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# Project Tracker Status Priority Subject Assignee Updated Target version
3056 GROMACS Bug Fix uploaded High Miscalculated LJ(SR) when running with GPU? Berk Hess 08/19/2019 05:56 PM GROMACS - 2019.4
2935 Support Platforms Bug New High redmine issue updates about gerrit uploads stopped working 06/11/2019 01:42 PM Support Platforms - current
2867 GROMACS Bug New High abnormal box fluctuations on GPUs still there Berk Hess 08/20/2019 12:46 PM
2845 GROMACS Bug Resolved High critical box fluctuations when using GPUs 07/30/2019 03:06 PM
2637 GROMACS Bug New High gmx solvate tears apart molecules 09/11/2018 07:43 PM
2600 GROMACS Bug New High coul-lambdas turns off all coulombic interactions in system instead of the molecule specificed in the couple-moltype 08/07/2018 06:50 PM
2580 GROMACS Bug Feedback wanted High sc-coul option yields different free energy estimate on a ligand with zero partial charge 09/11/2018 08:10 AM
2573 GROMACS Bug New High Different mdp files describing the same change yield different free energy on the same trajectory 07/19/2018 06:52 PM
2519 GROMACS Task New High Improve/remove PME OpenCL kernel barriers 02/15/2019 06:34 PM
2453 GROMACS Task Resolved High PME OpenCL porting effort Aleksei Iupinov 06/05/2019 05:32 PM GROMACS - 2020
2229 GROMACS Feature New High Full Object Oriented Modularization of GROMACS MDRUN Codebase Mark Abraham 08/22/2018 05:03 PM GROMACS - future
2188 TNG trajectory library Feature Resolved High Masses missing from TNG specification Magnus Lundborg 06/13/2017 05:08 PM
2107 GROMACS Task Accepted High Change to clang-format 08/02/2019 07:30 PM
2099 Support Platforms Feature New High sharing accounts/credentials 12/06/2017 08:11 PM
2071 GROMACS Task In Progress High Low accuracy default settings yield incorrect liquid densities Berk Hess 01/05/2018 03:32 PM
2054 GROMACS Feature Accepted High PME on GPU Aleksei Iupinov 06/05/2019 05:32 PM GROMACS - 2020
3063 GROMACS Bug Fix uploaded Normal Long-distance bonded interaction issue with CUDA and domain decomposition Berk Hess 08/20/2019 08:58 AM GROMACS - 2019.4
3062 GROMACS Task New Normal add twin cut-off mdrun test 08/19/2019 06:21 PM GROMACS - 2020
3061 GROMACS Task New Normal support for Zen2 08/20/2019 02:27 AM GROMACS - 2020-beta1
3060 GROMACS Bug Resolved Normal Internal parameter storage for IMDModules causes segfault for thread and real MPI Christian Blau 08/17/2019 05:30 PM GROMACS - 2020-infrastructure-stable
3059 GROMACS Task New Normal Enable GMXAPI=ON by default 08/14/2019 05:45 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
3057 GROMACS Task New Normal re-enable fusion on Power8/9 Szilárd Páll 08/12/2019 11:41 AM GROMACS - 2020
3055 GROMACS Bug New Normal Error in gmx xpm2ps 08/09/2019 03:58 PM
3054 GROMACS Bug New Normal Missing dihedral define 08/02/2019 05:47 PM
3052 GROMACS Feature New Normal GPU virial reduction/calculation 08/01/2019 05:26 PM
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
3047 GROMACS Task New Normal Set required versions for GROMACS 2021 07/23/2019 12:15 PM GROMACS - future
3042 GROMACS Bug New Normal core dump error in grompp command 07/30/2019 01:30 PM
3041 GROMACS Task New Normal Remove workaround for gcc bug 58265 07/23/2019 12:27 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
3036 GROMACS Task New Normal Allow logger streams to be exchanged after creation of a logger Paul Bauer 07/12/2019 02:40 PM GROMACS - 2020-beta1
3035 GROMACS Task New Normal Provide central logger in wrapper binary Paul Bauer 07/12/2019 02:38 PM GROMACS - 2020-beta1
3034 GROMACS Feature New Normal Python gmxapi exception hierarchy Eric Irrgang 07/25/2019 05:46 PM GROMACS - 2020
3033 GROMACS Task In Progress Normal Clean up and modernize googletest bundling and usage 08/16/2019 09:54 AM GROMACS - 2020-infrastructure-stable
3032 GROMACS Feature New Normal Clean up dev-manual structure 07/11/2019 11:48 AM GROMACS - 2020
3031 GROMACS Task New Normal evaluate the impact of particle order on PME 07/15/2019 06:54 PM GROMACS - 2020
3030 GROMACS Feature New Normal RST style guidelines 07/09/2019 03:38 PM
3029 GROMACS Feature In Progress Normal GPU force buffer ops + reduction 08/12/2019 06:44 PM GROMACS - 2020-beta1
3028 GROMACS Bug Feedback wanted Normal install fail on Centos 6 07/15/2019 12:32 PM
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
3026 GROMACS Task New Normal add flags for GPU force buffer op / reduction activation 08/01/2019 04:46 PM GROMACS - 2020
3024 GROMACS Bug New Normal Bad logic for Sphinx detection CMake output 07/05/2019 05:44 PM GROMACS - 2020
3023 GROMACS Bug Resolved Normal Segmentation Fault when using pull-group1-pbcatom = -1 option 07/29/2019 03:00 PM
3022 GROMACS Feature New Normal modernized naming for new GPU developments 07/04/2019 10:48 AM GROMACS - 2020
3021 GROMACS Feature New Normal Completion of docs for GPU developments 07/04/2019 10:45 AM GROMACS - 2020
3017 GROMACS Bug New Normal ddBalanceRegionHandler triggers need fixing 06/28/2019 05:32 PM GROMACS - 2020-beta1
3016 GROMACS Task New Normal intermittent failure of essentialdynamics test 07/18/2019 05:23 PM
3015 GROMACS Task New Normal Create central log handle for calls to gmx_fatal 06/28/2019 04:24 PM GROMACS - 2020-beta1
3014 GROMACS Task New Normal gmxapi example Python scripts 06/28/2019 11:07 AM GROMACS - 2020
3013 GROMACS Task New Normal Extend logging levels in MDLogger 06/28/2019 08:23 AM GROMACS - 2020-beta1
3011 GROMACS Task New Normal misc upgrades of testing matrices 08/19/2019 04:22 PM GROMACS - 2020-infrastructure-update-post-beta1
3010 GROMACS Task In Progress Normal upgrade OpenCL stack on bs-gpu01 08/16/2019 03:33 PM GROMACS - 2020-infrastructure-update-post-beta1
3008 GROMACS Task New Normal verify block size choice of CUDA bonded kernel 06/26/2019 08:38 PM GROMACS - 2020
3007 GROMACS Task Resolved Normal Install and update testing to add gcc-9 08/16/2019 09:15 PM GROMACS - 2020-infrastructure-stable
3005 GROMACS Task New Normal Move logging in gmx preprocess to MDLogger 06/26/2019 10:01 AM
3004 GROMACS Task New Normal Move trajectory analysis logging to MDLogger 06/26/2019 09:59 AM
3003 GROMACS Task New Normal implement heuristic fallback to CPU when there is too little work for GPU offload 06/25/2019 04:10 PM
3002 GROMACS Task New Normal consider splitting bonded work into local/nonlocal 06/25/2019 04:06 PM
3001 GROMACS Task New Normal explore simplifying virial and shift force reduction 06/25/2019 04:03 PM GROMACS - 2020
3000 GROMACS Bug New Normal CMake "webpage" target does not fail when it should 06/25/2019 02:43 PM
2999 GROMACS Task New Normal Move all logging in core library and tools to use MDLogger 06/25/2019 01:43 PM GROMACS - 2020-beta1
2998 GROMACS Task In Progress Normal Update Python detection 08/16/2019 09:57 AM GROMACS - 2020-infrastructure-update-post-beta1
2997 GROMACS Task New Normal improve performance of alchemical free energy calculations 06/24/2019 03:07 PM GROMACS - 2020
2996 GROMACS Feature New Normal gmxapi execution model Eric Irrgang 06/24/2019 02:16 PM GROMACS - 2020
2994 GROMACS Feature New Normal Data flow topology in gmxapi 2020 06/24/2019 01:53 PM GROMACS - 2020
2993 GROMACS Feature New Normal Scalar and structured type expression and definitions for API Eric Irrgang 06/24/2019 01:25 PM
2992 GROMACS Task New Normal Split hw_opt in const user options and dynamic settings 06/24/2019 12:41 PM GROMACS - 2020-beta1
2991 GROMACS Bug New Normal Current git (since at least Feb): all molecules renumbered as "1" in _final_ GRO file output at end of a simulation 06/25/2019 01:21 PM
2990 GROMACS Bug New Normal ARM neon SIMD4 error 06/20/2019 04:08 PM GROMACS - 2020-beta1
2987 GROMACS Bug New Normal assess the bonded GPU task assignment default 06/19/2019 06:02 PM GROMACS - 2020
2985 GROMACS Feature New Normal Python package documentation 06/19/2019 12:24 PM GROMACS - 2020
2984 GROMACS Feature New Normal More Extensive Selections Examples Dallas Warren 06/18/2019 11:50 PM
2983 GROMACS Task New Normal better suited data-types for bonded GPU kernels 07/11/2019 04:32 PM
2981 GROMACS Bug New Normal segfault in opencl build 06/18/2019 03:30 AM
2980 GROMACS Bug New Normal taskassignment fails with unit tests when GPUs and custom number of ranks is used 06/17/2019 05:28 PM
2979 GROMACS Task Accepted Normal Reconsider default 1 OpenMP thread per thread-MPI rank Berk Hess 06/17/2019 01:28 PM GROMACS - 2020-beta1
2978 GROMACS Bug New Normal Some suggestions about the gmx current tool 06/13/2019 12:41 PM
2977 GROMACS Feature New Normal print DD load balancing improvement 06/13/2019 10:56 AM
2976 GROMACS Task New Normal Basic math for Multidimensional arrays 08/04/2019 09:44 PM GROMACS - 2020
2975 GROMACS Feature New Normal LJ PME calculations on GPUs 06/12/2019 01:17 PM
2974 GROMACS Bug New Normal position-restraints regressiontest fails on intel GPU 06/12/2019 01:24 PM GROMACS - 2019.4
2971 GROMACS Task New Normal Rework TPR reading to allow reading of raw bytes from disk and communication of complete information at setup time Paul Bauer 06/25/2019 01:27 PM
2967 GROMACS Feature New Normal GPU reallocateDeviceBuffer improvements 06/13/2019 02:41 PM GROMACS - 2020-beta1
2965 GROMACS Task New Normal Performance of GPU direct communications 05/31/2019 03:12 PM GROMACS - 2020
2961 GROMACS Feature New Normal How should Python package find GROMACS resources under various circumstances? 05/29/2019 12:00 AM
2958 GROMACS Bug New Normal Compiling master (to become 2020) using CUDA 9.0 05/23/2019 04:36 PM GROMACS - 2020-beta1
2957 GROMACS Feature New Normal add support for the Hygon Dhyana architecture 05/21/2019 01:00 PM GROMACS - 2020
2956 GROMACS Feature New Normal SAXS resolution 05/17/2019 09:58 AM
2954 GROMACS Bug New Normal genion changes residue numbering 05/26/2019 12:08 AM
2950 GROMACS Bug Accepted Normal wrong temperature reported at end of sim with uneven number of steps Paul Bauer 07/08/2019 01:44 PM GROMACS - 2019.4
2949 GROMACS Bug New Normal cmake fails when building mdrun only 07/08/2019 10:04 AM
2948 GROMACS Bug New Normal SIMD support detected as none on AMD R5 2500U 05/21/2019 12:58 PM
2947 GROMACS Task Accepted Normal make an end to end test for membed 05/29/2019 06:57 PM GROMACS - 2020-beta1
2945 GROMACS Task New Normal Give MdModules access to simulation resources (e.g. atom selection manager or communication infrastructure) Christian Blau 05/19/2019 01:26 PM GROMACS - 2020
2944 GROMACS Feature New Normal Roadmap for thermostats / barostats in new propagation/integration scheme Michael Shirts 05/08/2019 05:50 PM GROMACS - 2020
2943 GROMACS Task New Normal Rename Integrator Pascal Merz 05/23/2019 08:04 PM GROMACS - 2020
2937 TNG trajectory library Bug New Normal tng_num_frames_get reports incorrect num frames 04/29/2019 11:30 AM
2936 GROMACS Task New Normal introduce check that CPU-GPU transfers are made between arrays of compatible types 05/13/2019 09:23 AM GROMACS - 2020
2934 GROMACS Feature New Normal GPU X Buffer ops 08/14/2019 05:58 PM GROMACS - 2020
2933 GROMACS Task New Normal Convert walls to a ForceProvider 04/25/2019 02:43 PM
2931 GROMACS Feature New Normal Tables in Verlet kernels 04/29/2019 12:01 PM
2930 GROMACS Feature New Normal Limited range for reference group detection in cylinder pulling 04/26/2019 05:17 PM
2928 GROMACS Feature New Normal Add ability to use expression "count of ATOM_EXPR" in selection statements. 04/16/2019 04:52 PM
2925 GROMACS Bug New Normal BasicVector addition operator yields unexpected result when adding scalar Christian Blau 04/20/2019 05:39 PM GROMACS - 2020
2924 GROMACS Bug New Normal Failing version check when reading new tpr file with older gromacs version 04/12/2019 10:52 AM
2919 GROMACS Task New Normal C++ style guidelines for namespace use 04/15/2019 01:21 PM
2916 GROMACS Task New Normal Decide future of symtab Paul Bauer 05/10/2019 04:29 PM GROMACS - 2020-beta1
2915 GROMACS Feature New Normal GPU direct communications 08/16/2019 06:09 PM
2912 GROMACS Task Resolved Normal C++ extension module for Python bindings Eric Irrgang 07/05/2019 09:00 AM
2910 GROMACS Feature New Normal Mixed scaling for 1-4 interactions 04/10/2019 10:13 PM
2909 GROMACS Task New Normal consider implementing mechanisms to ensure pair lists are not used past their max lifetime 04/03/2019 05:14 PM
2908 GROMACS Task New Normal Renaming things in nbnxm Berk Hess 03/28/2019 10:10 AM
2907 GROMACS Bug New Normal Gromacs autocompletion appears to be broken with ZSH 07/16/2019 04:46 AM
2905 GROMACS Task New Normal Add a Jenkins configuration with std library assert 04/16/2019 10:01 AM
2902 GROMACS Bug New Normal 2019.1 equilibration issue? (Intel 2018u3) 04/30/2019 08:17 AM
2901 GROMACS Feature New Normal Declare external Resources in mdp / tpr files. Christian Blau 03/27/2019 04:27 PM GROMACS - 2020
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
2897 GROMACS Bug New Normal rotation/flex2 can still fail on cpu-only run on OpenCL build 04/04/2019 06:24 PM
2896 GROMACS Feature New Normal Python packaging 04/03/2019 12:57 PM GROMACS - 2020
2895 GROMACS Task Resolved Normal gmxapi Output proxy establishes execution dependency. Eric Irrgang 03/29/2019 05:18 PM GROMACS - 2020
2894 GROMACS Task Resolved Normal Wrap importable Python code. Eric Irrgang 05/09/2019 11:30 AM GROMACS - 2020
2893 GROMACS Task Resolved Normal Integrate gmxapi Python package Eric Irrgang 04/09/2019 12:20 PM GROMACS - 2020
2891 GROMACS Feature New Normal PME/PP GPU communications 04/02/2019 05:30 PM
2890 GROMACS Feature New Normal GPU Halo Exchange 08/01/2019 05:36 PM GROMACS - 2020
2889 GROMACS Task New Normal update grompp warnings for brevity, usefulness and actionability Mark Abraham 03/11/2019 02:15 PM GROMACS - 2020
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
2886 GROMACS Feature New Normal CUDA version of SETTLE Artem Zhmurov 03/13/2019 01:40 PM GROMACS - 2020
2885 GROMACS Feature New Normal CUDA version of LINCS Artem Zhmurov 03/12/2019 01:33 PM GROMACS - 2020
2884 GROMACS Bug In Progress Normal GROMACS can not reproduce properties with the GROMOS force fields 06/02/2019 02:30 AM
2883 GROMACS Bug New Normal essentialdynamics fail with Intel MPI 03/08/2019 03:10 AM
2882 GROMACS Task New Normal evaluate different storage layouts for GPU coordinates/changes/forces Szilárd Páll 03/07/2019 06:21 PM
2877 GROMACS Task New Normal use gmx::Options more Mark Abraham 04/02/2019 06:14 PM GROMACS - 2020
2876 GROMACS Bug New Normal 2019.1 make check fails on AVX and AVX2 (Intel 2018u3) Erik Lindahl 03/08/2019 10:32 AM
2875 GROMACS Task Accepted Normal SIMD version of the free-energy kernel Berk Hess 03/05/2019 02:21 PM GROMACS - 2020
2874 GROMACS Task New Normal Refactor Gromacs (cluster) neighborlist into separate module Erik Lindahl 02/28/2019 11:36 AM
2873 GROMACS Bug New Normal Simple way to get last frame from trajectory 02/28/2019 11:14 PM
2872 GROMACS Bug New Normal gmx solvate and genion topology update 02/27/2019 10:18 AM
2870 GROMACS Bug New Normal GPU detection error message missing from the output 03/05/2019 03:55 PM
2869 GROMACS Bug New Normal GPU detection error only issued as a note to the log 03/05/2019 04:09 PM
2866 GROMACS Feature New Normal Alternative non-bonded potentials David van der Spoel 03/05/2019 03:50 PM GROMACS - future
2864 GROMACS Task New Normal Building incompatibilties Benson Muite 02/19/2019 02:00 PM
2863 GROMACS Task New Normal improve PBC handling 03/11/2019 04:28 PM
2862 GROMACS Bug In Progress Normal Division by zero in restrained dihedrals 04/01/2019 11:53 AM GROMACS - 2020
2860 GROMACS Feature New Normal Option for outputting min/max coordinates in gmx traj 02/08/2019 12:35 AM
2859 GROMACS Task Fix uploaded Normal Change ArrayRef iterator type from pointer to std::iterator 02/08/2019 11:00 PM
2857 GROMACS Task New Normal Clarify recommended function specifies (constexpr, noexcept, pure) 02/04/2019 04:48 AM
2855 GROMACS Task New Normal Allow compiling GROMACS without C compiler 01/31/2019 08:44 PM
2854 GROMACS Bug New Normal OnlineHelpUnitTests segfaults on s390x with gcc-9.0.1 Paul Bauer 02/04/2019 11:17 AM
2853 GROMACS Bug New Normal EwaldUnitTests segfault on armv7hl with gcc-9.0.1 Paul Bauer 02/04/2019 05:34 PM
2851 Support Platforms Task New Normal uninstall redmine checklist plugin 01/30/2019 03:33 PM
2850 GROMACS Task In Progress Normal assess Raptor Talos for testing Szilárd Páll 02/12/2019 01:14 PM
2848 GROMACS Bug New Normal gmx make_ndx ignores last residue in case only CA's are present in GRO file 01/30/2019 06:16 AM
2840 GROMACS Feature New Normal Test that functionality does not compile that is not supposed to. 01/25/2019 02:35 PM GROMACS - future
2839 GROMACS Task New Normal make module and file naming consistent 04/09/2019 04:27 PM GROMACS - 2020
2835 GROMACS Task New Normal Matrix class constraint to upper or lower triangle 02/07/2019 02:44 PM
2834 GROMACS Task New Normal C++ matrix classes Christian Blau 01/23/2019 12:19 PM GROMACS - 2020
2833 GROMACS Task New Normal Update topology datastructures Paul Bauer 04/02/2019 12:39 PM GROMACS - 2020
2831 GROMACS Task New Normal Bump required version numbers of infrastructure for 2020 Mark Abraham 04/02/2019 03:04 PM GROMACS - 2020
2828 GROMACS Bug Feedback wanted Normal Installation issue on Power 9 system with SIMD support 01/18/2019 11:54 AM
2822 GROMACS Task Accepted Normal Make nbnxn a module Berk Hess 01/03/2019 03:07 PM GROMACS - 2020
2818 GROMACS Task In Progress Normal bonded GPU kernel fusion Magnus Lundborg 07/03/2019 09:01 PM
2817 GROMACS Feature In Progress Normal GPU X/F buffer ops 08/14/2019 05:32 PM GROMACS - 2020-beta1
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
2806 GROMACS Feature New Normal SIMD algorithms for ARM SVE // nobnonded cluster and otheres 12/12/2018 05:52 PM GROMACS - 2020
2798 GROMACS Bug New Normal Default mpi rank number fails when there are 16 cores and 3 gpus Berk Hess 12/11/2018 10:11 PM GROMACS - 2020
2795 GROMACS Task New Normal Incorporate regressiontests into core gromacs 02/13/2019 08:17 PM GROMACS - 2020
2792 GROMACS Task New Normal Improvement of PME gather and spread CUDA kernels 08/16/2019 12:42 PM
2791 GROMACS Feature In Progress Normal Implement a module for lambda-dynamics simulations (lambda_site module) Thomas Ullmann 03/01/2019 01:36 AM GROMACS - future
2788 GROMACS Bug New Normal PME will not run on AMD GPU with NVidia GPU present 01/03/2019 02:24 PM
2787 GROMACS Task New Normal allow passing flags to allocateDeviceBuffer 12/03/2018 01:54 PM
2785 GROMACS Bug New Normal Inconsistent and erroneous behaviour of trjconv when writing a partial TNG 11/30/2018 02:36 PM
2774 GROMACS Feature New Normal Refactor shell code into its own integrator David van der Spoel 03/29/2019 05:20 PM GROMACS - 2020
2773 GROMACS Task New Normal improve GPU error handling and make such handling uniform across modules 11/21/2018 10:28 AM GROMACS - 2020
2771 GROMACS Task New Normal Size independent Hessian for normal mode analysis 12/08/2018 08:06 PM GROMACS - 2020
2770 GROMACS Task New Normal change branch maintenance policy 11/29/2018 02:51 PM GROMACS - 2020
2767 GROMACS Bug New Normal grompp warns about md + FEP even for fully coupled states 11/19/2018 11:41 AM GROMACS - 2020
2766 GROMACS Task In Progress Normal Improve hardware option selection Kevin Boyd 12/20/2018 06:40 PM GROMACS - 2020
2764 GROMACS Task New Normal gmxapi version updates for post release-2019 Eric Irrgang 11/21/2018 12:53 PM
2763 GROMACS Bug New Normal GMXAPI layout / grouping in development docs "modules" page 12/14/2018 12:49 PM GROMACS - future
2762 GROMACS Bug Blocked, need info Normal incorrect results with Ubuntu 18.04 / glibc 2.27 (?) and >20 threads 07/01/2019 11:26 PM
2756 GROMACS Task In Progress Normal gmxapi integration testing 08/16/2019 09:56 AM GROMACS - 2020-infrastructure-update-post-beta1
2754 GROMACS Bug New Normal Simulated Tempering seems to be broken Michael Shirts 02/05/2019 03:58 PM
2740 GROMACS Bug New Normal mdrun reports incorrect error with -bonded gpu without gpu Mark Abraham 11/07/2018 01:59 PM
2739 GROMACS Feature New Normal Parallel continuous tempering and enhanced sampling feature 11/13/2018 11:36 PM
2735 GROMACS Task New Normal Allow gmx_genrestr to write correct position restraints for molecules after the first molecule Joe Jordan 11/09/2018 12:19 PM GROMACS - 2020
2734 GROMACS Bug In Progress Normal regressiontests/kernel core dumps on ppc64le Paul Bauer 06/15/2019 04:12 PM GROMACS - future
2733 GROMACS Bug Blocked, need info Normal MdrunUtilityMpiUnitTests timesout on i686 and armv7hl with OpenMPI 2.1.5 Paul Bauer 11/08/2018 04:27 PM
2730 GROMACS Task New Normal Add tests for gmx_genion Joe Jordan 11/02/2018 06:42 PM GROMACS - 2020
2728 GROMACS Bug New Normal Fix NB kernel picking 11/02/2018 03:51 PM GROMACS - 2020
2723 GROMACS Task New Normal Update mdrun-performance.rst to clearly express the nature of task Joe Jordan 06/10/2019 01:33 PM GROMACS - 2020-beta1
2722 GROMACS Bug New Normal gmxapi may over-manage RPATH Mark Abraham 12/17/2018 01:31 PM GROMACS - 2020
2715 GROMACS Feature New Normal Avoid requesting the user to recompile gromacs for Intel OpenCL support 10/31/2018 12:16 PM GROMACS - 2020
2713 GROMACS Feature New Normal Constant offset for external electric fields 10/28/2018 12:57 AM
2710 GROMACS Feature New Normal Separate dvdl for each molecule (of couple-moltype) when running FEP 10/26/2018 10:24 AM GROMACS - 2020
2707 GROMACS Bug New Normal Installed OpenCL files include clh file from gpu_utils directory 10/30/2018 04:02 AM
2706 GROMACS Task Accepted Normal Rework classic QM/MM interface 11/05/2018 10:06 AM GROMACS - 2020
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