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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
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