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# Project Tracker Status Priority Subject Assignee Updated Target version
2867 GROMACS Bug New High abnormal box fluctuations on GPUs still there Berk Hess 08/23/2019 09:23 AM
3064 GROMACS Task New Normal add test for perturbed bonded forces 08/22/2019 06:34 PM GROMACS - 2020
3061 GROMACS Task New Normal support for Zen2 08/22/2019 06:04 PM GROMACS - 2020-beta1
3055 GROMACS Bug Feedback wanted Normal Error in gmx xpm2ps 08/22/2019 03:27 PM
3063 GROMACS Bug Resolved Normal Long-distance bonded interaction issue with CUDA and domain decomposition Berk Hess 08/22/2019 03:21 PM GROMACS - 2019.4
3031 GROMACS Task New Normal evaluate the impact of particle order on PME 08/21/2019 06:08 PM GROMACS - 2020
2792 GROMACS Task New Normal Improvement of PME gather and spread CUDA kernels 08/21/2019 05:10 PM
2993 GROMACS Feature New Normal Scalar and structured type expression and definitions for API Eric Irrgang 08/21/2019 02:27 PM
2819 GROMACS Task Resolved Low figure out latest clang + native CUDA that works on our hardware Szilárd Páll 08/19/2019 10:00 PM GROMACS - 2020-infrastructure-stable
3062 GROMACS Task New Normal add twin cut-off mdrun test 08/19/2019 06:21 PM GROMACS - 2020
3056 GROMACS Bug Fix uploaded High Miscalculated LJ(SR) when running with GPU? Berk Hess 08/19/2019 05:56 PM GROMACS - 2019.4
3011 GROMACS Task New Normal misc upgrades of testing matrices 08/19/2019 04:22 PM GROMACS - 2020-infrastructure-update-post-beta1
3007 GROMACS Task Resolved Normal Install and update testing to add gcc-9 08/16/2019 09:15 PM GROMACS - 2020-infrastructure-stable
2915 GROMACS Feature New Normal GPU direct communications 08/16/2019 06:09 PM
3010 GROMACS Task In Progress Normal upgrade OpenCL stack on bs-gpu01 08/16/2019 03:33 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
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 08/16/2019 09:56 AM GROMACS - 2020-infrastructure-stable
3033 GROMACS Task In Progress Normal Clean up and modernize googletest bundling and usage 08/16/2019 09:54 AM GROMACS - 2020-infrastructure-stable
3027 GROMACS Task In Progress Normal Move sample_restraint development from GitHub to Gerrit Eric Irrgang 08/16/2019 09:52 AM GROMACS - 2020-beta1
2934 GROMACS Feature New Normal GPU X Buffer ops 08/14/2019 05:58 PM GROMACS - 2020
3059 GROMACS Task New Normal Enable GMXAPI=ON by default 08/14/2019 05:45 PM GROMACS - 2020-beta1
2817 GROMACS Feature In Progress Normal GPU X/F buffer ops 08/14/2019 05:32 PM GROMACS - 2020-beta1
3058 GROMACS Bug Feedback wanted Normal Error when using a large PME grid on a GPU 08/14/2019 01:35 PM
3020 GROMACS Feature New Low modernize DeviceBuffer and GPU memory management 08/13/2019 06:01 PM
3029 GROMACS Feature In Progress Normal GPU force buffer ops + reduction 08/12/2019 06:44 PM GROMACS - 2020-beta1
3057 GROMACS Task New Normal re-enable fusion on Power8/9 Szilárd Páll 08/12/2019 11:41 AM GROMACS - 2020
3049 GROMACS Bug New Low gmx nmeig should plot a real infrared spectrum David van der Spoel 08/10/2019 01:08 PM GROMACS - 2020-beta1
2888 GROMACS Feature New Normal CUDA Update and Constraints module Artem Zhmurov 08/08/2019 10:47 AM GROMACS - 2020
2887 GROMACS Feature New Normal CUDA version of Leap Frog algorithm Artem Zhmurov 08/08/2019 10:47 AM GROMACS - 2020
2927 GROMACS Bug Feedback wanted Low CMake 3.14.1 fails to properly run gmxDetectCpu.make 08/07/2019 06:30 PM GROMACS - 2019.4
2281 GROMACS Task In Progress Normal Represent data on regularly spaced N-dimensional grids. Christian Blau 08/06/2019 08:48 AM GROMACS - 2020
2976 GROMACS Task New Normal Basic math for Multidimensional arrays 08/04/2019 09:44 PM GROMACS - 2020
2107 GROMACS Task Accepted High Change to clang-format 08/02/2019 07:30 PM
3054 GROMACS Bug New Normal Missing dihedral define 08/02/2019 05:47 PM
2890 GROMACS Feature New Normal GPU Halo Exchange 08/01/2019 05:36 PM GROMACS - 2020
2816 GROMACS Feature New Normal Device-side update&constraits, buffer ops and multi-gpu comms Alan Gray 08/01/2019 05:26 PM GROMACS - 2020
3052 GROMACS Feature New Normal GPU virial reduction/calculation 08/01/2019 05:26 PM
3026 GROMACS Task New Normal add flags for GPU force buffer op / reduction activation 08/01/2019 04:46 PM GROMACS - 2020
2845 GROMACS Bug Resolved High critical box fluctuations when using GPUs 07/30/2019 03:06 PM
3042 GROMACS Bug New Normal core dump error in grompp command 07/30/2019 01:30 PM
2341 GROMACS Task New Low assess the state of building and using GROMACS on Windows 07/29/2019 11:09 PM GROMACS - future
3050 GROMACS Bug New Low Fix tests on Solaris Vedran Miletic 07/29/2019 12:38 PM GROMACS - 2020
3048 GROMACS Bug New Normal Dihedral parameters for N-terminal in gromos53a6 force field in the aminoacids.n.tdb file with different values in versions 4.6.7 and gromacs 2019/2016/5.1.5 07/29/2019 10:41 AM
3034 GROMACS Feature New Normal Python gmxapi exception hierarchy Eric Irrgang 07/25/2019 05:46 PM GROMACS - 2020
3041 GROMACS Task New Normal Remove workaround for gcc bug 58265 07/23/2019 12:27 PM
3047 GROMACS Task New Normal Set required versions for GROMACS 2021 07/23/2019 12:15 PM GROMACS - future
3045 GROMACS Feature New Low Option to remove v-sites in trjconv? 07/19/2019 04:42 PM
3016 GROMACS Task New Normal intermittent failure of essentialdynamics test 07/18/2019 05:23 PM
3040 GROMACS Task New Normal Refactor Restraint module 07/18/2019 03:59 PM
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