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# Project Tracker Status Priority Subject Assignee Updated Target version
1852 GROMACS Task New Normal Remove group scheme 03/03/2020 09:03 PM GROMACS - future
2728 GROMACS Bug Closed Normal Fix NB kernel picking 02/28/2020 09:13 AM GROMACS - 2020.1
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
2839 GROMACS Task New Normal make module and file naming consistent 01/16/2020 05:11 PM GROMACS - 2021
2770 GROMACS Task New Normal change branch maintenance policy 01/16/2020 05:09 PM GROMACS - 2021
1347 GROMACS Feature New Normal future of tables Berk Hess 01/09/2020 02:37 PM GROMACS - future
1925 GROMACS Task In Progress Normal remove concept of unilateral global communication 12/29/2019 10:35 AM GROMACS - 2021
2169 GROMACS Task New Normal remove 'continuation' mdp option 12/29/2019 10:31 AM GROMACS - 2021
2832 GROMACS Bug New Low PaddedVector move operations broken Mark Abraham 12/28/2019 10:40 AM GROMACS - 2021
2495 GROMACS Task Accepted Normal replace -noconfout with mdp option Mark Abraham 12/28/2019 10:39 AM GROMACS - 2021
3274 GROMACS Bug New Normal Remove ARM NEON SIMD 12/28/2019 07:53 AM GROMACS - 2021-infrastructure-stable
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
2671 GROMACS Task New Normal replace constants like M_PI 12/20/2019 01:17 PM GROMACS - future
2773 GROMACS Task New Normal improve GPU error handling and make such handling uniform across modules 12/20/2019 01:09 PM GROMACS - 2021
2518 GROMACS Task New Normal redesign task-assignment code for OpenCL 12/20/2019 12:19 PM GROMACS - future
2425 GROMACS Task New Normal testing multisim with multiple ranks per simulation Mark Abraham 12/20/2019 12:13 PM GROMACS - 2021
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
2353 GROMACS Task New Normal improve on relative tolerance for constructing tables 12/20/2019 12:12 PM GROMACS - 2021
2192 GROMACS Bug Accepted Low grompp should read floats (e.g charge) from data files to double, to avoid accumulating round-off error Berk Hess 12/20/2019 12:11 PM GROMACS - 2021
1985 GROMACS Bug Fix uploaded Low CUDA build system refactoring awaiting review 12/20/2019 12:07 PM GROMACS - 2021
2722 GROMACS Bug Closed Normal gmxapi may over-manage RPATH Mark Abraham 12/20/2019 08:22 AM GROMACS - 2020-rc1
3131 GROMACS Task New Normal support ccache with clang-tidy Mark Abraham 12/20/2019 08:20 AM GROMACS - 2021-infrastructure-stable
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
2395 GROMACS Task In Progress Normal break up commrec Mark Abraham 12/15/2019 11:51 AM GROMACS - 2021-infrastructure-stable
2699 GROMACS Task New Normal Test POWER9 12/04/2019 03:29 PM GROMACS - 2021-infrastructure-stable
2481 GROMACS Task New Low Update gmx report-methods to write more method information 12/02/2019 01:22 PM GROMACS - 2021-infrastructure-stable
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
3111 GROMACS Bug Closed Low sample_restraint testing should not download files Eric Irrgang 10/31/2019 03:35 PM GROMACS - 2020-beta2
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
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
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
3112 GROMACS Bug Closed Normal CG minimization with DD broken by recent refactoring Berk Hess 10/02/2019 11:38 AM GROMACS - 2020-beta2
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
2916 GROMACS Task New Normal Decide future of symtab Paul Bauer 09/06/2019 02:35 PM GROMACS - 2021-infrastructure-stable
1500 GROMACS Feature New Normal Post-5.0 feature clean-up plan Mark Abraham 08/26/2019 03:47 PM
1292 GROMACS Feature Closed Normal mdrun features to deprecate for 5.0 Mark Abraham 08/26/2019 03:47 PM GROMACS - 5.0
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
1975 GROMACS Feature Closed Normal grompp should warn if .mdp define does nothing Kevin Boyd 06/02/2019 09:07 PM GROMACS - 2020
2917 GROMACS Bug Closed Low do_steep segfaults with non-interacting system Mark Abraham 05/03/2019 11:18 AM GROMACS - 2019.3
2861 GROMACS Task Closed Normal import an implementation of c++17 std::optional Mark Abraham 04/29/2019 11:47 AM GROMACS - future
2921 GROMACS Bug Closed Normal hwloc test makes invalid assumptions Mark Abraham 04/15/2019 08:16 AM GROMACS - 2019.2
2913 GROMACS Task Closed Low remove GMX_HAVE_WINSOCK Mark Abraham 04/10/2019 05:10 PM GROMACS - 2020-beta1
2772 GROMACS Task Rejected Normal check performance on POWER9 04/05/2019 04:50 PM GROMACS - 2019.2
2897 GROMACS Bug New Normal rotation/flex2 can still fail on cpu-only run on OpenCL build 04/04/2019 06:24 PM
2908 GROMACS Task New Normal Renaming things in nbnxm Berk Hess 03/28/2019 10:10 AM
2873 GROMACS Bug New Normal Simple way to get last frame from trajectory 02/28/2019 11:14 PM
2826 GROMACS Task Closed Low introduce ssize free function 02/27/2019 05:43 PM
2689 GROMACS Bug Rejected Normal gpu timer state not cleaned up 02/08/2019 06:51 AM GROMACS - 2019.1
2505 GROMACS Task Closed Normal increase cmake reqirement for GROMACS 2020 Mark Abraham 01/28/2019 11:56 AM GROMACS - 2020
2629 GROMACS Task Closed Normal stablise testing matrices for GROMACS 2019 01/21/2019 01:22 PM GROMACS - 2019.1
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
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
2654 GROMACS Task Closed Normal make more symbols always defined 01/08/2019 05:27 PM GROMACS - 2020
1123 GROMACS Feature Rejected Normal binary incompatibility 01/07/2019 02:05 AM
1242 GROMACS Feature Closed Normal Documentation reorganization Mark Abraham 01/07/2019 02:02 AM
2002 GROMACS Feature Closed Normal extend cmake/gmxDetectTargetArchitecture.cmake for ARM and POWER 01/07/2019 01:52 AM
2269 GROMACS Feature Rejected Low support some latest-1 versions in Jenkins testing 01/07/2019 01:48 AM
2796 GROMACS Task New Low clarify what mdrun -cpt means 01/03/2019 02:09 PM
1505 GROMACS Task New Normal improve handling of logging Mark Abraham 01/02/2019 06:06 PM
2146 GROMACS Task Closed Normal salvage documentation from old webpage 12/28/2018 12:35 PM GROMACS - 2019
2635 GROMACS Bug Closed Normal Failing to detect GPUs should not write to terminals Mark Abraham 12/21/2018 09:20 AM GROMACS - 2019
2569 GROMACS Task Closed Normal announce deprecations in GROMACS 2019 Mark Abraham 12/17/2018 01:45 PM GROMACS - 2019
2726 GROMACS Bug Closed Normal FP exception in cufft 7.0 12/13/2018 11:41 AM GROMACS - 2019
2797 GROMACS Task Rejected Low document whether fourier-nx/y/z mdp options disable PME tuning 12/10/2018 01:07 PM
2783 GROMACS Bug Closed Normal PDF reference manual suggestions Paul Bauer 12/10/2018 04:15 AM GROMACS - 2019-rc1
2775 GROMACS Bug Closed Normal number of ranks reporting was wrong 12/10/2018 03:05 AM GROMACS - 2019
2784 GROMACS Task Closed Low update parallel lincs reference manual section for update groups Berk Hess 12/05/2018 05:15 PM GROMACS - 2019
1323 GROMACS Task New Normal determine future of existing tools for David van der Spoel 12/04/2018 11:53 AM
2691 GROMACS Feature Closed Normal MiMiC needs reference documentation 12/03/2018 12:06 PM GROMACS - 2019
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
2724 GROMACS Task Closed Normal Clean up organization of bonded cuda module Mark Abraham 11/29/2018 10:41 AM 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
2664 GROMACS Bug Closed Low gmxapi tests using gmx to make a .tpr needs to be quieter Paul Bauer 11/23/2018 02:17 PM GROMACS - 2019
2761 GROMACS Feature New Low lincs-order 4 is too conservative for some force fields 11/16/2018 09:55 AM
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
2368 GROMACS Task In Progress Normal update implementation of gmx msd Kevin Boyd 11/03/2018 07:43 PM GROMACS - future
2012 GROMACS Task Closed Normal Bump required version numbers of infrastructure for 2018 Mark Abraham 11/01/2018 10:06 AM GROMACS - 2018
1793 GROMACS Task New Normal cleanup of integration loop Mark Abraham 10/31/2018 10:49 PM GROMACS - future
2692 GROMACS Bug Closed Normal docs should not have unused files Paul Bauer 10/29/2018 11:01 AM GROMACS - 2019
2665 GROMACS Task Closed Normal remove fermi support Szilárd Páll 10/22/2018 12:23 PM GROMACS - 2019
2704 GROMACS Bug Closed Normal investigate change to log file Mark Abraham 10/21/2018 11:07 AM GROMACS - 2019
1937 GROMACS Task New Low stop supporting changing CUDA host compiler Mark Abraham 10/15/2018 05:19 PM GROMACS - future
2161 GROMACS Task Closed Normal update the way testing matrices are specified Mark Abraham 10/15/2018 05:16 PM GROMACS - 2019
2690 GROMACS Task Closed Normal relax new dependency cycle 10/15/2018 05:13 PM GROMACS - 2019
2651 GROMACS Feature Closed Normal clean up mdrun log file handling Mark Abraham 10/11/2018 10:15 PM GROMACS - 2019
1666 GROMACS Feature New Normal new approach for Verlet-scheme kernel generation Erik Lindahl 10/08/2018 07:04 PM GROMACS - future
2636 GROMACS Bug Closed Low DD code writes to terminals too much Mark Abraham 10/03/2018 11:33 PM GROMACS - 2019
1868 GROMACS Task Closed Normal implement mdrun -rerun better, simplifying do_md Mark Abraham 10/03/2018 09:40 PM GROMACS - 2019
2072 GROMACS Feature Closed Low target hardware description is silent about the result Mark Abraham 10/03/2018 09:38 PM GROMACS - 2019
2115 GROMACS Task New Normal trjconv does too many things, and combinations of them work poorly 10/02/2018 09:04 AM
2655 GROMACS Task Closed Normal Remove NVML support Mark Abraham 10/01/2018 11:46 AM GROMACS - 2019
2367 GROMACS Task New Normal construct pbc_simd less often 09/24/2018 11:02 PM GROMACS - future
2644 GROMACS Task New Normal Replace compute_globals Mark Abraham 09/24/2018 05:51 PM GROMACS - future
2530 GROMACS Task New Normal consider using CUDA Driver API 09/23/2018 11:47 PM GROMACS - future
2492 GROMACS Task New Normal implement force calculation via ForceProviders containing collections of IForceProvider Mark Abraham 09/19/2018 03:13 PM GROMACS - future
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