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# Project Tracker Status Priority Subject Assignee Updated Target version
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
3229 GROMACS Task New Normal Move checkpointing to the beginning of the MD step 12/04/2019 07:41 PM GROMACS - 2021-infrastructure-stable
3201 GROMACS Task In Progress Normal Convert mdp parameters to key value tree 11/06/2019 06:06 PM
3173 GROMACS Bug Closed Normal Illegal memory access in free-energy calculations Berk Hess 11/20/2019 05:15 PM GROMACS - 2019.5
3155 GROMACS Task Accepted Normal Unify DD and CPU-GPU gather & scatter Artem Zhmurov 10/17/2019 03:50 PM GROMACS - 2021-infrastructure-stable
3151 GROMACS Bug Closed Normal integrator md-vv does not print at nstlog Pascal Merz 10/23/2019 09:16 AM GROMACS - 2020-beta2
3127 GROMACS Bug New Normal mdrun-mpi-test -ntmpi 2 runs out of memory with OpenCL on Nvidia 10/09/2019 05:33 PM
3120 GROMACS Bug Closed High Uninitialized energy and virial contributions with PME on GPU on PME-only rank 11/20/2019 05:15 PM GROMACS - 2019.5
3108 GROMACS Bug Closed High mdrun continuation no longer appends 09/27/2019 02:45 PM GROMACS - 2020-beta2
3106 GROMACS Task New Normal Implement multiple pulses with GPU communication Alan Gray 11/01/2019 11:05 AM GROMACS - future
3064 GROMACS Task New Normal add test for perturbed bonded forces 08/22/2019 06:34 PM GROMACS - 2020
3063 GROMACS Bug Closed Normal Long-distance bonded interaction issue with CUDA and domain decomposition Berk Hess 09/04/2019 02:05 PM GROMACS - 2019.4
2992 GROMACS Task New Normal Split hw_opt in const user options and dynamic settings 09/24/2019 03:23 PM GROMACS - 2020
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
2977 GROMACS Feature New Normal print DD load balancing improvement 06/13/2019 10:56 AM
2952 GROMACS Bug Closed Normal Reference SIMD fails with float SIMD width 16 Berk Hess 06/05/2019 10:07 AM GROMACS - 2019.3
2948 GROMACS Bug New Normal SIMD support detected as none on AMD R5 2500U 05/21/2019 12:58 PM
2933 GROMACS Task New Normal Convert walls to a ForceProvider 04/25/2019 02:43 PM
2884 GROMACS Bug Closed Normal GROMACS can not reproduce properties with the GROMOS force fields 08/24/2019 09:05 PM
2881 GROMACS Bug Closed Normal mdrun -nsteps option does not work correctly Berk Hess 04/16/2019 09:18 AM GROMACS - 2019.2
2879 GROMACS Bug Closed High Virial and pressure completely incorrect with SHAKE Mark Abraham 05/27/2019 02:44 PM GROMACS - 2018.7
2875 GROMACS Task Accepted Normal SIMD version of the free-energy kernel Berk Hess 12/02/2019 01:44 PM GROMACS - 2021-infrastructure-stable
2823 GROMACS Bug Closed Normal mdrun issues note about input not supporting a GPU with a non-GPU build Mark Abraham 02/15/2019 01:00 PM GROMACS - 2019.1
2822 GROMACS Task Accepted Normal Make nbnxn a module Berk Hess 01/03/2019 03:07 PM GROMACS - 2020
2812 GROMACS Bug Closed Normal Incorrect error with mdrun -nb gpu without GPU build 12/28/2018 12:33 PM GROMACS - 2019
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