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# Project Tracker Status Priority Subject Assignee Updated Target version
3294 GROMACS Bug New Normal multiple tests fail on fedora 31 Paul Bauer 02/24/2020 05:26 PM GROMACS - 2020.1
3380 GROMACS Bug New Normal IBM VSX checks fail with gcc-10 Paul Bauer 02/24/2020 05:23 PM GROMACS - 2019.6
3388 GROMACS Bug Resolved Normal NMR restraints not working in modular simulator Pascal Merz 02/24/2020 05:15 PM GROMACS - 2020.1
3389 GROMACS Bug Fix uploaded Normal Catch need for t_graph in modular simulator more gracefully Pascal Merz 02/24/2020 05:14 PM GROMACS - 2020.1
3393 GROMACS Feature Resolved Normal Allow gmxapi.commandline_operation to use STDIN Eric Irrgang 02/24/2020 04:15 PM GROMACS - 2021-infrastructure-stable
3395 GROMACS Feature Feedback wanted Normal Consider scripted composition of Dockerfiles 02/24/2020 02:53 PM
3376 GROMACS Bug Resolved Normal gmxapi.commandline_operation is not helpful when an invalid executable is provided Eric Irrgang 02/24/2020 01:45 PM
3394 GROMACS Feature New Normal improve gmxapi error handling Eric Irrgang 02/24/2020 11:45 AM GROMACS - 2021-infrastructure-stable
3385 GROMACS Bug New Normal FindLibStdCpp.cmake - wrong sanity check for clang 02/24/2020 11:18 AM
3372 GROMACS Bug In Progress Normal Re-enable RVec and float3 compatibility tests Artem Zhmurov 02/22/2020 11:44 PM GROMACS - 2021-refactoring
3392 GROMACS Task New Low Unify box correction for modular simulator Pascal Merz 02/21/2020 11:23 PM GROMACS - 2021-infrastructure-stable
3370 GROMACS Task New High Further improvements to GPU Buffer Ops and Comms 02/21/2020 05:57 PM
3391 GROMACS Bug Fix uploaded Normal Integer overflow in dispersion correction 02/21/2020 03:48 PM GROMACS - 2020.1
2440 GROMACS Bug Accepted Normal Multidir simulations can stop at different times when using mdrun -maxh Berk Hess 02/21/2020 09:15 AM GROMACS - 2020.1
3387 GROMACS Bug New Normal Death test bug 02/20/2020 05:39 PM
3249 GROMACS Bug In Progress Low cmake bad tests for avx512 on AMD Erik Lindahl 02/20/2020 11:48 AM
3047 GROMACS Task Feedback wanted Normal Set required versions for GROMACS 2021 02/20/2020 11:42 AM
3382 GROMACS Task Accepted Normal Split up t_inputrec 02/17/2020 05:28 PM
3117 GROMACS Feature New Normal Coulomb FEP PME on GPU Magnus Lundborg 02/17/2020 03:58 PM GROMACS - 2021-infrastructure-stable
3374 GROMACS Feature New Normal SimulationInput abstraction 02/15/2020 01:03 PM GROMACS - 2021-refactoring
3379 GROMACS Feature New Normal C++ API for simulation input and output 02/15/2020 01:03 PM GROMACS - 2021-infrastructure-stable
2915 GROMACS Feature In Progress High GPU direct communications 02/14/2020 12:48 PM
3180 GROMACS Task New Normal Remove extra D2H and H2D copies of coordinates when the COM motion is compensated. Artem Zhmurov 02/14/2020 12:45 PM GROMACS - 2021-infrastructure-stable
3021 GROMACS Feature Feedback wanted Normal Completion of docs for GPU developments 02/14/2020 12:43 PM GROMACS - 2020.1
2890 GROMACS Feature In Progress Normal GPU Halo Exchange 02/14/2020 12:41 PM GROMACS - 2021
2891 GROMACS Feature In Progress Normal PME/PP GPU communications 02/14/2020 12:40 PM
2965 GROMACS Task In Progress Normal Performance of GPU direct communications 02/14/2020 12:38 PM GROMACS - 2021
3093 GROMACS Task In Progress High rework GPU direct halo-exchange related force reduction complexities 02/14/2020 11:35 AM GROMACS - 2021-infrastructure-stable
3159 GROMACS Bug Fix uploaded High eliminate regression due to moving gmx_pme_send_coordinates() Alan Gray 02/14/2020 11:31 AM GROMACS - 2020.1
3160 GROMACS Feature Fix uploaded High implement direct comm for different src/target memory spaces Alan Gray 02/14/2020 11:28 AM GROMACS - 2021-infrastructure-stable
3378 GROMACS Feature New Normal genion usage without stdin (facilitates use in gmx python api) 02/13/2020 12:04 PM
2675 GROMACS Task In Progress Normal bonded CUDA offload task 02/12/2020 05:54 PM GROMACS - 2021
3365 GROMACS Task New Normal consider making GPU bonded work independent from nonbonded 02/12/2020 05:54 PM
3355 GROMACS Feature Accepted Normal New PME parallel (GPU) scheme Jonathan Vincent 02/12/2020 11:58 AM
3114 GROMACS Feature New Normal Improve GPU update-constraints module Artem Zhmurov 02/10/2020 04:30 PM GROMACS - 2021
2601 GROMACS Feature New Normal Free energy calculations, soft-core potential Vytautas Gapsys 02/10/2020 11:29 AM GROMACS - future
3357 GROMACS Task New Normal Make sure "colvars" interoperates stably and smoothly with gromacs 02/07/2020 01:04 PM
1166 GROMACS Bug New Low g_order is incorrect for unsaturated carbons David van der Spoel 02/06/2020 02:32 PM GROMACS - future
3371 GROMACS Feature New Normal Control FEP using AWH Magnus Lundborg 02/06/2020 02:20 PM GROMACS - 2021
3369 GROMACS Feature New Normal Add quote about "the truth" 02/05/2020 05:08 PM
3368 GROMACS Bug New Normal Erroneous interplay between gmx rms command and atommass.dat: Can not find mass in database for atom MG in residue Vedat Durmaz 02/05/2020 04:51 PM GROMACS - future
2936 GROMACS Task New Normal introduce check that CPU-GPU transfers/assignments are made between compatible types 02/05/2020 03:57 PM GROMACS - 2021
3366 GROMACS Task New Normal Enforce compability of MdModules 02/03/2020 03:32 PM
3315 GROMACS Task In Progress Normal Platform agnostic DeviceContext Artem Zhmurov 02/01/2020 04:45 PM GROMACS - 2021-refactoring
3363 GROMACS Feature New Normal Improve FEP testing Pascal Merz 01/30/2020 05:06 AM GROMACS - 2021-infrastructure-stable
3362 GROMACS Feature New Normal gmx traj: add an option to plot each component in a separate file 01/29/2020 06:18 PM
3285 GROMACS Feature New Normal Run simulations from the same tpr file with different random seeds 01/29/2020 06:18 PM GROMACS - 2021
3356 GROMACS Task New Normal Expose setting of random seed to API 01/29/2020 06:16 PM GROMACS - 2021
3361 GROMACS Task New Normal Gitlab source archive contains files from build directory Paul Bauer 01/29/2020 05:28 PM GROMACS - 2020.1
3325 GROMACS Task New Normal Allow complete re-initialization of a simulation 01/29/2020 05:13 PM GROMACS - 2021-refactoring
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