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# Project Tracker Status Priority Subject Assignee Updated Target version
1647 GROMACS Bug Closed High race condition with lincs + openmp + free-energy Mark Abraham 12/09/2014 04:18 PM GROMACS - 5.0.3
1597 GROMACS Feature Closed High OpenCL port Mark Abraham 07/05/2015 10:39 AM GROMACS - 5.1
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
1049 GROMACS Bug Closed High pick_nbnxn_kernel needs reworking Berk Hess 01/18/2013 11:00 AM GROMACS - 4.6
884 GROMACS Bug Closed High Don't allow mixed-precision appending Berk Hess 04/16/2012 03:35 PM GROMACS - 4.6
3274 GROMACS Bug New Normal Remove ARM NEON SIMD 12/28/2019 07:53 AM GROMACS - 2021-infrastructure-stable
3131 GROMACS Task New Normal support ccache with clang-tidy Mark Abraham 12/20/2019 08:20 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
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
3089 GROMACS Task Closed Normal relax dlb scaling limit when that would suit GPU halo exchange Berk Hess 10/14/2019 01:32 PM GROMACS - 2020-beta2
3084 GROMACS Bug Closed Normal gmx report-methods test unstable Paul Bauer 10/14/2019 01:31 PM GROMACS - 2020-beta2
3065 GROMACS Task Closed Normal Agree and implement version support for GROMACS 2021 08/24/2019 05:25 PM
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
2916 GROMACS Task New Normal Decide future of symtab Paul Bauer 09/06/2019 02:35 PM GROMACS - 2021-infrastructure-stable
2908 GROMACS Task New Normal Renaming things in nbnxm Berk Hess 03/28/2019 10:10 AM
2899 GROMACS Task Closed Normal Update testing matrix versions for GROMACS 2020 release Mark Abraham 10/29/2019 05:41 PM GROMACS - 2020-infrastructure-update-post-beta1
2897 GROMACS Bug New Normal rotation/flex2 can still fail on cpu-only run on OpenCL build 04/04/2019 06:24 PM
2889 GROMACS Task New Normal update grompp warnings for brevity, usefulness and actionability Mark Abraham 12/27/2019 04:38 PM GROMACS - future
2877 GROMACS Task New Normal use gmx::Options more Mark Abraham 12/20/2019 01:22 PM GROMACS - 2021
2873 GROMACS Bug New Normal Simple way to get last frame from trajectory 02/28/2019 11:14 PM
2861 GROMACS Task Closed Normal import an implementation of c++17 std::optional Mark Abraham 04/29/2019 11:47 AM GROMACS - future
2839 GROMACS Task New Normal make module and file naming consistent 01/16/2020 05:11 PM GROMACS - 2021
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
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
2773 GROMACS Task New Normal improve GPU error handling and make such handling uniform across modules 12/20/2019 01:09 PM GROMACS - 2021
2772 GROMACS Task Rejected Normal check performance on POWER9 04/05/2019 04:50 PM GROMACS - 2019.2
2770 GROMACS Task New Normal change branch maintenance policy 01/16/2020 05:09 PM GROMACS - 2021
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
2751 GROMACS Task Closed Normal checking for Sphinx executable version needs improvement Mark Abraham 11/16/2018 09:19 AM GROMACS - 2019
2750 GROMACS Task Closed Normal Jenkins FPE should be disabled for 2018 branch Mark Abraham 11/11/2018 03:08 AM GROMACS - 2018.4
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
2724 GROMACS Task Closed Normal Clean up organization of bonded cuda module Mark Abraham 11/29/2018 10:41 AM GROMACS - 2019
2723 GROMACS Task New Normal Update mdrun-performance.rst to clearly express the nature of task Joe Jordan 02/27/2020 11:07 AM GROMACS - 2020.2
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
2699 GROMACS Task New Normal Test POWER9 12/04/2019 03:29 PM GROMACS - 2021-infrastructure-stable
2692 GROMACS Bug Closed Normal docs should not have unused files Paul Bauer 10/29/2018 11:01 AM GROMACS - 2019
2691 GROMACS Feature Closed Normal MiMiC needs reference documentation 12/03/2018 12:06 PM GROMACS - 2019
2690 GROMACS Task Closed Normal relax new dependency cycle 10/15/2018 05:13 PM GROMACS - 2019
2689 GROMACS Bug Rejected Normal gpu timer state not cleaned up 02/08/2019 06:51 AM GROMACS - 2019.1
2671 GROMACS Task New Normal replace constants like M_PI 12/20/2019 01:17 PM GROMACS - future
2665 GROMACS Task Closed Normal remove fermi support Szilárd Páll 10/22/2018 12:23 PM GROMACS - 2019
2655 GROMACS Task Closed Normal Remove NVML support Mark Abraham 10/01/2018 11:46 AM GROMACS - 2019
2654 GROMACS Task Closed Normal make more symbols always defined 01/08/2019 05:27 PM GROMACS - 2020
2651 GROMACS Feature Closed Normal clean up mdrun log file handling Mark Abraham 10/11/2018 10:15 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
2644 GROMACS Task New Normal Replace compute_globals Mark Abraham 09/24/2018 05:51 PM GROMACS - future
2635 GROMACS Bug Closed Normal Failing to detect GPUs should not write to terminals Mark Abraham 12/21/2018 09:20 AM GROMACS - 2019
2629 GROMACS Task Closed Normal stablise testing matrices for GROMACS 2019 01/21/2019 01:22 PM GROMACS - 2019.1
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
2569 GROMACS Task Closed Normal announce deprecations in GROMACS 2019 Mark Abraham 12/17/2018 01:45 PM GROMACS - 2019
2558 GROMACS Bug Rejected Normal gmx polystat mis-uses nmol Mark Abraham 06/21/2018 03:13 PM GROMACS - 2018.3
2556 GROMACS Feature New Normal make default selections suitable for DNA and RNA Mark Abraham 06/20/2018 01:48 PM
2538 GROMACS Task New Normal organize more of the PME GPU code along task-specific lines Mark Abraham 05/31/2018 05:41 PM
2535 GROMACS Task New Normal consider compiling opencl fft kernels once 05/31/2018 01:33 PM
2530 GROMACS Task New Normal consider using CUDA Driver API 09/23/2018 11:47 PM GROMACS - future
2518 GROMACS Task New Normal redesign task-assignment code for OpenCL 12/20/2019 12:19 PM GROMACS - future
2505 GROMACS Task Closed Normal increase cmake reqirement for GROMACS 2020 Mark Abraham 01/28/2019 11:56 AM GROMACS - 2020
2495 GROMACS Task Accepted Normal replace -noconfout with mdp option Mark Abraham 12/28/2019 10:39 AM GROMACS - 2021
2492 GROMACS Task New Normal implement force calculation via ForceProviders containing collections of IForceProvider Mark Abraham 09/19/2018 03:13 PM GROMACS - future
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
2425 GROMACS Task New Normal testing multisim with multiple ranks per simulation Mark Abraham 12/20/2019 12:13 PM GROMACS - 2021
2423 GROMACS Task New Normal modernize constraints code Mark Abraham 09/19/2018 03:01 PM GROMACS - future
2422 GROMACS Task New Normal write C kernel for tables in Verlet scheme 02/26/2018 01:38 PM
2405 GROMACS Bug Closed Normal improve gpu_utils-test Mark Abraham 03/02/2018 03:52 PM GROMACS - 2018.1
2395 GROMACS Task In Progress Normal break up commrec Mark Abraham 12/15/2019 11:51 AM GROMACS - 2021-infrastructure-stable
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
2376 GROMACS Task New Normal max_mpi_ranks has wrong name 02/10/2018 11:03 AM
2371 GROMACS Task New Normal mtop searching needs reconsideration 01/04/2018 11:54 AM GROMACS - future
2370 GROMACS Bug Closed Normal pdb2gmx does not report why chains of residues are teminated 02/28/2018 11:27 PM
2368 GROMACS Task In Progress Normal update implementation of gmx msd Kevin Boyd 11/03/2018 07:43 PM GROMACS - future
2367 GROMACS Task New Normal construct pbc_simd less often 09/24/2018 11:02 PM GROMACS - future
2355 GROMACS Task Closed Normal update bundled googletest Mark Abraham 02/23/2018 05:51 PM GROMACS - 2019
2354 GROMACS Feature New Normal develop configuration file support for control of task layout 09/19/2018 03:01 PM GROMACS - future
2353 GROMACS Task New Normal improve on relative tolerance for constructing tables 12/20/2019 12:12 PM GROMACS - 2021
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
2223 GROMACS Bug Closed Normal Orientation restraints broken with OpenMP David van der Spoel 08/15/2017 04:55 PM GROMACS - 2016.4
2220 GROMACS Feature New Normal report relevant env var behaviour to console 07/31/2017 09:40 PM
2199 GROMACS Bug Closed Normal continuations can report double the initial temperature Berk Hess 06/27/2017 07:22 PM GROMACS - 2016.4
2178 GROMACS Task New Normal Move checks for specific warnings to source repo 05/12/2017 03:57 PM
2175 GROMACS Task New Normal improve clang static analyzer docs further 01/04/2018 04:13 PM GROMACS - future
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
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
2169 GROMACS Task New Normal remove 'continuation' mdp option 12/29/2019 10:31 AM GROMACS - 2021
2164 GROMACS Bug Closed Normal SIMD sqrt in double-precision build does not work correctly 10/25/2017 04:57 PM GROMACS - 2018
2161 GROMACS Task Closed Normal update the way testing matrices are specified Mark Abraham 10/15/2018 05:16 PM GROMACS - 2019
2146 GROMACS Task Closed Normal salvage documentation from old webpage 12/28/2018 12:35 PM GROMACS - 2019
2135 GROMACS Task Closed Normal check non-Jenkins compilers work Mark Abraham 01/04/2018 04:20 PM GROMACS - 2018
2134 GROMACS Task Closed Normal assess whether Jenkins is testing multi-rank runs appropriately 01/04/2018 02:24 PM GROMACS - 2018
2123 GROMACS Task Closed Normal Use RAII for file-static data Mark Abraham 04/24/2017 09:12 AM GROMACS - 2018
2115 GROMACS Task New Normal trjconv does too many things, and combinations of them work poorly 10/02/2018 09:04 AM
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
2093 GROMACS Bug Closed Normal possible unstable listedforces-test BondedTest.IfuncBondsPbcNo 12/12/2017 10:56 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
2066 Support Platforms Feature Closed Normal possible release workflow enhancements 05/31/2017 07:48 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
2012 GROMACS Task Closed Normal Bump required version numbers of infrastructure for 2018 Mark Abraham 11/01/2018 10:06 AM GROMACS - 2018
2009 GROMACS Task New Normal improve command-line reporting of useful things 07/26/2016 12:54 PM
2006 GROMACS Bug Closed Normal issues with not using 64-bit step numbers everywhere 07/30/2016 08:38 PM
2003 GROMACS Task New Normal reconsider various simd flags 07/07/2016 11:23 PM
2002 GROMACS Feature Closed Normal extend cmake/gmxDetectTargetArchitecture.cmake for ARM and POWER 01/07/2019 01:52 AM
1998 GROMACS Bug Closed Normal membed is apparently broken 07/11/2016 09:12 PM 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
1975 GROMACS Feature Closed Normal grompp should warn if .mdp define does nothing Kevin Boyd 06/02/2019 09:07 PM GROMACS - 2020
1973 GROMACS Task New Normal OpenCL implementation wish list 05/27/2016 03:42 PM
1947 GROMACS Task New Normal Consider fixing corner case in TinyXML2 Mark Abraham 04/19/2016 01:40 AM
1936 GROMACS Task New Normal treat default-able mdp fields as strings 04/02/2016 10:32 PM GROMACS - future
1925 GROMACS Task In Progress Normal remove concept of unilateral global communication 12/29/2019 10:35 AM 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
1908 GROMACS Task Closed Normal remove external dependencies that are sometimes problematic Mark Abraham 06/27/2017 11:17 PM GROMACS - 2018
1900 GROMACS Feature New Normal Implement some new errors in grompp 06/22/2016 05:20 PM
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
1868 GROMACS Task Closed Normal implement mdrun -rerun better, simplifying do_md Mark Abraham 10/03/2018 09:40 PM GROMACS - 2019
1867 GROMACS Feature New Normal make coupling implementations reversible 12/02/2015 07:43 AM
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
1855 GROMACS Task New Normal Convert preprocessor use so that symbols are always defined 06/28/2016 02:17 PM
1852 GROMACS Task New Normal Remove group scheme 03/03/2020 09:03 PM GROMACS - future
1815 Support Platforms Task In Progress Normal implement and execute plan for new releng machinery 10/15/2016 05:37 PM
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
1793 GROMACS Task New Normal cleanup of integration loop Mark Abraham 10/31/2018 10:49 PM GROMACS - future
1768 GROMACS Task New Normal decide future of command-line options vs env vars 11/03/2016 05:51 PM GROMACS - future
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
1758 GROMACS Task New Normal Verlet scheme reorganization / modularization Mark Abraham 07/20/2015 06:33 PM GROMACS - future
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
1729 GROMACS Task New Normal Resolve whether and how to resolve "state" variables stored in .tpr 05/13/2015 10:48 AM GROMACS - future
1703 GROMACS Bug Closed Normal be less vocal about affinity where it is not relevant 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
1696 GROMACS Task Closed Normal FFTW auto-build and advice is no longer generally applicable 06/16/2015 10:25 PM GROMACS - 5.1
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
1673 GROMACS Bug Closed Normal mis-use of simd.h after refactoring Mark Abraham 11/16/2015 06:11 PM GROMACS - 5.1.1
1666 GROMACS Feature New Normal new approach for Verlet-scheme kernel generation Erik Lindahl 10/08/2018 07:04 PM GROMACS - future
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
1612 GROMACS Feature Closed Normal generating SIMD code 06/23/2016 11:14 AM GROMACS - 2016
1520 GROMACS Bug Closed Normal tng include/library/linking problems Mark Abraham 06/29/2014 10:03 AM GROMACS - 5.0
1505 GROMACS Task New Normal improve handling of logging Mark Abraham 01/02/2019 06:06 PM
1500 GROMACS Feature New Normal Post-5.0 feature clean-up plan Mark Abraham 08/26/2019 03:47 PM
1487 GROMACS Bug Closed Normal do_cpt_enerhist sets variables that are not used Berk Hess 07/11/2016 07:48 PM
1472 GROMACS Feature Closed Normal complete removal of libgsl support David van der Spoel 10/14/2015 06:10 PM GROMACS - 5.1.1
1459 GROMACS Bug Closed Normal clean up naming in pme code Mark Abraham 07/15/2014 06:49 AM GROMACS - 5.0
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
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
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
1390 GROMACS Task Closed Normal manage C+11 support and CUDA better 06/27/2016 08:28 PM GROMACS - 2016
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
1347 GROMACS Feature New Normal future of tables Berk Hess 01/09/2020 02:37 PM GROMACS - future
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
1323 GROMACS Task New Normal determine future of existing tools for David van der Spoel 12/04/2018 11:53 AM
1320 GROMACS Task Closed Normal renaming of MPI-related conditional-compilation machinery Mark Abraham 07/11/2016 08:18 PM GROMACS - 5.1
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
1310 GROMACS Task Closed Normal update bundled threading support for GMock Teemu Murtola 08/14/2013 08:03 AM GROMACS - 5.0
1297 GROMACS Bug Closed Normal infinite relative permittivity is incompletely implemented Mark Abraham 06/22/2015 12:43 PM
1292 GROMACS Feature Closed Normal mdrun features to deprecate for 5.0 Mark Abraham 08/26/2019 03:47 PM GROMACS - 5.0
1287 GROMACS Feature Closed Normal bump cmake requirement for 5.0 Mark Abraham 12/03/2013 04:17 PM GROMACS - 5.0
1271 GROMACS Bug Closed Normal GMXRC install is broken in master Teemu Murtola 01/24/2014 07:16 PM GROMACS - 5.0
1269 GROMACS Feature Closed Normal create CMake variable for x86 Mark Abraham 10/31/2013 12:15 PM GROMACS - 4.6.4
1260 Support Platforms Feature Closed Normal create 4.6.x target 06/10/2014 02:02 PM
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
1247 GROMACS Feature New Normal fix hardcoded references to atom names in analysis tools Mark Abraham 06/12/2014 01:20 AM GROMACS - future
1246 GROMACS Task New Normal expanded ensemble .tpr cannot be rerun Michael Shirts 06/19/2015 01:56 PM
1242 GROMACS Feature Closed Normal Documentation reorganization Mark Abraham 01/07/2019 02:02 AM
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
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