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# Project Tracker Status Priority Subject Assignee Updated Target version
3211 GROMACS Bug New High Lincs on GPU can fail due to incorrect assumptions on ordering Artem Zhmurov 11/21/2019 01:50 PM GROMACS - 2020-beta3
3208 GROMACS Task New High improve PP-PME tuning 11/22/2019 03:13 PM GROMACS - 2020
3205 GROMACS Task New High address Debian experimental issues 11/18/2019 11:17 AM GROMACS - 2020-beta3
3195 GROMACS Task New High assess nightly master failures 11/01/2019 09:21 PM GROMACS - 2020-beta3
3189 GROMACS Task New High implement heuristics for switching between different spread/gather kernel layouts Jonathan Vincent 11/16/2019 08:50 PM GROMACS - 2020-beta3
3163 GROMACS Bug New High gpuupdate / task assignment stabilization Artem Zhmurov 11/14/2019 06:01 PM GROMACS - 2020-beta3
3082 GROMACS Task New High move launch/synchronization points to clarify task dependencies 10/11/2019 05:53 PM GROMACS - 2020
2935 Support Platforms Bug New High redmine issue updates about gerrit uploads stopped working 06/11/2019 01:42 PM Support Platforms - current
2915 GROMACS Feature New High GPU direct communications 10/24/2019 10:59 AM
2891 GROMACS Feature New High PME/PP GPU communications 11/01/2019 06:56 PM
2890 GROMACS Feature New High GPU Halo Exchange 10/17/2019 02:00 PM GROMACS - 2020
2888 GROMACS Feature New High CUDA Update and Constraints module Artem Zhmurov 10/21/2019 03:59 PM GROMACS - 2020
2816 GROMACS Feature New High GPU offload / optimization for update&constraits, buffer ops and multi-gpu communication Alan Gray 11/20/2019 05:15 PM GROMACS - 2020
2792 GROMACS Task New High Improvement of PME gather and spread CUDA kernels 10/30/2019 01:29 PM
2637 GROMACS Bug New High gmx solvate tears apart molecules 09/11/2018 07:43 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
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
2519 GROMACS Task New High Improve/remove PME OpenCL kernel barriers 02/15/2019 06:34 PM
2229 GROMACS Feature New High Full Object Oriented Modularization of GROMACS MDRUN Codebase Mark Abraham 08/22/2018 05:03 PM GROMACS - future
2099 Support Platforms Feature New High sharing accounts/credentials 12/06/2017 08:11 PM
3213 GROMACS Bug New Normal Having a local residuetypes.dat for custom force field 11/21/2019 09:18 PM
3212 GROMACS Task New Normal Update regression tests for new kernel flavours 11/21/2019 11:50 AM
3210 GROMACS Bug New Normal rerun does not reproduce dVcoul/dl 11/20/2019 04:52 PM
3209 GROMACS Bug New Normal Interactive molecular dynamics with VMD becomes stuttering after reconnecting 11/19/2019 11:36 AM
3207 GROMACS Task New Normal Ad cycle counting to StatePropagatorDataGpu 11/18/2019 06:04 PM
3206 GROMACS Bug New Normal 2 not-critical bugs in analyse tool 11/15/2019 03:53 PM GROMACS - 2019.5
3198 GROMACS Bug New Normal Fails to build on FreeBSD with Clang since f7940fa01e8b6ef0703236b53721cca2d81b40d3 Use gmock and gtest targets from googletest-release-1.8.0 11/06/2019 12:20 PM
3197 GROMACS Bug New Normal Rework usage of gitattributes and filter in source code formatting scripts 11/04/2019 12:50 PM GROMACS - 2021-infrastructure-stable
3196 GROMACS Bug New Normal ExponentialMovingAverage.DeterminesCorrectlyIfIncreasing failing 11/01/2019 11:28 PM
3194 GROMACS Task New Normal consider passing GPU dependency list to both dependency producers and consumers 11/01/2019 07:10 PM
3193 GROMACS Bug New Normal Ununsed parameter warnings in pme code Paul Bauer 11/01/2019 09:40 AM GROMACS - 2020-beta3
3188 GROMACS Task New Normal re-enalble parallel spline calculation for #threads/atoms > 4 11/03/2019 09:18 PM GROMACS - 2020
3187 GROMACS Task New Normal Template updated PME kernels using threads per atom 10/30/2019 11:33 AM
3185 GROMACS Task New Normal Update PME CUDA kernels to allow a different number of threads per atom in the gather and spread kernels. 10/30/2019 11:18 AM
3182 GROMACS Bug New Normal pressure coupling buggy with GPU update 10/28/2019 11:34 PM
3181 GROMACS Task New Normal consolidate task assignment and workload data initialization 10/28/2019 02:53 PM
3180 GROMACS Task New Normal Remove extra D2H and H2D copies of coordinates when the COM motion is compensated. Artem Zhmurov 11/14/2019 05:48 PM
3179 GROMACS Feature New Normal Clarify access to parallel data outputs Eric Irrgang 10/26/2019 12:23 PM
3177 GROMACS Feature New Normal Spack package management support 11/06/2019 06:37 PM
3172 GROMACS Feature New Normal QM/MM Interface with CP2K Dmitry Morozov 10/22/2019 12:35 PM GROMACS - future
3171 GROMACS Task New Normal schedule CPU H2D force contribution in separate stream 10/22/2019 12:19 AM GROMACS - 2020
3168 GROMACS Feature New Normal GPU update release notes 11/14/2019 06:03 PM GROMACS - 2020-rc1
3167 GROMACS Task New Normal GPU update path user documentation 10/21/2019 04:09 PM GROMACS - 2020-beta3
3166 GROMACS Bug New Normal Compilation failing on Ubuntu 19.04 with Cuda 10.1 10/19/2019 09:13 PM
3165 GROMACS Bug New Normal task assignment silent abort 10/18/2019 07:46 PM
3162 GROMACS Feature New Normal Add virtual site support to GPU version of update-constraints. 10/21/2019 03:59 PM
3161 GROMACS Bug New Normal mdrun-test hangs with -ntmpi2 10/17/2019 05:34 PM GROMACS - 2020
3157 GROMACS Task New Normal separate PME x receive sync Alan Gray 10/17/2019 02:44 PM
3156 GROMACS Task New Normal move ddUsesGpuDirectCommunication and related conditionals into the workload data structures Alan Gray 10/17/2019 02:00 PM GROMACS - 2020-beta3
3150 GROMACS Bug New Normal gmxapi data type annotations are confusing and inadequate Eric Irrgang 10/22/2019 03:08 PM GROMACS - 2021-infrastructure-stable
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