Project

General

Profile

Issues

Filters

Apply Clear

# 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
(1-100/353) Per page: 25, 50, 100, 200

Also available in: Atom CSV PDF