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# Project Tracker Status Priority Subject Assignee Updated Target version
3102 GROMACS Bug New Normal -multidir issue with OpenMP and 2 replicas 09/23/2019 05:42 PM
3100 GROMACS Bug Resolved Normal crash with GPU comm DD 09/23/2019 04:02 PM GROMACS - 2020-beta1
2867 GROMACS Bug Fix uploaded High abnormal box fluctuations on GPUs still there Berk Hess 09/23/2019 02:50 PM GROMACS - 2019.4
3061 GROMACS Task Blocked, need info Normal support for Zen2 09/23/2019 11:35 AM GROMACS - 2020-beta1
2845 GROMACS Bug Resolved High critical box fluctuations when using GPUs 09/22/2019 12:20 PM GROMACS - 2019.4
3101 GROMACS Bug New Normal detect compilation failed 09/20/2019 05:38 PM
3099 GROMACS Bug Fix uploaded Normal compiler flags missing from the log report Mark Abraham 09/20/2019 01:25 PM GROMACS - 2020-beta1
2971 GROMACS Task In Progress Normal Rework TPR reading to allow reading of raw bytes from disk and communication of complete information at setup time Paul Bauer 09/20/2019 01:06 PM GROMACS - 2020-beta2
3077 GROMACS Task New Normal PME/PP GPU Comms unique pointer deletion causes seg fault when CUDA calls exist in destructor 09/20/2019 01:04 PM
2891 GROMACS Feature New Normal PME/PP GPU communications 09/20/2019 01:08 AM
3098 GROMACS Bug New Normal Performing input record record check and rectivication also in tests. Christian Blau 09/19/2019 03:41 PM GROMACS - 2020-beta1
2888 GROMACS Feature New Normal CUDA Update and Constraints module Artem Zhmurov 09/19/2019 02:13 PM GROMACS - 2020
3095 GROMACS Bug New High segfault in t_vcm initialization 09/19/2019 12:19 PM GROMACS - 2020-beta1
3097 GROMACS Bug New Normal nbnxm grid issue with regressiontest complex/nbnxn_rzero with gpubufferops path 09/18/2019 05:34 PM GROMACS - 2020-beta1
3096 GROMACS Task New Normal Multiple time-stepping: correct coupling algorithms, virial calculation and energy output Christian Blau 09/18/2019 02:18 PM GROMACS - 2021-infrastructure-stable
3093 GROMACS Task New Normal rework GPU direct halo-ecxhange related force reduction complexities 09/18/2019 12:39 PM GROMACS - 2020
3094 GROMACS Bug New High gmx wham doesn't compute profile.xvg with dihedral angle 09/18/2019 11:41 AM GROMACS - 2019.4
3092 GROMACS Task New Normal implement better receiver ready / notify in halo exchange 09/18/2019 02:47 AM GROMACS - 2020
3084 GROMACS Bug New Normal gmx report-methods test unstable Paul Bauer 09/17/2019 11:04 AM GROMACS - 2020-beta2
2451 GROMACS Feature Resolved Normal Linear virtual sites with fixed distance David van der Spoel 09/16/2019 01:15 PM
3089 GROMACS Feature New Normal relax dlb scaling limit when that would suit GPU halo exchange Berk Hess 09/15/2019 08:21 PM GROMACS - 2020-beta2
3088 GROMACS Bug New Normal Reference to theory needed for cylindrical pull geometry 09/13/2019 11:26 AM
3087 GROMACS Feature New Normal enable GPU peer to peer access 09/12/2019 04:24 PM GROMACS - 2020
2792 GROMACS Task New Normal Improvement of PME gather and spread CUDA kernels 09/12/2019 12:23 PM
3086 GROMACS Bug New Normal gmxapi fails with MPI build of GROMACS 2020 09/12/2019 11:28 AM
3085 GROMACS Bug New High gromacs-toolchain.cmake file does not work on OS X 09/12/2019 11:18 AM GROMACS - 2020-beta1
3083 GROMACS Bug New Normal Listed forces tests failing on ICC19 with AVX2_256 nightly build 09/10/2019 11:56 AM
3082 GROMACS Task New Normal move launch/synchronization points to clarify task dependencies 09/09/2019 06:12 PM GROMACS - 2020
2992 GROMACS Task New Normal Split hw_opt in const user options and dynamic settings 09/09/2019 05:57 PM GROMACS - 2020-beta1
3080 GROMACS Task New Normal add 32-bit deprecation note 09/09/2019 01:32 PM GROMACS - 2020-beta1
3049 GROMACS Bug New Low gmx nmeig should plot a real infrared spectrum David van der Spoel 09/06/2019 03:40 PM GROMACS - 2020-beta1
2990 GROMACS Bug New Normal ARM neon SIMD4 error 09/06/2019 02:49 PM GROMACS - 2020-beta1
2999 GROMACS Task New Normal Move all logging in core library and tools to use MDLogger 09/06/2019 02:36 PM GROMACS - 2021-infrastructure-stable
2916 GROMACS Task New Normal Decide future of symtab Paul Bauer 09/06/2019 02:35 PM GROMACS - 2021-infrastructure-stable
3013 GROMACS Task New Normal Extend logging levels in MDLogger 09/06/2019 02:34 PM GROMACS - 2021-infrastructure-stable
3015 GROMACS Task New Normal Create central log handle for calls to gmx_fatal 09/06/2019 02:34 PM GROMACS - 2021-infrastructure-stable
3035 GROMACS Task New Normal Provide central logger in wrapper binary Paul Bauer 09/06/2019 02:34 PM GROMACS - 2021-infrastructure-stable
2958 GROMACS Bug New Normal Compiling master (to become 2020) using CUDA 9.0 09/06/2019 02:26 PM GROMACS - 2020-beta1
3078 GROMACS Task New Normal Allow MD modules to register energy output fields themselves 09/06/2019 11:36 AM
3076 GROMACS Task New Normal Selectively activate MdModules during simulation instead of instantiating all of them Christian Blau 09/05/2019 11:36 AM GROMACS - 2021-infrastructure-stable
3075 GROMACS Bug New Normal Frozen atoms are moving 09/04/2019 08:00 PM
3074 GROMACS Bug New Normal box volume is affected by decoupled molecule when using couple-moltype mdp option 09/04/2019 07:28 PM
3058 GROMACS Bug Feedback wanted Normal Error when using a large PME grid on a GPU 09/04/2019 07:26 PM
3073 GROMACS Bug New Normal Total potential energy goes crazy, but I don't know why this happens. 09/04/2019 07:25 PM
3011 GROMACS Task Resolved Normal misc upgrades of testing matrices 09/04/2019 05:40 PM GROMACS - 2020-infrastructure-update-post-beta1
2899 GROMACS Task In Progress Normal Update testing matrix versions for GROMACS 2020 release Mark Abraham 09/04/2019 05:39 PM GROMACS - 2020-infrastructure-update-post-beta1
2053 GROMACS Task New Normal refine notation in GPU code 09/04/2019 01:47 PM GROMACS - 2020
3072 GROMACS Task New Normal Use gmx::index for indexing instead of int Christian Blau 09/03/2019 04:23 PM GROMACS - 2021-infrastructure-stable
3071 GROMACS Bug Accepted Normal complex.nbnxn-ljpme-LB-geometric failing with OpenCL timing debug mode assertions Szilárd Páll 09/02/2019 10:19 PM GROMACS - 2020
687 Support Platforms Feature New Normal Add content on the front page 09/02/2019 01:08 PM
3070 GROMACS Bug New Normal make_ndx not recognizing different chains 09/02/2019 11:11 AM
3069 GROMACS Feature New Low Iterator over span and indices into this span (zip-style iterator) Christian Blau 08/29/2019 11:11 AM GROMACS - future
988 GROMACS Task New Normal Definition of "public API" 08/28/2019 02:50 PM GROMACS - future
742 GROMACS Feature New Normal Enhancing the performance of the free energy code 08/26/2019 04:55 PM GROMACS - future
1500 GROMACS Feature New Normal Post-5.0 feature clean-up plan Mark Abraham 08/26/2019 03:47 PM
1665 GROMACS Feature New Normal improve free energy non-bonded kernel performance 08/26/2019 03:47 PM GROMACS - future
2875 GROMACS Task Accepted Normal SIMD version of the free-energy kernel Berk Hess 08/26/2019 03:47 PM GROMACS - 2020
3068 GROMACS Bug New Normal Misleading warning on rerun 08/26/2019 03:44 PM
3066 GROMACS Bug New Normal Gauss transform and density fit classes should operate on real values instead of float Christian Blau 08/26/2019 11:53 AM
3047 GROMACS Task New Normal Set required versions for GROMACS 2021 08/24/2019 05:25 PM GROMACS - 2021-infrastructure-stable
3033 GROMACS Task In Progress Normal Clean up and modernize googletest bundling and usage 08/24/2019 05:23 PM GROMACS - 2021-infrastructure-stable
2905 GROMACS Task New Normal Add a Jenkins configuration with std library assert 08/24/2019 05:22 PM
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
3010 GROMACS Task In Progress Normal upgrade OpenCL stack on bs-gpu01 08/23/2019 03:23 PM GROMACS - 2020-infrastructure-update-post-beta1
3064 GROMACS Task New Normal add test for perturbed bonded forces 08/22/2019 06:34 PM GROMACS - 2020
3055 GROMACS Bug Feedback wanted Normal Error in gmx xpm2ps 08/22/2019 03:27 PM
3031 GROMACS Task New Normal evaluate the impact of particle order on PME 08/21/2019 06:08 PM GROMACS - 2020
2993 GROMACS Feature New Normal Scalar and structured type expression and definitions for API Eric Irrgang 08/21/2019 02:27 PM
3062 GROMACS Task New Normal add twin cut-off mdrun test 08/19/2019 06:21 PM GROMACS - 2020
2915 GROMACS Feature New Normal GPU direct communications 08/16/2019 06:09 PM
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
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
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
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
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
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
3038 GROMACS Feature New Normal Improvements to MD plugin development environment Eric Irrgang 07/17/2019 02:15 PM GROMACS - 2020
3037 GROMACS Task New Normal add missing cylcle counters related to buffer ops/reduction launches 07/16/2019 06:29 PM GROMACS - 2020-beta1
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