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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
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