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# Project Tracker Status Priority Subject Assignee Updated Target version
3442 GROMACS Bug Accepted Normal continuing mdrun with -deffnm and pulling does not work 03/15/2020 08:33 AM
3441 GROMACS Bug Resolved Normal Ewald surface-epsilon is incorrect Berk Hess 03/18/2020 11:15 PM GROMACS - 2020.2
3407 GROMACS Bug Closed Normal Slight underestimate of the pairlist buffer on Intel GPUs Berk Hess 03/03/2020 10:41 AM GROMACS - 2020.1
3406 GROMACS Bug Closed Normal #DOF for temperature coupling incorrect when some atoms are not part of a COM removal group Berk Hess 03/03/2020 10:41 AM GROMACS - 2020.1
3390 GROMACS Bug Closed Normal mdrun allows multidir runs that share the state to start/continue with different initial steps Berk Hess 02/24/2020 03:35 PM GROMACS - 2020.1
3382 GROMACS Task Accepted Normal Split up t_inputrec 02/17/2020 05:28 PM
3355 GROMACS Feature Accepted Normal New PME parallel (GPU) scheme Jonathan Vincent 02/12/2020 11:58 AM
3303 GROMACS Bug Closed Normal mdrun exits with an assertion failure when running with shells and GPU update Berk Hess 01/21/2020 09:43 AM GROMACS - 2020.1
3244 GROMACS Bug In Progress Normal center of mass motion removal with position restraints can lead to artifacts Berk Hess 12/27/2019 10:40 AM GROMACS - 2021
3230 GROMACS Bug Closed Normal mdrun-test -ntmpi 2 deadlock in calculateForces in density fitting Christian Blau 12/20/2019 08:17 AM GROMACS - 2020-rc1
3229 GROMACS Task New Normal Move checkpointing to the beginning of the MD step 01/16/2020 04:31 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 Closed Normal Implement multiple pulses with GPU communication Alan Gray 02/16/2020 09:15 PM GROMACS - future
3064 GROMACS Task New Normal add test for perturbed bonded forces 12/27/2019 04:22 PM GROMACS - 2021
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 12/27/2019 04:31 PM GROMACS - future
2979 GROMACS Task Closed Normal Reconsider default 1 OpenMP thread per thread-MPI rank Berk Hess 12/20/2019 08:24 AM 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
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