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# Project Tracker Status Priority Subject Assignee Updated Target version
3195 GROMACS Task New High assess nightly master failures 11/01/2019 09:21 PM GROMACS - 2020-beta3
3142 GROMACS Feature In Progress High centralize and clarify GPU force buffer clearing 11/01/2019 04:28 PM GROMACS - 2020-beta3
2107 GROMACS Task Accepted High Change to clang-format 08/02/2019 07:30 PM
2600 GROMACS Bug New High coul-lambdas turns off all coulombic interactions in system instead of the molecule specificed in the couple-moltype 08/07/2018 06:50 PM
2888 GROMACS Feature New High CUDA Update and Constraints module Artem Zhmurov 10/21/2019 03:59 PM GROMACS - 2020
2573 GROMACS Bug New High Different mdp files describing the same change yield different free energy on the same trajectory 07/19/2018 06:52 PM
3159 GROMACS Task In Progress High eliminate regression due to moving gmx_pme_send_coordinates() Alan Gray 11/01/2019 11:26 AM GROMACS - 2020-beta3
2229 GROMACS Feature New High Full Object Oriented Modularization of GROMACS MDRUN Codebase Mark Abraham 08/22/2018 05:03 PM GROMACS - future
2637 GROMACS Bug New High gmx solvate tears apart molecules 09/11/2018 07:43 PM
2915 GROMACS Feature New High GPU direct communications 10/24/2019 10:59 AM
3029 GROMACS Feature In Progress High GPU force buffer ops + reduction 11/01/2019 04:28 PM GROMACS - 2020-beta3
2890 GROMACS Feature New High GPU Halo Exchange 10/17/2019 02:00 PM GROMACS - 2020
2816 GROMACS Feature New High GPU offload / optimization for update&constraits, buffer ops and multi-gpu communication Alan Gray 11/01/2019 06:56 PM GROMACS - 2020
2817 GROMACS Feature In Progress High GPU X/F buffer ops 11/01/2019 04:28 PM GROMACS - 2020-beta3
3163 GROMACS Bug New High gpuupdate / task assignment stabilization Artem Zhmurov 10/31/2019 03:35 PM GROMACS - 2020-beta3
3160 GROMACS Feature In Progress High implement direct comm for different src/target memory spaces Alan Gray 11/11/2019 04:43 PM GROMACS - 2020-beta3
3189 GROMACS Task New High implement heuristics for switching between different spread/gather kernel layouts Jonathan Vincent 11/06/2019 04:27 PM GROMACS - 2020-beta3
2519 GROMACS Task New High Improve/remove PME OpenCL kernel barriers 02/15/2019 06:34 PM
2792 GROMACS Task New High Improvement of PME gather and spread CUDA kernels 10/30/2019 01:29 PM
2071 GROMACS Task In Progress High Low accuracy default settings yield incorrect liquid densities Berk Hess 01/05/2018 03:32 PM
2188 TNG trajectory library Feature Resolved High Masses missing from TNG specification Magnus Lundborg 06/13/2017 05:08 PM
3082 GROMACS Task New High move launch/synchronization points to clarify task dependencies 10/11/2019 05:53 PM GROMACS - 2020
2054 GROMACS Feature Accepted High PME on GPU Aleksei Iupinov 10/03/2019 09:41 PM GROMACS - 2020
2453 GROMACS Task Resolved High PME OpenCL porting effort Aleksei Iupinov 06/05/2019 05:32 PM GROMACS - 2020
2891 GROMACS Feature New High PME/PP GPU communications 11/01/2019 06:56 PM
2935 Support Platforms Bug New High redmine issue updates about gerrit uploads stopped working 06/11/2019 01:42 PM Support Platforms - current
3093 GROMACS Task In Progress High rework GPU direct halo-exchange related force reduction complexities 11/01/2019 08:58 PM GROMACS - 2020-beta3
2580 GROMACS Bug Feedback wanted High sc-coul option yields different free energy estimate on a ligand with zero partial charge 09/11/2018 08:10 AM
2099 Support Platforms Feature New High sharing accounts/credentials 12/06/2017 08:11 PM
3120 GROMACS Bug Resolved High Uninitialized energy and virial contributions with PME on GPU on PME-only rank 10/09/2019 11:15 AM GROMACS - 2019.5
3071 GROMACS Bug Accepted Normal complex.nbnxn-ljpme-LB-geometric failing with OpenCL timing debug mode assertions Szilárd Páll 09/02/2019 10:19 PM GROMACS - 2020
1964 GROMACS Feature Accepted Normal "pull=no" should not produce warnings about "unknown" pull keywords 05/20/2016 02:37 PM
2902 GROMACS Bug New Normal 2019.1 equilibration issue? (Intel 2018u3) 04/30/2019 08:17 AM
2876 GROMACS Bug New Normal 2019.1 make check fails on AVX and AVX2 (Intel 2018u3) Erik Lindahl 03/08/2019 10:32 AM
2035 GROMACS Task New Normal A common trajectory analysis data exchange format 03/15/2017 05:46 PM GROMACS - future
2218 GROMACS Feature Feedback wanted Normal A tiny feature: damping for umbrella pull 08/16/2017 07:20 PM
2068 GROMACS Feature New Normal Access to low level classes 03/02/2019 01:37 AM GROMACS - future
2905 GROMACS Task New Normal Add a Jenkins configuration with std library assert 08/24/2019 05:22 PM
2456 GROMACS Task New Normal Add a pull module external potential tests 03/15/2018 03:02 PM
2603 GROMACS Task New Normal Add ability to properly check coordinate files during testing Paul Bauer 10/15/2018 01:16 PM GROMACS - future
2928 GROMACS Feature New Normal Add ability to use expression "count of ATOM_EXPR" in selection statements. 04/16/2019 04:52 PM
687 Support Platforms Feature New Normal Add content on the front page 09/02/2019 01:08 PM
2579 GROMACS Feature New Normal Add dimensionality option to gmx trjconv -center 07/19/2018 04:53 PM GROMACS - future
2185 GROMACS Task New Normal add docs on MPI + CUDA w/wo MPS 05/24/2017 05:17 PM
3026 GROMACS Task New Normal add flags for GPU force buffer op / reduction activation 08/01/2019 04:46 PM GROMACS - 2020
2080 GROMACS Feature New Normal add grompp warning for suitableness for domain decomposition 11/23/2016 03:03 PM
2383 GROMACS Task New Normal Add JSON interface to write and read files Paul Bauer 01/16/2018 02:01 PM GROMACS - future
1523 GROMACS Task New Normal add missing code-paths to CUDA emulation kernel 07/11/2016 08:09 PM
3037 GROMACS Task New Normal add missing cylcle counters related to buffer ops/reduction launches 09/24/2019 03:27 PM GROMACS - 2020
2546 GROMACS Task New Normal Add more assertions to AWH code Viveca Lindahl 06/06/2018 11:20 AM GROMACS - future
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