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# Project Tracker Status Priority Subject Assignee Updated Target version
2831 GROMACS Task New Normal Bump required version numbers of infrastructure for 2020 Mark Abraham 08/23/2019 03:24 PM GROMACS - 2020-infrastructure-update-post-beta1
2756 GROMACS Task In Progress Normal gmxapi integration testing 08/16/2019 09:56 AM GROMACS - 2020-infrastructure-update-post-beta1
2899 GROMACS Task In Progress Normal Update testing matrix versions for GROMACS 2020 release Mark Abraham 10/12/2019 09:44 PM GROMACS - 2020-infrastructure-update-post-beta1
2998 GROMACS Task In Progress Normal Update Python detection 08/16/2019 09:57 AM GROMACS - 2020-infrastructure-update-post-beta1
3010 GROMACS Task In Progress Normal upgrade OpenCL stack on bs-gpu01 08/23/2019 03:23 PM GROMACS - 2020-infrastructure-update-post-beta1
2958 GROMACS Bug New Normal Compiling master (to become 2020) using CUDA 9.0 10/14/2019 09:15 PM GROMACS - 2020-beta2
2967 GROMACS Feature New Normal GPU reallocateDeviceBuffer improvements 09/24/2019 06:52 PM GROMACS - 2020-beta2
2990 GROMACS Bug New Normal ARM neon SIMD4 error 09/24/2019 03:25 PM GROMACS - 2020-beta2
3017 GROMACS Bug New Normal ddBalanceRegionHandler triggers need fixing 09/24/2019 03:25 PM GROMACS - 2020-beta2
3097 GROMACS Bug New Normal nbnxm grid issue with regressiontest complex/nbnxn_rzero with gpubufferops path 09/24/2019 03:26 PM GROMACS - 2020-beta2
3118 GROMACS Task New Normal clang-tidy segfaulting in CI 10/04/2019 11:34 AM GROMACS - 2020-beta2
3125 GROMACS Bug New Normal OpenCL on Volta and Turing borken 10/13/2019 11:46 PM GROMACS - 2020-beta2
3128 GROMACS Task New High do not fall back to CPU path on energy-only steps Alan Gray 10/11/2019 11:55 AM GROMACS - 2020-beta2
3130 GROMACS Task New Normal Interim handling of gmxapi data references. Eric Irrgang 10/15/2019 09:07 AM GROMACS - 2020-beta2
3136 GROMACS Bug New Normal gmxapi.operation data flow topology unclear or incomplete Eric Irrgang 10/14/2019 08:16 PM GROMACS - 2020-beta2
3142 GROMACS Feature New High centralize and clarify GPU force buffer clearing 10/14/2019 04:56 PM GROMACS - 2020-beta2
3144 GROMACS Bug New Normal gmxapi.mdrun does not clearly expose the output trajectory. Eric Irrgang 10/14/2019 06:55 PM GROMACS - 2020-beta2
2737 GROMACS Bug Accepted Low AMD OpenCl failes release build in complex tests Szilárd Páll 10/14/2019 09:16 PM GROMACS - 2020-beta2
2979 GROMACS Task Accepted Normal Reconsider default 1 OpenMP thread per thread-MPI rank Berk Hess 09/24/2019 03:22 PM GROMACS - 2020-beta2
2817 GROMACS Feature In Progress High GPU X/F buffer ops 10/11/2019 11:55 AM GROMACS - 2020-beta2
3027 GROMACS Task In Progress Normal Move sample_restraint development from GitHub to Gerrit Eric Irrgang 09/24/2019 03:23 PM GROMACS - 2020-beta2
3029 GROMACS Feature In Progress High GPU force buffer ops + reduction 10/11/2019 11:55 AM GROMACS - 2020-beta2
3100 GROMACS Bug In Progress Normal crash with GPU comm DD 09/27/2019 01:28 PM GROMACS - 2020-beta2
3151 GROMACS Bug In Progress Normal integrator md-vv does not print at nstlog Pascal Merz 10/17/2019 02:23 AM GROMACS - 2020-beta2
3085 GROMACS Bug Fix uploaded High gromacs-toolchain.cmake file does not work on OS X 10/06/2019 04:59 PM GROMACS - 2020-beta2
3111 GROMACS Bug Fix uploaded Low sample_restraint testing should not download files Eric Irrgang 10/16/2019 06:00 PM GROMACS - 2020-beta2
3061 GROMACS Task Resolved Normal support for Zen2 10/17/2019 03:32 PM GROMACS - 2020-beta2
2722 GROMACS Bug New Normal gmxapi may over-manage RPATH Mark Abraham 10/16/2019 10:28 AM GROMACS - 2020-beta3
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
2974 GROMACS Bug New Normal position-restraints regressiontest fails on intel GPU 10/01/2019 11:12 AM GROMACS - 2019.5
3120 GROMACS Bug Resolved High Uninitialized energy and virial contributions with PME on GPU on PME-only rank 10/09/2019 11:15 AM GROMACS - 2019.5
2927 GROMACS Bug Feedback wanted Low CMake 3.14.1 fails to properly run gmxDetectCpu.make 10/01/2019 11:13 AM GROMACS - 2019.5
1587 GROMACS Task New Normal improve the configurability of regression tests 01/18/2019 06:17 AM GROMACS - 2020
2053 GROMACS Task New Normal refine notation in GPU code 09/04/2019 01:47 PM GROMACS - 2020
2169 GROMACS Task New Normal remove 'continuation' mdp option 10/12/2018 10:36 PM GROMACS - 2020
2224 GROMACS Feature New Normal Proposed feature: conditional stop Vedran Miletic 09/19/2018 03:06 PM GROMACS - 2020
2353 GROMACS Task New Normal improve on relative tolerance for constructing tables 10/30/2018 04:17 AM GROMACS - 2020
2396 GROMACS Task New Normal Refactor trajectoryanalysis module to allow handling of trajectory frame manipulation Paul Bauer 10/08/2018 07:29 PM GROMACS - 2020
2425 GROMACS Task New Normal testing multisim with multiple ranks per simulation Mark Abraham 11/29/2018 11:20 AM GROMACS - 2020
2475 GROMACS Task New Normal make OpenCL 1st class-citizen in the build system 10/30/2018 12:01 PM GROMACS - 2020
2480 GROMACS Bug New Normal pdb2gmx does not protonate correctly for united-atom Gromos Mark Abraham 12/17/2018 01:27 PM GROMACS - 2020
2481 GROMACS Task New Low Update gmx report-methods to write more method information 09/20/2018 07:43 AM GROMACS - 2020
2495 GROMACS Task New Normal replace -noconfout with mdp option Mark Abraham 10/12/2018 10:34 PM GROMACS - 2020
2498 GROMACS Task New Normal OpenCL memory pinning/mapping 10/30/2018 12:07 PM GROMACS - 2020
2518 GROMACS Task New Normal redesign task-assignment code for OpenCL 12/28/2018 12:38 PM GROMACS - 2020
2522 GROMACS Task New Normal OpenCL context duplication 10/30/2018 12:07 PM GROMACS - 2020
2524 GROMACS Task New Normal struct alignment/packing for OpenCL host & device code 10/30/2018 12:06 PM GROMACS - 2020
2537 GROMACS Task New Normal Simplify PME solve reduction Aleksei Iupinov 10/30/2018 12:08 PM GROMACS - 2020
2660 GROMACS Task New Low rework OpenCL nbnxn kernel constants Szilárd Páll 10/30/2018 12:10 PM GROMACS - 2020
2667 GROMACS Feature New Normal Suggested steps for calculating entropy in solution and binding David van der Spoel 10/30/2018 02:06 PM GROMACS - 2020
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