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# Project Tracker Status Priority Subject Assignee Updated Target version
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
2080 GROMACS Feature New Normal add grompp warning for suitableness for domain decomposition 11/23/2016 03:03 PM
3065 GROMACS Task Closed Normal Agree and implement version support for GROMACS 2021 08/24/2019 05:25 PM
2050 GROMACS Bug Closed Normal amber03 HIP charges are wrong Mark Abraham 09/07/2016 03:06 PM GROMACS - 5.1.4
1695 GROMACS Bug Closed Normal Andersen thermostats wrong in 5.0 Mark Abraham 04/09/2015 10:57 AM GROMACS - 5.0.5
2569 GROMACS Task Closed Normal announce deprecations in GROMACS 2019 Mark Abraham 12/17/2018 01:45 PM GROMACS - 2019
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
1223 GROMACS Bug Closed Normal assert in 4.6 Mark Abraham 07/23/2016 03:32 PM
2134 GROMACS Task Closed Normal assess whether Jenkins is testing multi-rank runs appropriately 01/04/2018 02:24 PM GROMACS - 2018
2345 GROMACS Bug Closed Normal Avoid duplicate over-subscription note+warning Mark Abraham 12/19/2017 02:37 AM GROMACS - 2018-beta3
2478 GROMACS Task New Low avoid use of getenv in static initialization 04/13/2018 11:57 AM
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
2340 GROMACS Bug Closed Normal avx512fma test code warning with icpc 12/11/2017 01:23 PM GROMACS - 2018
1703 GROMACS Bug Closed Normal be less vocal about affinity where it is not relevant 06/16/2015 12:55 PM GROMACS - 5.1
1997 GROMACS Bug Closed Low big-endian power7 testbits is broken 07/05/2016 01:46 AM GROMACS - 2016
1123 GROMACS Feature Rejected Normal binary incompatibility 01/07/2019 02:05 AM
736 GROMACS Feature Closed Normal BlueGene kernel upgrade Mark Abraham 04/19/2013 03:53 PM
2395 GROMACS Task In Progress Normal break up commrec Mark Abraham 12/15/2019 11:51 AM GROMACS - 2021-infrastructure-stable
1554 GROMACS Bug Closed Low build of template.cpp is broken Teemu Murtola 10/01/2014 06:48 PM GROMACS - 5.1
1287 GROMACS Feature Closed Normal bump cmake requirement for 5.0 Mark Abraham 12/03/2013 04:17 PM GROMACS - 5.0
2012 GROMACS Task Closed Normal Bump required version numbers of infrastructure for 2018 Mark Abraham 11/01/2018 10:06 AM GROMACS - 2018
2831 GROMACS Task Closed Normal Bump required version numbers of infrastructure for 2020 Mark Abraham 10/29/2019 05:40 PM GROMACS - 2020-infrastructure-update-post-beta1
954 GROMACS Bug Closed Low calc_fluctuation_props output David van der Spoel 10/21/2012 12:40 PM GROMACS - 4.5.6
1993 GROMACS Bug Closed Normal calc_verlet_buffer_size can't handle nstlist==1 Berk Hess 06/27/2016 07:28 PM GROMACS - 2016
3112 GROMACS Bug Closed Normal CG minimization with DD broken by recent refactoring Berk Hess 10/02/2019 11:38 AM GROMACS - 2020-beta2
2770 GROMACS Task New Normal change branch maintenance policy 01/16/2020 05:09 PM GROMACS - 2021
1149 GROMACS Bug Closed Normal changes to dihedral restraints need corresponding changes to the manual Rossen Apostolov 06/20/2014 10:39 AM
636 GROMACS Task Closed Low check for updates to FindMPI.cmake Mark Abraham 01/17/2012 01:51 PM
2135 GROMACS Task Closed Normal check non-Jenkins compilers work Mark Abraham 01/04/2018 04:20 PM GROMACS - 2018
2772 GROMACS Task Rejected Normal check performance on POWER9 04/05/2019 04:50 PM GROMACS - 2019.2
631 GROMACS Task Rejected Low Check that CMake default compiler options are mutually consistent 05/01/2013 12:50 AM
2751 GROMACS Task Closed Normal checking for Sphinx executable version needs improvement Mark Abraham 11/16/2018 09:19 AM GROMACS - 2019
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
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
667 GROMACS Feature Rejected Low check_bonds_timestep() only reports the first suspicious bond Mark Abraham 07/11/2016 08:29 PM
2571 GROMACS Bug Closed Normal clang-tidy cmake needs improvement Roland Schulz 07/13/2018 07:20 AM GROMACS - 2019
816 GROMACS Bug Closed Low clarification of documentation of suface-tension coupling Rossen Apostolov 06/20/2014 08:29 AM GROMACS - 5.0
2796 GROMACS Task New Low clarify what mdrun -cpt means 01/03/2019 02:09 PM
2651 GROMACS Feature Closed Normal clean up mdrun log file handling Mark Abraham 10/11/2018 10:15 PM GROMACS - 2019
1459 GROMACS Bug Closed Normal clean up naming in pme code Mark Abraham 07/15/2014 06:49 AM GROMACS - 5.0
2724 GROMACS Task Closed Normal Clean up organization of bonded cuda module Mark Abraham 11/29/2018 10:41 AM GROMACS - 2019
1793 GROMACS Task New Normal cleanup of integration loop Mark Abraham 10/31/2018 10:49 PM GROMACS - future
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
1018 GROMACS Bug Closed Normal cmake and gpu acceleration Szilárd Páll 01/01/2013 12:35 PM GROMACS - 4.6
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
1047 GROMACS Feature Closed Normal CMake configuration summary Mark Abraham 07/11/2016 08:42 PM
1963 GROMACS Task New Low collect examples of systems where users tried to do something that performed badly Mark Abraham 08/09/2016 07:30 AM
1472 GROMACS Feature Closed Normal complete removal of libgsl support David van der Spoel 10/14/2015 06:10 PM GROMACS - 5.1.1
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
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
2535 GROMACS Task New Normal consider compiling opencl fft kernels once 05/31/2018 01:33 PM
1947 GROMACS Task New Normal Consider fixing corner case in TinyXML2 Mark Abraham 04/19/2016 01:40 AM
2530 GROMACS Task New Normal consider using CUDA Driver API 09/23/2018 11:47 PM GROMACS - future
2367 GROMACS Task New Normal construct pbc_simd less often 09/24/2018 11:02 PM GROMACS - future
2199 GROMACS Bug Closed Normal continuations can report double the initial temperature Berk Hess 06/27/2017 07:22 PM GROMACS - 2016.4
735 GROMACS Task Closed Normal conversion of manual build system to CMake Mark Abraham 05/23/2014 02:02 PM
1855 GROMACS Task New Normal Convert preprocessor use so that symbols are always defined 06/28/2016 02:17 PM
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
1260 Support Platforms Feature Closed Normal create 4.6.x target 06/10/2014 02:02 PM
1269 GROMACS Feature Closed Normal create CMake variable for x86 Mark Abraham 10/31/2013 12:15 PM GROMACS - 4.6.4
1985 GROMACS Bug Fix uploaded Low CUDA build system refactoring awaiting review 12/20/2019 12:07 PM GROMACS - 2021
2273 GROMACS Bug Closed Normal CUDA CC 2.0 issue 11/28/2017 05:59 PM GROMACS - 2018
2636 GROMACS Bug Closed Low DD code writes to terminals too much Mark Abraham 10/03/2018 11:33 PM GROMACS - 2019
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
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
2016 GROMACS Bug Rejected Normal DD setup may sometimes use wrong periodic images 08/08/2016 03:09 PM
2182 GROMACS Task New Low de-duplicate code in densorder and hydorder 05/16/2017 11:29 AM
1768 GROMACS Task New Normal decide future of command-line options vs env vars 11/03/2016 05:51 PM GROMACS - future
2916 GROMACS Task New Normal Decide future of symtab Paul Bauer 09/06/2019 02:35 PM GROMACS - 2021-infrastructure-stable
1236 GROMACS Feature Closed Low deprecate genion non-random insertion of ions Mark Abraham 12/16/2013 05:40 PM GROMACS - 4.6.3
1323 GROMACS Task New Normal determine future of existing tools for David van der Spoel 12/04/2018 11:53 AM
2354 GROMACS Feature New Normal develop configuration file support for control of task layout 09/19/2018 03:01 PM GROMACS - future
820 GROMACS Bug Closed Normal dihedral restraints need more documentation Erik Lindahl 06/20/2014 10:39 AM GROMACS - 5.0
2692 GROMACS Bug Closed Normal docs should not have unused files Paul Bauer 10/29/2018 11:01 AM GROMACS - 2019
1699 GROMACS Task Closed Low document change in andersen thermostat behaviour in the code 07/11/2016 08:03 PM GROMACS - 5.1
974 GROMACS Task Closed Normal Document use of environment variables 05/23/2014 02:02 PM GROMACS - 4.6
2797 GROMACS Task Rejected Low document whether fourier-nx/y/z mdp options disable PME tuning 12/10/2018 01:07 PM
1242 GROMACS Feature Closed Normal Documentation reorganization Mark Abraham 01/07/2019 02:02 AM
884 GROMACS Bug Closed High Don't allow mixed-precision appending Berk Hess 04/16/2012 03:35 PM GROMACS - 4.6
2326 GROMACS Bug Closed Normal double precision avx(2)_128_fma and sse4.1 broken 12/14/2017 01:18 AM GROMACS - 2018-beta2
1487 GROMACS Bug Closed Normal do_cpt_enerhist sets variables that are not used Berk Hess 07/11/2016 07:48 PM
683 GROMACS Feature Closed Low do_dssp could be improved Mark Abraham 06/17/2014 03:11 PM
2917 GROMACS Bug Closed Low do_steep segfaults with non-interacting system Mark Abraham 05/03/2019 11:18 AM GROMACS - 2019.3
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
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
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
1117 GROMACS Bug Closed Low ensemble-averaged distance restraints is probably broken 12/11/2017 12:19 PM GROMACS - future
633 Support Platforms Task Closed Normal Expand range of versions available when reporting bugs Rossen Apostolov 05/31/2017 05:50 PM
1246 GROMACS Task New Normal expanded ensemble .tpr cannot be rerun Michael Shirts 06/19/2015 01:56 PM
2002 GROMACS Feature Closed Normal extend cmake/gmxDetectTargetArchitecture.cmake for ARM and POWER 01/07/2019 01:52 AM
2635 GROMACS Bug Closed Normal Failing to detect GPUs should not write to terminals Mark Abraham 12/21/2018 09:20 AM GROMACS - 2019
1696 GROMACS Task Closed Normal FFTW auto-build and advice is no longer generally applicable 06/16/2015 10:25 PM GROMACS - 5.1
2496 GROMACS Task New Low find system xdr properly 05/02/2018 02:19 PM
853 GROMACS Task Closed Normal Fix FAHCORE because it can no longer use -DMPI in CMakeLists. Michael Shirts 12/28/2012 08:49 PM GROMACS - 4.6
1247 GROMACS Feature New Normal fix hardcoded references to atom names in analysis tools Mark Abraham 06/12/2014 01:20 AM GROMACS - future
2728 GROMACS Bug Closed Normal Fix NB kernel picking 02/28/2020 09:13 AM GROMACS - 2020.1
1455 GROMACS Task Closed Normal fix regressiontests to correctly rerun and report the mdrun usage Mark Abraham 07/11/2016 08:12 PM GROMACS - 5.1
1677 GROMACS Bug Closed Low floating-point exceptions found Erik Lindahl 06/16/2015 10:28 PM GROMACS - 5.1
1066 GROMACS Bug Rejected Normal FMA and icc Mark Abraham 01/10/2013 02:52 AM GROMACS - 4.6
1108 GROMACS Task Closed Normal for releases, regenerate shell completion files in scripts directory Mark Abraham 01/18/2013 03:26 PM GROMACS - 4.6
2726 GROMACS Bug Closed Normal FP exception in cufft 7.0 12/13/2018 11:41 AM GROMACS - 2019
1347 GROMACS Feature New Normal future of tables Berk Hess 01/09/2020 02:37 PM GROMACS - future
1058 GROMACS Task Closed High gcc 4.4.something up to at least 4.6.0 can't compile AVX256 kernels Erik Lindahl 12/29/2012 12:24 AM GROMACS - 4.6
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
1612 GROMACS Feature Closed Normal generating SIMD code 06/23/2016 11:14 AM GROMACS - 2016
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
2373 GROMACS Bug New Low gmx -nice can't work 01/04/2018 11:17 AM
1531 GROMACS Bug Closed Low gmx bar fatal errors write garbage values 06/16/2015 11:46 PM
1730 GROMACS Bug New Normal gmx compare does not compare all fields of a .tpr 06/12/2015 09:33 PM GROMACS - future
1397 GROMACS Feature New Normal gmx eneconv -offset 1.998 -dt 2 is broken for large times Mark Abraham 06/12/2014 01:31 AM GROMACS - future
2508 GROMACS Bug Closed Low gmx enemat segment faults Mark Abraham 06/05/2018 04:26 PM GROMACS - 2018.2
1438 GROMACS Bug Closed Normal gmx mdrun -h broken Teemu Murtola 02/24/2014 10:59 AM GROMACS - 5.0
2558 GROMACS Bug Rejected Normal gmx polystat mis-uses nmol Mark Abraham 06/21/2018 03:13 PM GROMACS - 2018.3
3084 GROMACS Bug Closed Normal gmx report-methods test unstable Paul Bauer 10/14/2019 01:31 PM GROMACS - 2020-beta2
2133 GROMACS Task New Low gmx traj needs reform 03/07/2017 02:02 PM
2225 GROMACS Bug Closed Low gmx trjcat -o pdb doesn't work 12/12/2017 10:37 PM
2722 GROMACS Bug Closed Normal gmxapi may over-manage RPATH Mark Abraham 12/20/2019 08:22 AM GROMACS - 2020-rc1
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
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
1271 GROMACS Bug Closed Normal GMXRC install is broken in master Teemu Murtola 01/24/2014 07:16 PM GROMACS - 5.0
1550 GROMACS Bug Closed Low GMX_MAX_MPI_THREADS has no implementation 06/22/2015 12:43 PM
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
2624 GROMACS Bug New Normal GPU build system not robust enough 09/05/2018 02:00 AM
2217 GROMACS Bug New Low GPU emulation and separate PME ranks doesn't work properly 12/12/2017 11:50 AM
2689 GROMACS Bug Rejected Normal gpu timer state not cleaned up 02/08/2019 06:51 AM GROMACS - 2019.1
1291 GROMACS Bug Closed Low GPU/CPU force evaluation time ratio seems wrong Szilárd Páll 07/11/2016 08:38 PM GROMACS - 2016
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
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
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
1975 GROMACS Feature Closed Normal grompp should warn if .mdp define does nothing Kevin Boyd 06/02/2019 09:07 PM GROMACS - 2020
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
834 GROMACS Bug Closed Normal g_bond and PBC Mark Abraham 06/13/2014 02:34 PM
862 GROMACS Bug Closed Normal g_hbond -r2 needs more documentation David van der Spoel 05/23/2014 02:02 PM
843 GROMACS Feature New Low g_helixorient could benefit from more documentation Erik Lindahl 05/23/2014 02:02 PM
1189 GROMACS Bug Closed Normal g_mindist and PBC Rossen Apostolov 06/20/2014 04:27 PM GROMACS - 4.6.6
679 GROMACS Task Closed Normal g_select documentation should be included in the manual Teemu Murtola 06/05/2015 07:30 PM GROMACS - 5.1
812 GROMACS Bug Closed Normal g_sham needs more documentation David van der Spoel 07/15/2014 06:43 AM GROMACS - 5.0
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
1298 GROMACS Feature Closed Low g_traj -f file.xtc -ov writes an empty file (silently?) 06/23/2014 02:16 PM GROMACS - 5.0
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
1119 GROMACS Bug Closed Normal g_tune_pme needs work for GPUs and/or OpenMP Mark Abraham 07/11/2016 07:59 PM
2921 GROMACS Bug Closed Normal hwloc test makes invalid assumptions Mark Abraham 04/15/2019 08:16 AM GROMACS - 2019.2
2648 GROMACS Bug Closed Normal icc 18 post-submit fails to compile not_null tests 11/28/2018 03:39 PM GROMACS - 2019
1815 Support Platforms Task In Progress Normal implement and execute plan for new releng machinery 10/15/2016 05:37 PM
2492 GROMACS Task New Normal implement force calculation via ForceProviders containing collections of IForceProvider Mark Abraham 09/19/2018 03:13 PM GROMACS - future
1868 GROMACS Task Closed Normal implement mdrun -rerun better, simplifying do_md Mark Abraham 10/03/2018 09:40 PM GROMACS - 2019
1900 GROMACS Feature New Normal Implement some new errors in grompp 06/22/2016 05:20 PM
632 GROMACS Feature Closed Normal Implementation of periodic improper dihedrals is incomplete Erik Lindahl 01/11/2013 12:36 PM GROMACS - 4.6
2861 GROMACS Task Closed Normal import an implementation of c++17 std::optional Mark Abraham 04/29/2019 11:47 AM GROMACS - future
2175 GROMACS Task New Normal improve clang static analyzer docs further 01/04/2018 04:13 PM GROMACS - future
2009 GROMACS Task New Normal improve command-line reporting of useful things 07/26/2016 12:54 PM
2773 GROMACS Task New Normal improve GPU error handling and make such handling uniform across modules 12/20/2019 01:09 PM GROMACS - 2021
2405 GROMACS Bug Closed Normal improve gpu_utils-test Mark Abraham 03/02/2018 03:52 PM GROMACS - 2018.1
1505 GROMACS Task New Normal improve handling of logging Mark Abraham 01/02/2019 06:06 PM
1295 GROMACS Feature Closed Low improve method for disabling use of GPU 12/03/2013 04:24 PM GROMACS - 4.6.4
2353 GROMACS Task New Normal improve on relative tolerance for constructing tables 12/20/2019 12:12 PM GROMACS - 2021
1182 GROMACS Feature New Normal improve trajectory writing to support parallel I/O 05/13/2014 10:42 AM GROMACS - future
765 GROMACS Task New Normal Improving serialization of data structures prior to communication Mark Abraham 05/13/2014 10:04 AM GROMACS - future
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
2505 GROMACS Task Closed Normal increase cmake reqirement for GROMACS 2020 Mark Abraham 01/28/2019 11:56 AM GROMACS - 2020
1297 GROMACS Bug Closed Normal infinite relative permittivity is incompletely implemented Mark Abraham 06/22/2015 12:43 PM
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
2826 GROMACS Task Closed Low introduce ssize free function 02/27/2019 05:43 PM
702 GROMACS Feature Rejected Normal Introducing gmx_cmdline_t Mark Abraham 04/19/2013 08:57 PM GROMACS - 5.0
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
2704 GROMACS Bug Closed Normal investigate change to log file Mark Abraham 10/21/2018 11:07 AM GROMACS - 2019
1039 GROMACS Task Rejected Low investigate whether clang 3.0 really is buggy for the 4.6 group kernels Mark Abraham 11/29/2013 12:26 AM GROMACS - 4.6.x
1882 GROMACS Bug Closed Normal issue with DD missing impossible exclusions Mark Abraham 02/03/2016 01:52 PM GROMACS - 2016
2006 GROMACS Bug Closed Normal issues with not using 64-bit step numbers everywhere 07/30/2016 08:38 PM
2750 GROMACS Task Closed Normal Jenkins FPE should be disabled for 2018 branch Mark Abraham 11/11/2018 03:08 AM GROMACS - 2018.4
1053 GROMACS Feature In Progress Normal L-BFGS doesn't use constraints or call do_em_step Berk Hess 01/18/2013 11:00 AM GROMACS - future
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
2761 GROMACS Feature New Low lincs-order 4 is too conservative for some force fields 11/16/2018 09:55 AM
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
1867 GROMACS Feature New Normal make coupling implementations reversible 12/02/2015 07:43 AM
2556 GROMACS Feature New Normal make default selections suitable for DNA and RNA Mark Abraham 06/20/2018 01:48 PM
1226 GROMACS Bug Closed Low make install installs .cvsignore files Mark Abraham 02/10/2014 09:40 PM GROMACS - 4.5.8
2839 GROMACS Task New Normal make module and file naming consistent 01/16/2020 05:11 PM GROMACS - 2021
2654 GROMACS Task Closed Normal make more symbols always defined 01/08/2019 05:27 PM GROMACS - 2020
677 GROMACS Task New Normal Make sure manual uses consistent style throughout 06/19/2014 11:49 AM
1390 GROMACS Task Closed Normal manage C+11 support and CUDA better 06/27/2016 08:28 PM GROMACS - 2016
1720 GROMACS Feature Rejected Low Manage GROMACS JIT caching 08/03/2016 12:25 PM GROMACS - future
1883 GROMACS Bug Closed Normal many velocity-verlet combinations do not produce exact restarts 05/08/2016 11:55 AM
2376 GROMACS Task New Normal max_mpi_ranks has wrong name 02/10/2018 11:03 AM
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
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
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
2643 GROMACS Feature New Low mdp options and/or docs for anisotropic aspects of implementations 09/12/2018 02:23 PM
2021 GROMACS Bug Rejected Normal mdrun -multidir should not have default 12/12/2017 03:27 PM
1633 GROMACS Bug Closed Low mdrun -nsteps -1 reports silly numbers Szilárd Páll 12/15/2014 09:45 PM GROMACS - 5.0.4
2039 GROMACS Bug New Normal mdrun -pinstride defaults are too confusing 12/13/2017 04:14 AM
1075 GROMACS Bug Closed Normal mdrun doesn't build on non-x86 Mark Abraham 12/28/2012 08:48 PM GROMACS - 4.6
1292 GROMACS Feature Closed Normal mdrun features to deprecate for 5.0 Mark Abraham 08/26/2019 03:47 PM GROMACS - 5.0
1992 GROMACS Task Closed Low mdrun should not advise users of things that don't matter Berk Hess 06/22/2016 05:43 PM GROMACS - 2016
1822 GROMACS Bug Closed Low mdrun writes broken energy group values to .edr file Erik Lindahl 01/03/2018 03:47 PM GROMACS - 2018
1683 GROMACS Bug Closed Normal mdrun-only build does not link correctly Mark Abraham 03/05/2015 10:25 AM GROMACS - 5.1
1724 GROMACS Bug Closed Low membed docs missing 06/16/2015 11:41 PM GROMACS - 5.1
1998 GROMACS Bug Closed Normal membed is apparently broken 07/11/2016 09:12 PM GROMACS - 2016
1897 GROMACS Bug Rejected Normal Memory leak in mdrun 03/15/2016 03:09 PM
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