMACS Bug New Normal rotation/flex2 can still fail on cpu-only run on OpenCL build 04/04/2019 06:24 PM
2873 GROMACS Bug New Normal Simple way to get last frame from trajectory 02/28/2019 11:14 PM
2832 GROMACS Bug New Low PaddedVector move operations broken Mark Abraham 12/28/2019 10:40 AM GROMACS - 2021
2783 GROMACS Bug Closed Normal PDF reference manual suggestions Paul Bauer 12/10/2018 04:15 AM GROMACS - 2019-rc1
2782 GROMACS Bug Closed Normal dd flowchart image loses resolution in HTML sphinx output Paul Bauer 11/30/2018 02:39 PM GROMACS - 2019-rc1
2775 GROMACS Bug Closed Normal number of ranks reporting was wrong 12/10/2018 03:05 AM GROMACS - 2019
2767 GROMACS Bug Closed Normal grompp warns about md + FEP even for fully coupled states Berk Hess 12/20/2019 08:17 AM GROMACS - 2020-rc1
2728 GROMACS Bug Closed Normal Fix NB kernel picking 02/28/2020 09:13 AM GROMACS - 2020.1
2726 GROMACS Bug Closed Normal FP exception in cufft 7.0 12/13/2018 11:41 AM GROMACS - 2019
2722 GROMACS Bug Closed Normal gmxapi may over-manage RPATH Mark Abraham 12/20/2019 08:22 AM GROMACS - 2020-rc1
2704 GROMACS Bug Closed Normal investigate change to log file Mark Abraham 10/21/2018 11:07 AM GROMACS - 2019
2692 GROMACS Bug Closed Normal docs should not have unused files Paul Bauer 10/29/2018 11:01 AM GROMACS - 2019
2689 GROMACS Bug Rejected Normal gpu timer state not cleaned up 02/08/2019 06:51 AM GROMACS - 2019.1
2664 GROMACS Bug Closed Low gmxapi tests using gmx to make a .tpr needs to be quieter Paul Bauer 11/23/2018 02:17 PM GROMACS - 2019
2648 GROMACS Bug Closed Normal icc 18 post-submit fails to compile not_null tests 11/28/2018 03:39 PM GROMACS - 2019
2646 GROMACS Bug Closed Normal gmxapi uses major() and minor() which clashes with deprecated glibc macros Eric Irrgang 09/19/2018 03:03 PM GROMACS - 2019
2636 GROMACS Bug Closed Low DD code writes to terminals too much Mark Abraham 10/03/2018 11:33 PM GROMACS - 2019
2635 GROMACS Bug Closed Normal Failing to detect GPUs should not write to terminals Mark Abraham 12/21/2018 09:20 AM GROMACS - 2019
2624 GROMACS Bug New Normal GPU build system not robust enough 09/05/2018 02:00 AM
2578 GROMACS Bug Closed Normal with PME on GPU, EM setup does not propagate state->x pinning settings Mark Abraham 08/23/2018 10:47 AM GROMACS - 2018.3
2571 GROMACS Bug Closed Normal clang-tidy cmake needs improvement Roland Schulz 07/13/2018 07:20 AM GROMACS - 2019
2558 GROMACS Bug Rejected Normal gmx polystat mis-uses nmol Mark Abraham 06/21/2018 03:13 PM GROMACS - 2018.3
2508 GROMACS Bug Closed Low gmx enemat segment faults Mark Abraham 06/05/2018 04:26 PM GROMACS - 2018.2
2434 GROMACS Bug Closed Normal wrong values accumulated to dvdlambda in SHAKE with FE calcs Mark Abraham 03/06/2018 04:31 PM GROMACS - 2018.1
2405 GROMACS Bug Closed Normal improve gpu_utils-test Mark Abraham 03/02/2018 03:52 PM GROMACS - 2018.1
2394 GROMACS Bug Closed Low energy average printing segfaults when no data sets are recorded Mark Abraham 02/06/2018 04:34 PM GROMACS - 2018.1
2392 GROMACS Bug Closed Normal mdp field 'define' does not correctly handle inputs that used to work Mark Abraham 03/02/2018 03:52 PM GROMACS - 2018.1
2390 GROMACS Bug Feedback wanted Normal GROMACS build system should check for valid nvcc flags before use 12/20/2019 12:13 PM GROMACS - 2021
2373 GROMACS Bug New Low gmx -nice can't work 01/04/2018 11:17 AM
2370 GROMACS Bug Closed Normal pdb2gmx does not report why chains of residues are teminated 02/28/2018 11:27 PM
2346 GROMACS Bug Closed Normal inconsistent behavior of mdrun -nt 1 with mdrun -nt 3 when both are undersubscribed Mark Abraham 12/19/2017 02:29 AM GROMACS - 2018-beta3
2345 GROMACS Bug Closed Normal Avoid duplicate over-subscription note+warning Mark Abraham 12/19/2017 02:37 AM GROMACS - 2018-beta3
2340 GROMACS Bug Closed Normal avx512fma test code warning with icpc 12/11/2017 01:23 PM GROMACS - 2018
2332 GROMACS Bug Closed Normal verlet + pme-user should give grompp and mdrun fatal error Mark Abraham 12/12/2017 11:50 AM GROMACS - 2016.5
2326 GROMACS Bug Closed Normal double precision avx(2)_128_fma and sse4.1 broken 12/14/2017 01:18 AM GROMACS - 2018-beta2
2325 GROMACS Bug Closed Normal avx512 double precision simd failure 12/14/2017 10:17 AM GROMACS - 2018
2323 GROMACS Bug Closed Normal avx512 implementation of operator << requires immediate with gcc 6.4 12/11/2017 11:54 AM
2273 GROMACS Bug Closed Normal CUDA CC 2.0 issue 11/28/2017 05:59 PM GROMACS - 2018
2241 GROMACS Bug New Low refdata can segfault when reading 09/07/2017 11:57 AM
2225 GROMACS Bug Closed Low gmx trjcat -o pdb doesn't work 12/12/2017 10:37 PM
2223 GROMACS Bug Closed Normal Orientation restraints broken with OpenMP David van der Spoel 08/15/2017 04:55 PM GROMACS - 2016.4
2217 GROMACS Bug New Low GPU emulation and separate PME ranks doesn't work properly 12/12/2017 11:50 AM
2204 GROMACS Bug Closed Low mismanagement of npme variable Mark Abraham 12/21/2017 03:20 PM GROMACS - 2018-rc1
2199 GROMACS Bug Closed Normal continuations can report double the initial temperature Berk Hess 06/27/2017 07:22 PM GROMACS - 2016.4
2192 GROMACS Bug Accepted Low grompp should read floats (e.g charge) from data files to double, to avoid accumulating round-off error Berk Hess 12/20/2019 12:11 PM GROMACS - 2021
2174 GROMACS Bug Closed Normal LJPME should not accept VDW modifiers it does not support Berk Hess 05/31/2017 08:39 PM GROMACS - 2016.4
2173 GROMACS Bug Closed Low checkpoint restart with missing restart file is too verbose Mark Abraham 12/11/2017 09:19 PM GROMACS - 2016.5
2172 GROMACS Bug Closed Normal EM run does give valid reason for not printing performance report Mark Abraham 12/17/2017 07:12 AM GROMACS - 2016.5
2164 GROMACS Bug Closed Normal SIMD sqrt in double-precision build does not work correctly 10/25/2017 04:57 PM GROMACS - 2018
2112 GROMACS Bug Closed Normal Rerun tests with MSVC may expose existing bug 04/05/2018 11:04 AM
2105 GROMACS Bug Closed Normal multi-domain rerun broken Mark Abraham 02/06/2017 04:10 PM GROMACS - 2016.2
2098 GROMACS Bug Closed Low NVML linking fails Mark Abraham 03/15/2017 05:56 PM GROMACS - 2018
2093 GROMACS Bug Closed Normal possible unstable listedforces-test BondedTest.IfuncBondsPbcNo 12/12/2017 10:56 PM
2050 GROMACS Bug Closed Normal amber03 HIP charges are wrong Mark Abraham 09/07/2016 03:06 PM GROMACS - 5.1.4
2049 GROMACS Bug Closed Normal remove duplicate amino-acid definitions Mark Abraham 11/17/2016 03:35 PM GROMACS - 5.1.4
2039 GROMACS Bug New Normal mdrun -pinstride defaults are too confusing 12/13/2017 04:14 AM
2021 GROMACS Bug Rejected Normal mdrun -multidir should not have default 12/12/2017 03:27 PM
2016 GROMACS Bug Rejected Normal DD setup may sometimes use wrong periodic images 08/08/2016 03:09 PM
2006 GROMACS Bug Closed Normal issues with not using 64-bit step numbers everywhere 07/30/2016 08:38 PM
2004 GROMACS Bug Closed Low parallelism selection code needs work 03/17/2018 12:32 AM
2000 GROMACS Bug Closed Low cmake 3.5.1 + ninja not quite happy with dev-guide build system Teemu Murtola 07/08/2016 03:21 PM GROMACS - 2016
1998 GROMACS Bug Closed Normal membed is apparently broken 07/11/2016 09:12 PM GROMACS - 2016
1997 GROMACS Bug Closed Low big-endian power7 testbits is broken 07/05/2016 01:46 AM GROMACS - 2016
1993 GROMACS Bug Closed Normal calc_verlet_buffer_size can't handle nstlist==1 Berk Hess 06/27/2016 07:28 PM GROMACS - 2016
1989 GROMACS Bug Closed Low simple distance restraints should work with REMD and multiple ranks per simulation Mark Abraham 08/10/2016 12:31 PM GROMACS - 5.1.3
1985 GROMACS Bug Fix uploaded Low CUDA build system refactoring awaiting review 12/20/2019 12:07 PM GROMACS - 2021
1913 GROMACS Bug Closed Normal tabulated bonded interaction files cannot be read Mark Abraham 06/08/2016 10:26 AM GROMACS - 5.1.3
1897 GROMACS Bug Rejected Normal Memory leak in mdrun 03/15/2016 03:09 PM
1893 GROMACS Bug Closed Normal grompp fails to warn about .mdp values with the wrong type Mark Abraham 02/02/2017 10:35 PM GROMACS - 5.1.2
1883 GROMACS Bug Closed Normal many velocity-verlet combinations do not produce exact restarts 05/08/2016 11:55 AM
1882 GROMACS Bug Closed Normal issue with DD missing impossible exclusions Mark Abraham 02/03/2016 01:52 PM GROMACS - 2016
1872 GROMACS Bug Closed Normal md-vv with NPT and more than one temperature-coupling group was broken Mark Abraham 01/12/2016 04:24 PM GROMACS - 5.0.8
1858 GROMACS Bug Closed Normal compute globals should not have logic about which integrator is in use 01/12/2016 04:23 PM GROMACS - 5.1.2
1823 GROMACS Bug Closed Low checks for mdrun rerun with energy groups and possible GPUs not working correctly Mark Abraham 11/23/2015 05:47 PM GROMACS - 5.1.1
1822 GROMACS Bug Closed Low mdrun writes broken energy group values to .edr file Erik Lindahl 01/03/2018 03:47 PM GROMACS - 2018
1795 GROMACS Bug Closed Normal limit test binaries to only one MPI rank where necessary/appropriate Teemu Murtola 05/03/2016 07:37 PM GROMACS - 2016
1777 GROMACS Bug Closed Low Teach mdrun about explicit -append 07/11/2016 05:09 PM GROMACS - 2016
1767 GROMACS Bug Closed Normal Coulomb energy sometimes wrong in complex/nbnxn_vsite Berk Hess 10/14/2015 06:02 PM GROMACS - 4.6.8
1749 GROMACS Bug Closed Normal pairs_nb is unknown directive in grompp 06/16/2015 10:30 PM GROMACS - 5.0.6
1740 GROMACS Bug Closed Normal invalid use of gmx_simd_check_and_reset_overflow Mark Abraham 06/04/2015 02:00 PM GROMACS - 5.0.6
1730 GROMACS Bug New Normal gmx compare does not compare all fields of a .tpr 06/12/2015 09:33 PM GROMACS - future
1724 GROMACS Bug Closed Low membed docs missing 06/16/2015 11:41 PM GROMACS - 5.1
1706 GROMACS Bug Closed Low NVML message reports wrong version Szilárd Páll 06/16/2015 11:40 PM GROMACS - 5.1
1703 GROMACS Bug Closed Normal be less vocal about affinity where it is not relevant 06/16/2015 12:55 PM GROMACS - 5.1
1701 GROMACS Bug Closed Low arrayref doesn't always work on BlueGene/Q xlc Mark Abraham 06/16/2015 12:55 PM GROMACS - 5.1
1700 GROMACS Bug Closed Normal tarball man pages are too deep in the file hierarchy 04/09/2015 11:19 AM GROMACS - 5.1
1697 GROMACS Bug Closed Normal rare replica-exchange problem Michael Shirts 05/06/2015 04:52 PM GROMACS - 5.0.5
1695 GROMACS Bug Closed Normal Andersen thermostats wrong in 5.0 Mark Abraham 04/09/2015 10:57 AM GROMACS - 5.0.5
1683 GROMACS Bug Closed Normal mdrun-only build does not link correctly Mark Abraham 03/05/2015 10:25 AM GROMACS - 5.1
1681 GROMACS Bug Closed Normal use of incorrect initial value of variable Mark Abraham 04/09/2015 11:07 AM GROMACS - 5.1
1677 GROMACS Bug Closed Low floating-point exceptions found Erik Lindahl 06/16/2015 10:28 PM GROMACS - 5.1
1673 GROMACS Bug Closed Normal mis-use of simd.h after refactoring Mark Abraham 11/16/2015 06:11 PM GROMACS - 5.1.1
1659 GROMACS Bug Closed Low DD error message writes ncells pointer value, not value pointed to 01/12/2015 06:34 PM GROMACS - 5.0.5
1647 GROMACS Bug Closed High race condition with lincs + openmp + free-energy Mark Abraham 12/09/2014 04:18 PM GROMACS - 5.0.3
1633 GROMACS Bug Closed Low mdrun -nsteps -1 reports silly numbers Szilárd Páll 12/15/2014 09:45 PM GROMACS - 5.0.4
1617 GROMACS Bug Closed Normal uncrustify indenting strangely 07/11/2016 09:08 PM
1616 GROMACS Bug Closed Normal configuration should check that the compiler will work with nvcc Mark Abraham 01/10/2019 10:18 AM GROMACS - 2018
1615 GROMACS Bug Closed Normal possible bug in shell code 07/11/2016 07:44 PM GROMACS - 5.1
1614 GROMACS Bug Rejected Low thread-MPI has broken support for operations on MPI_INT 05/21/2016 04:54 PM
1593 GROMACS Bug Closed Low step-size scaling in lbfgs doesn't work as intended 06/22/2015 12:42 PM
1554 GROMACS Bug Closed Low build of template.cpp is broken Teemu Murtola 10/01/2014 06:48 PM GROMACS - 5.1
1550 GROMACS Bug Closed Low GMX_MAX_MPI_THREADS has no implementation 06/22/2015 12:43 PM
1535 GROMACS Bug Closed Low osx C++ symbol visibility warnings 08/18/2014 02:42 AM
1531 GROMACS Bug Closed Low gmx bar fatal errors write garbage values 06/16/2015 11:46 PM
1520 GROMACS Bug Closed Normal tng include/library/linking problems Mark Abraham 06/29/2014 10:03 AM GROMACS - 5.0
1487 GROMACS Bug Closed Normal do_cpt_enerhist sets variables that are not used Berk Hess 07/11/2016 07:48 PM
1459 GROMACS Bug Closed Normal clean up naming in pme code Mark Abraham 07/15/2014 06:49 AM GROMACS - 5.0
1438 GROMACS Bug Closed Normal gmx mdrun -h broken Teemu Murtola 02/24/2014 10:59 AM GROMACS - 5.0
1431 GROMACS Bug Closed Normal rotation/flex-t regressiontest failing on BG/Q Carsten Kutzner 01/10/2019 03:50 PM GROMACS - 4.6.x
1429 GROMACS Bug Closed Normal shell code issues (broken with DD+grid; broken with Verlet scheme) Berk Hess 06/20/2014 07:35 AM GROMACS - 4.6.6
1423 GROMACS Bug Closed Normal Using xtc-grps with a subset leaks memory Mark Abraham 02/06/2014 10:38 PM GROMACS - 5.0
1378 GROMACS Bug Closed Normal Problem with interactions longer than pair-list range with NBNxN kernels Berk Hess 12/03/2013 04:11 PM GROMACS - 4.6.4
1359 GROMACS Bug Closed Normal race condition(s) in hardware detection(?) Mark Abraham 12/03/2013 04:14 PM GROMACS - 4.6.4
1327 GROMACS Bug Closed Normal CMake bugs with set(var value PARENT_SCOPE) Mark Abraham 10/16/2013 03:28 PM GROMACS - 4.6.4
1325 GROMACS Bug Closed Normal "Core t" time is wrong with separate PME nodes Mark Abraham 10/16/2013 03:33 PM GROMACS - 4.6.4
1319 GROMACS Bug Closed Normal g_tune_pme assumes an MPI environment is available Mark Abraham 10/16/2013 01:49 PM GROMACS - 4.6.4
1297 GROMACS Bug Closed Normal infinite relative permittivity is incompletely implemented Mark Abraham 06/22/2015 12:43 PM
1291 GROMACS Bug Closed Low GPU/CPU force evaluation time ratio seems wrong Szilárd Páll 07/11/2016 08:38 PM GROMACS - 2016
1289 GROMACS Bug Closed Low EEL_USER is true when eelPMESWITCH is true Mark Abraham 10/16/2013 03:36 PM GROMACS - 4.6.4
1271 GROMACS Bug Closed Normal GMXRC install is broken in master Teemu Murtola 01/24/2014 07:16 PM GROMACS - 5.0
1259 GROMACS Bug Closed Normal gcc-4.6.1 is buggy for AVX_256 Mark Abraham 05/13/2014 09:03 PM GROMACS - 4.6.x
1248 GROMACS Bug Closed Low nvcc host compiler sanity checks break with cmake >=2.8.10 Szilárd Páll 05/08/2016 12:50 PM GROMACS - 2016
1241 GROMACS Bug Closed Normal gmx_system_xdr.[ch] files cite Sun's license, but COPYING does not Mark Abraham 12/16/2013 05:41 PM GROMACS - 5.0
1235 GROMACS Bug New Normal peptide dihedral angle definitions violate IUPAC David van der Spoel 06/19/2015 12:24 AM GROMACS - future
1228 GROMACS Bug Closed Normal various install guide (etc.) improvements noted on gmx-users Mark Abraham 10/01/2014 06:55 PM
1226 GROMACS Bug Closed Low make install installs .cvsignore files Mark Abraham 02/10/2014 09:40 PM GROMACS - 4.5.8
1223 GROMACS Bug Closed Normal assert in 4.6 Mark Abraham 07/23/2016 03:32 PM
1208 GROMACS Bug Closed Low genion should treat a combination of -nn (or -np) with -conc better 07/05/2013 06:35 PM GROMACS - 4.6.3
1190 GROMACS Bug New Normal Use of FORCE in setting cached variables Mark Abraham 06/17/2014 06:09 AM
1189 GROMACS Bug Closed Normal g_mindist and PBC Rossen Apostolov 06/20/2014 04:27 PM GROMACS - 4.6.6
1186 GROMACS Bug Closed Normal install guide should mention how to configure blas and lapack Mark Abraham 05/31/2013 10:44 AM GROMACS - 4.6.2
1164 GROMACS Bug Closed Normal rlistlong seems not to work correctly for grompp warning Berk Hess 12/16/2013 05:39 PM GROMACS - 4.6.3
1159 GROMACS Bug Closed Normal Shell completions are partly broken Teemu Murtola 02/08/2014 06:52 AM GROMACS - 5.0
1149 GROMACS Bug Closed Normal changes to dihedral restraints need corresponding changes to the manual Rossen Apostolov 06/20/2014 10:39 AM
1135 GROMACS Bug Closed Normal various detection and -multi don't work well enough together Mark Abraham 07/05/2016 12:40 AM GROMACS - 2016
1124 GROMACS Bug Rejected Normal g_tool -hidden is broken - prints some binary rubbish Mark Abraham 02/08/2013 01:08 PM GROMACS - 4.5.7
1119 GROMACS Bug Closed Normal g_tune_pme needs work for GPUs and/or OpenMP Mark Abraham 07/11/2016 07:59 PM
1117 GROMACS Bug Closed Low ensemble-averaged distance restraints is probably broken 12/11/2017 12:19 PM GROMACS - future
1094 GROMACS Bug Closed Normal remove g_dih Mark Abraham 01/07/2013 09:55 PM GROMACS - 4.6
1075 GROMACS Bug Closed Normal mdrun doesn't build on non-x86 Mark Abraham 12/28/2012 08:48 PM GROMACS - 4.6
1066 GROMACS Bug Rejected Normal FMA and icc Mark Abraham 01/10/2013 02:52 AM GROMACS - 4.6
1057 GROMACS Bug Closed Normal Remove acml vestiges Mark Abraham 02/15/2014 07:10 PM GROMACS - 5.0
1049 GROMACS Bug Closed High pick_nbnxn_kernel needs reworking Berk Hess 01/18/2013 11:00 AM GROMACS - 4.6
1024 GROMACS Bug Closed Normal REMD and Verlet lists Berk Hess 01/14/2013 08:54 AM GROMACS - 4.6
1019 GROMACS Bug Closed Normal Timing stats broken Berk Hess 01/14/2013 08:56 AM GROMACS - 4.6
1018 GROMACS Bug Closed Normal cmake and gpu acceleration Szilárd Páll 01/01/2013 12:35 PM GROMACS - 4.6
1001 GROMACS Bug Closed Normal REMD statistics not collected properly any more Michael Shirts 12/28/2012 08:34 PM GROMACS - 4.6
1000 GROMACS Bug Closed Normal Possible bug with v-rescale thermostat and md-vv Michael Shirts 12/16/2013 05:38 PM GROMACS - 4.5.7
954 GROMACS Bug Closed Low calc_fluctuation_props output David van der Spoel 10/21/2012 12:40 PM GROMACS - 4.5.6
886 GROMACS Bug Closed Normal pdb2gmx -cmap needs some mention in manual section 5.6 Rossen Apostolov 06/18/2014 02:11 PM GROMACS - 4.6.x
884 GROMACS Bug Closed High Don't allow mixed-precision appending Berk Hess 04/16/2012 03:35 PM GROMACS - 4.6
862 GROMACS Bug Closed Normal g_hbond -r2 needs more documentation David van der Spoel 05/23/2014 02:02 PM
834 GROMACS Bug Closed Normal g_bond and PBC Mark Abraham 06/13/2014 02:34 PM
833 GROMACS Bug Closed Normal NUMA should probably not be used under Cygwin Mark Abraham 04/16/2012 01:48 PM GROMACS - 4.5.6
820 GROMACS Bug Closed Normal dihedral restraints need more documentation Erik Lindahl 06/20/2014 10:39 AM GROMACS - 5.0
816 GROMACS Bug Closed Low clarification of documentation of suface-tension coupling Rossen Apostolov 06/20/2014 08:29 AM GROMACS - 5.0
813 GROMACS Bug Closed Normal pairs_nb needs documentation 05/23/2014 02:02 PM GROMACS - 5.0
812 GROMACS Bug Closed Normal g_sham needs more documentation David van der Spoel 07/15/2014 06:43 AM GROMACS - 5.0
807 GROMACS Bug Closed Normal Use of [cmap] Erik Lindahl 05/23/2014 02:02 PM
781 GROMACS Bug Closed Low Reading .g96 trajectories is broken Sander Pronk 09/06/2012 07:06 PM GROMACS - 4.5.6
776 GROMACS Bug Closed Low Typo in description of BD parameters Berk Hess 05/23/2014 02:02 PM
775 GROMACS Bug Closed Low Possible comment wrong in do_update_bd() Berk Hess 04/26/2012 09:37 PM GROMACS - 4.5.6
764 GROMACS Bug Closed Normal md = steep calculates and reports pressure and virial Berk Hess 06/22/2011 11:12 AM GROMACS - 4.5.5
755 GROMACS Bug Closed Normal pdb2gmx -debug 1 writes *_new.hdb and new*.tdb files 01/09/2014 01:58 PM
752 GROMACS Bug Closed Normal With PD, non-master processes allocate state twice Berk Hess 05/17/2011 12:06 PM GROMACS - 4.5.5
729 GROMACS Bug Closed Normal With GMX_THREADS on, cmake blindly sets GMX_MPI=1 Sander Pronk 06/08/2011 01:52 PM GROMACS - git master
723 GROMACS Bug Closed Normal Need 4.5.4 manual release Rossen Apostolov 05/23/2014 02:02 PM
695 GROMACS Bug Closed Low replica exchange can occur when energies are not current Mark Abraham 12/29/2012 03:59 PM GROMACS - 4.5.6
690 GROMACS Bug Closed Low options program needs to be built by default Mark Abraham 12/29/2012 02:06 PM GROMACS - 4.5.6
684 GROMACS Bug Closed Low Nonsense sentence 05/23/2014 02:02 PM
678 GROMACS Bug Closed Normal regularize status of g_kinetics 06/08/2011 04:45 PM
674 GROMACS Bug Closed Normal Use of specbond.dat is not documented Justin Lemkul 05/23/2014 02:02 PM
647 Support Platforms Bug Closed Normal redmine repository hasn't picked up commits to release-4-5-patches for a few days 01/12/2011 03:45 PM
2761 GROMACS Feature New Low lincs-order 4 is too conservative for some force fields 11/16/2018 09:55 AM
2691 GROMACS Feature Closed Normal MiMiC needs reference documentation 12/03/2018 12:06 PM GROMACS - 2019
2651 GROMACS Feature Closed Normal clean up mdrun log file handling Mark Abraham 10/11/2018 10:15 PM GROMACS - 2019
2643 GROMACS Feature New Low mdp options and/or docs for anisotropic aspects of implementations 09/12/2018 02:23 PM
2556 GROMACS Feature New Normal make default selections suitable for DNA and RNA Mark Abraham 06/20/2018 01:48 PM
2354 GROMACS Feature New Normal develop configuration file support for control of task layout 09/19/2018 03:01 PM GROMACS - future
2339 GROMACS Feature Closed Low sum of two largest charge group is enormous and bigger than rlist 12/15/2017 11:40 AM GROMACS - 2018-beta3
2269 GROMACS Feature Rejected Low support some latest-1 versions in Jenkins testing 01/07/2019 01:48 AM
2220 GROMACS Feature New Normal report relevant env var behaviour to console 07/31/2017 09:40 PM
2180 Support Platforms Feature Fix uploaded Low releng matrices would work better with a hint for execution 05/19/2017 01:02 AM
2101 GROMACS Feature New Low warninp could print the offending line, as well as its number 01/20/2017 03:06 PM
2090 GROMACS Feature New Normal redirecting stdout or stderr for testing Mark Abraham 12/15/2016 03:15 AM
2080 GROMACS Feature New Normal add grompp warning for suitableness for domain decomposition 11/23/2016 03:03 PM
2072 GROMACS Feature Closed Low target hardware description is silent about the result Mark Abraham 10/03/2018 09:38 PM GROMACS - 2019
2066 Support Platforms Feature Closed Normal possible release workflow enhancements 05/31/2017 07:48 PM
2002 GROMACS Feature Closed Normal extend cmake/gmxDetectTargetArchitecture.cmake for ARM and POWER 01/07/2019 01:52 AM
1975 GROMACS Feature Closed Normal grompp should warn if .mdp define does nothing Kevin Boyd 06/02/2019 09:07 PM GROMACS - 2020
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