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# Project Tracker Status Priority Subject Assignee Updated Target version
3209 GROMACS Bug New Normal Interactive molecular dynamics with VMD becomes stuttering after reconnecting 11/19/2019 11:36 AM
3208 GROMACS Task New High improve PP-PME tuning 11/18/2019 09:39 PM GROMACS - 2020
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
3205 GROMACS Task New High address Debian experimental issues 11/18/2019 11:17 AM GROMACS - 2020-beta3
3204 GROMACS Bug Resolved Normal intermolecular interactions on OpenMPI multiple threads (gromacs 2019.4) Berk Hess 11/19/2019 12:30 PM GROMACS - 2019.5
3203 GROMACS Bug Fix uploaded Normal Segmentation fault using gmx solvent Paul Bauer 11/16/2019 06:27 PM GROMACS - 2019.5
3202 GROMACS Bug New Low gmx solvate fails to overwrite topology file 11/13/2019 02:44 PM
3201 GROMACS Task In Progress Normal Convert mdp parameters to key value tree 11/06/2019 06:06 PM
3200 GROMACS Bug Accepted Normal Segmentation Fault in gmx mdrun in gromacs 2020-beta1 and hwloc 2.0.2 Paul Bauer 11/17/2019 11:10 PM GROMACS - 2020-beta3
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
3195 GROMACS Task New High assess nightly master failures 11/01/2019 09:21 PM GROMACS - 2020-beta3
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
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
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
3186 GROMACS Task In Progress Normal Update Constant/Variable naming in the PME GPU kernels. 10/30/2019 11:23 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
3183 GROMACS Task Accepted Normal enable bonded interactions on GPU 10/31/2019 11:49 AM GROMACS - 2020-beta3
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
3178 GROMACS Bug Accepted Normal Fatal Error when launching mdrun on host with busy/unavailable GPU(s) Szilárd Páll 10/28/2019 10:38 PM GROMACS - 2019.5
3177 GROMACS Feature New Normal Spack package management support 11/06/2019 06:37 PM
3175 GROMACS Task Fix uploaded Normal update bundled pybind11 headers to v2.4.3 for Python 3.8 updates Eric Irrgang 10/25/2019 11:28 AM GROMACS - 2020-beta3
3174 GROMACS Task Feedback wanted Low Proposed gmxapi syntax update: "input" and "output" key word arguments -> "inputs" and "outputs" Eric Irrgang 10/23/2019 06:34 PM
3173 GROMACS Bug Resolved Normal Illegal memory access in free-energy calculations Berk Hess 10/23/2019 01:30 PM GROMACS - 2019.5
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
3170 GROMACS Task New Low investigate GPU f buffer ops use cases 10/22/2019 12:14 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
3164 GROMACS Bug In Progress High mdrun-mpi-test with separate PME ranks and PP-PME CPU comm crashes Alan Gray 11/14/2019 12:41 PM GROMACS - 2020-beta3
3163 GROMACS Bug New High gpuupdate / task assignment stabilization Artem Zhmurov 11/14/2019 06:01 PM GROMACS - 2020-beta3
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
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
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
3158 GROMACS Task In Progress Normal use MPI_Isend() in sendFToPpCudaDirect and receiveCoordinatesFromPpCudaDirect Alan Gray 11/07/2019 05:26 PM
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
3155 GROMACS Task Accepted Normal Unify DD and CPU-GPU gather & scatter Artem Zhmurov 10/17/2019 03:50 PM GROMACS - 2021-infrastructure-stable
3154 GROMACS Task New Low Update use of Python subprocess for >=3.5 10/17/2019 01:46 PM
3153 GROMACS Task New Low Let CMake process module directories earlier to support more modern CMake idioms. 10/17/2019 10:40 AM GROMACS - 2021-infrastructure-stable
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