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# Project Tracker Status Priority Subject Assignee Updated Target version
3061 GROMACS Task Resolved Normal support for Zen2 10/16/2019 09:06 AM GROMACS - 2020-beta2
2891 GROMACS Feature New Normal PME/PP GPU communications 10/15/2019 11:18 PM
3074 GROMACS Bug Feedback wanted Normal box volume is affected by decoupled molecule when using couple-moltype mdp option Berk Hess 10/15/2019 09:25 PM
3148 GROMACS Feature New Normal Roadmap for gmxapi filesystem interactions. Eric Irrgang 10/15/2019 06:23 PM GROMACS - 2021-infrastructure-stable
3149 GROMACS Feature New Normal Python user interface for obtaining simulation artifacts as files. Eric Irrgang 10/15/2019 06:21 PM
3147 GROMACS Feature New Normal gmxapi workflow checkpointing Eric Irrgang 10/15/2019 06:18 PM GROMACS - 2021-infrastructure-stable
3141 GROMACS Bug New Normal gmxapi File placeholders missing from beta release Eric Irrgang 10/15/2019 03:57 PM GROMACS - 2020
3140 GROMACS Feature New Normal Allow explicit input definition for gmxapi.operation function wrapper Eric Irrgang 10/15/2019 03:56 PM GROMACS - 2020
3138 GROMACS Feature New Normal Improve ensemble support in Context specification. 10/15/2019 03:56 PM
3139 GROMACS Task New Normal gmxapi Futures should be subscribable Eric Irrgang 10/15/2019 03:56 PM
3130 GROMACS Task New Normal Interim handling of gmxapi data references. Eric Irrgang 10/15/2019 09:07 AM GROMACS - 2020-beta2
3131 GROMACS Task New Normal support ccache with clang-tidy Mark Abraham 10/15/2019 07:23 AM
2737 GROMACS Bug Accepted Low AMD OpenCl failes release build in complex tests Szilárd Páll 10/14/2019 09:16 PM GROMACS - 2020-beta2
2958 GROMACS Bug New Normal Compiling master (to become 2020) using CUDA 9.0 10/14/2019 09:15 PM GROMACS - 2020-beta2
3136 GROMACS Bug New Normal gmxapi.operation data flow topology unclear or incomplete Eric Irrgang 10/14/2019 08:16 PM GROMACS - 2020-beta2
3144 GROMACS Bug New Normal gmxapi.mdrun does not clearly expose the output trajectory. Eric Irrgang 10/14/2019 06:55 PM GROMACS - 2020-beta2
3143 GROMACS Task New Normal move the non-force accumulation/accounting tasks out of the GPU wait functions Szilárd Páll 10/14/2019 05:14 PM GROMACS - 2020
3142 GROMACS Feature New High centralize and clarify GPU force buffer clearing 10/14/2019 04:56 PM GROMACS - 2020-beta2
2816 GROMACS Feature New High GPU offload / optimization for update&constraits, buffer ops and multi-gpu communication Alan Gray 10/14/2019 01:32 PM GROMACS - 2020
2890 GROMACS Feature New High GPU Halo Exchange 10/14/2019 01:32 PM GROMACS - 2020
3135 GROMACS Feature New Normal Make GPU traits ino opaque types 10/14/2019 10:24 AM
3125 GROMACS Bug New Normal OpenCL on Volta and Turing borken 10/13/2019 11:46 PM GROMACS - 2020-beta2
3134 GROMACS Feature Feedback wanted Normal gmxapi Python exception names may need improvement Eric Irrgang 10/13/2019 01:50 PM
3133 GROMACS Task New Normal Cookiecutter for sample_restraint Eric Irrgang 10/13/2019 01:07 PM GROMACS - 2020
3111 GROMACS Bug New Low sample_restraint testing should not download files Eric Irrgang 10/13/2019 01:00 PM GROMACS - 2020-beta2
3132 GROMACS Task New Low gmxapi testing support tools 10/13/2019 01:00 PM
2899 GROMACS Task In Progress Normal Update testing matrix versions for GROMACS 2020 release Mark Abraham 10/12/2019 09:44 PM GROMACS - 2020-infrastructure-update-post-beta1
2915 GROMACS Feature New High GPU direct communications 10/11/2019 05:53 PM
3082 GROMACS Task New High move launch/synchronization points to clarify task dependencies 10/11/2019 05:53 PM GROMACS - 2020
3093 GROMACS Task New High rework GPU direct halo-exchange related force reduction complexities 10/11/2019 05:53 PM GROMACS - 2020
2817 GROMACS Feature In Progress High GPU X/F buffer ops 10/11/2019 11:55 AM GROMACS - 2020-beta2
3029 GROMACS Feature In Progress High GPU force buffer ops + reduction 10/11/2019 11:55 AM GROMACS - 2020-beta2
3128 GROMACS Task New High do not fall back to CPU path on energy-only steps Alan Gray 10/11/2019 11:55 AM GROMACS - 2020-beta2
3042 GROMACS Bug New Normal core dump error in grompp command 10/09/2019 07:30 PM
3127 GROMACS Bug New Normal mdrun-mpi-test -ntmpi 2 runs out of memory with OpenCL on Nvidia 10/09/2019 05:33 PM
3124 GROMACS Bug New Normal significant performance loss due to DLB auto-off when PP/PME load >1 10/09/2019 04:33 PM
2896 GROMACS Feature In Progress Normal Python packaging 10/09/2019 04:08 PM GROMACS - 2020
3126 GROMACS Feature New Normal State propagator GPU data manager 10/09/2019 02:42 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
2888 GROMACS Feature New Low CUDA Update and Constraints module Artem Zhmurov 10/08/2019 03:09 PM GROMACS - 2020
3114 GROMACS Task New Low Possible improvements to update-constraints Artem Zhmurov 10/07/2019 11:38 AM
3085 GROMACS Bug Fix uploaded High gromacs-toolchain.cmake file does not work on OS X 10/06/2019 04:59 PM GROMACS - 2020-beta2
3123 GROMACS Task New Normal address sanitizer coverage of parallelization code-paths 10/05/2019 12:32 AM
3116 GROMACS Bug New Normal regressiontests/freeenergy core dumps on ppc64le Paul Bauer 10/04/2019 10:52 PM
3119 GROMACS Task New Normal clang-tidy coverage of parallelizaton codepaths 10/04/2019 12:17 PM GROMACS - 2020
3118 GROMACS Task New Normal clang-tidy segfaulting in CI 10/04/2019 11:34 AM GROMACS - 2020-beta2
3117 GROMACS Feature New Normal Coulomb FEP PME on GPU Magnus Lundborg 10/04/2019 09:16 AM GROMACS - future
3115 GROMACS Feature New Normal Device stream manager 10/04/2019 09:00 AM
2054 GROMACS Feature Accepted High PME on GPU Aleksei Iupinov 10/03/2019 09:41 PM GROMACS - 2020
2961 GROMACS Feature New Normal How should Python package find GROMACS resources under various circumstances? 10/02/2019 02:06 PM
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