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# Project Tracker Status Priority Subject Assignee Updated Target version
3231 GROMACS Bug New Normal simulationWorkload incorrect for some of the propagators 12/09/2019 07:13 PM
2990 GROMACS Bug New Normal ARM neon SIMD4 error 12/09/2019 02:21 PM GROMACS - 2020-rc1
2979 GROMACS Task Accepted Normal Reconsider default 1 OpenMP thread per thread-MPI rank Berk Hess 12/09/2019 01:59 PM GROMACS - 2020-rc1
2927 GROMACS Bug Feedback wanted Low CMake 3.14.1 fails to properly run gmxDetectCpu.make 12/09/2019 01:18 PM GROMACS - 2019.5
2961 GROMACS Feature New Normal How should Python package find GROMACS resources under various circumstances? 12/09/2019 10:47 AM
3225 GROMACS Bug Fix uploaded Normal gmx angle tool erroneously calculate torsion angles (dihedrals) near 180 degrees boundary 12/08/2019 12:57 AM GROMACS - 2019.5
3205 GROMACS Task Fix uploaded High address Debian experimental issues 12/07/2019 01:55 AM GROMACS - 2020-rc1
2767 GROMACS Bug Fix uploaded Normal grompp warns about md + FEP even for fully coupled states Berk Hess 12/06/2019 02:43 PM GROMACS - 2019.5
3180 GROMACS Task New Normal Remove extra D2H and H2D copies of coordinates when the COM motion is compensated. Artem Zhmurov 12/06/2019 01:15 PM GROMACS - 2021-infrastructure-stable
2888 GROMACS Feature In Progress High CUDA Update and Constraints module Artem Zhmurov 12/06/2019 10:45 AM GROMACS - 2021-infrastructure-stable
3226 GROMACS Bug In Progress High Regression tests segfault with GPU update and DD Artem Zhmurov 12/05/2019 03:31 PM GROMACS - 2020-rc1
3230 GROMACS Bug New Normal mdrun-test -ntmpi 2 deadlock in calculateForces in density fitting Christian Blau 12/05/2019 03:27 PM GROMACS - 2020-rc1
3130 GROMACS Task New Normal Interim handling of gmxapi data references. Eric Irrgang 12/05/2019 02:12 PM GROMACS - 2020-rc1
2737 GROMACS Bug Accepted Low AMD OpenCl failes release build in complex tests Szilárd Páll 12/05/2019 01:49 PM GROMACS - 2020-rc1
3216 GROMACS Task New Normal improve CPU force reductions Szilárd Páll 12/04/2019 09:24 PM
3229 GROMACS Task New Normal Move checkpointing to the beginning of the MD step 12/04/2019 07:41 PM GROMACS - 2021-infrastructure-stable
2974 GROMACS Bug New Normal position-restraints regressiontest fails on intel GPU with OpenCL 12/04/2019 06:18 PM GROMACS - 2019.5
2699 GROMACS Task New Normal Test POWER9 12/04/2019 03:29 PM GROMACS - 2021-infrastructure-stable
3228 GROMACS Bug New Normal gmxapi.commandline_operation should gracefully handle input/output file arguments Eric Irrgang 12/04/2019 03:27 PM GROMACS - 2021-infrastructure-stable
3227 GROMACS Bug New Normal solvate does not check return status of gmx_file_rename 12/04/2019 01:43 PM
2722 GROMACS Bug New Normal gmxapi may over-manage RPATH Mark Abraham 12/04/2019 11:32 AM GROMACS - 2020-rc1
3189 GROMACS Task In Progress High implement heuristics for switching between different spread/gather kernel layouts Jonathan Vincent 12/04/2019 10:47 AM GROMACS - 2020-rc1
2756 GROMACS Task In Progress Normal gmxapi integration testing 12/03/2019 06:20 PM GROMACS - 2020-rc1
3203 GROMACS Task Accepted Normal Tools should check that input is valid when first using it Paul Bauer 12/03/2019 05:26 PM GROMACS - 2021-infrastructure-stable
2816 GROMACS Feature New High GPU offload / optimization for update&constraits, buffer ops and multi-gpu communication Alan Gray 12/02/2019 02:43 PM GROMACS - 2021-infrastructure-stable
3093 GROMACS Task In Progress High rework GPU direct halo-exchange related force reduction complexities 12/02/2019 02:17 PM GROMACS - 2020-rc1
3159 GROMACS Task In Progress High eliminate regression due to moving gmx_pme_send_coordinates() Alan Gray 12/02/2019 01:59 PM GROMACS - 2020-rc1
3156 GROMACS Task New Normal move ddUsesGpuDirectCommunication and related conditionals into the workload data structures Alan Gray 12/02/2019 01:57 PM GROMACS - 2021-infrastructure-stable
2706 GROMACS Task Accepted Normal Rework classic QM/MM interface 12/02/2019 01:45 PM GROMACS - 2021-infrastructure-stable
2795 GROMACS Task New Normal Incorporate regressiontests into core gromacs 12/02/2019 01:44 PM GROMACS - 2021-infrastructure-stable
2875 GROMACS Task Accepted Normal SIMD version of the free-energy kernel Berk Hess 12/02/2019 01:44 PM GROMACS - 2021-infrastructure-stable
2833 GROMACS Task New Normal Update topology datastructures Paul Bauer 12/02/2019 01:43 PM GROMACS - 2021-infrastructure-stable
2395 GROMACS Task In Progress Normal break up commrec Mark Abraham 12/02/2019 01:24 PM GROMACS - 2021-infrastructure-stable
2396 GROMACS Task New Normal Refactor trajectoryanalysis module to allow handling of trajectory frame manipulation Paul Bauer 12/02/2019 01:24 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
3183 GROMACS Task Accepted Normal enable bonded interactions on GPU 12/02/2019 01:14 PM GROMACS - 2020-rc1
3163 GROMACS Bug New High gpuupdate / task assignment stabilization Artem Zhmurov 12/02/2019 01:14 PM GROMACS - 2020-rc1
3017 GROMACS Bug New Normal ddBalanceRegionHandler triggers need fixing 12/02/2019 01:13 PM GROMACS - 2020-rc1
3125 GROMACS Bug New Normal OpenCL on Volta and Turing borken 12/02/2019 01:13 PM GROMACS - 2020-rc1
2958 GROMACS Bug New Normal Compiling master (to become 2020) using CUDA 9.0 12/02/2019 01:12 PM GROMACS - 2020-rc1
2817 GROMACS Feature In Progress High GPU X/F buffer ops 12/02/2019 12:09 PM GROMACS - 2020-rc1
3029 GROMACS Feature In Progress High GPU force buffer ops + reduction 12/02/2019 12:09 PM GROMACS - 2020-rc1
3142 GROMACS Feature In Progress High centralize and clarify GPU force buffer clearing 12/02/2019 12:09 PM GROMACS - 2021-infrastructure-stable
3223 GROMACS Bug New Normal unit test failures give verify -1 12/02/2019 11:58 AM
2886 GROMACS Feature New Normal CUDA version of SETTLE Artem Zhmurov 12/02/2019 11:33 AM GROMACS - 2021-infrastructure-stable
2885 GROMACS Feature New Normal CUDA version of LINCS Artem Zhmurov 12/02/2019 11:32 AM GROMACS - 2021-infrastructure-stable
3167 GROMACS Task New High GPU update path user documentation Paul Bauer 12/02/2019 10:00 AM GROMACS - 2020-rc1
2891 GROMACS Feature New High PME/PP GPU communications 12/02/2019 09:59 AM
2998 GROMACS Task In Progress Normal Update Python detection 12/02/2019 09:58 AM GROMACS - 2021-infrastructure-stable
2967 GROMACS Feature New Normal GPU reallocateDeviceBuffer improvements 12/02/2019 09:54 AM GROMACS - 2021-infrastructure-stable
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