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# Project Tracker Status Priority Subject Assignee Updated Target version
3010 GROMACS Task In Progress Normal upgrade OpenCL stack on bs-gpu01 08/23/2019 03:23 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
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
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
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
3142 GROMACS Feature New High centralize and clarify GPU force buffer clearing 10/14/2019 04:56 PM 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
3130 GROMACS Task New Normal Interim handling of gmxapi data references. Eric Irrgang 10/15/2019 09:07 AM 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
3125 GROMACS Bug New Normal OpenCL on Volta and Turing borken 10/13/2019 11:46 PM GROMACS - 2020-beta2
3118 GROMACS Task New Normal clang-tidy segfaulting in CI 10/04/2019 11:34 AM GROMACS - 2020-beta2
3111 GROMACS Bug New Low sample_restraint testing should not download files Eric Irrgang 10/13/2019 01:00 PM GROMACS - 2020-beta2
3100 GROMACS Bug In Progress Normal crash with GPU comm DD 09/27/2019 01:28 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
3095 GROMACS Bug Blocked, need info High segfault in t_vcm initialization 09/27/2019 05:06 PM 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
3081 GROMACS Bug Resolved High segmentation fault from ~LegacyMdrunOptions() Mark Abraham 10/15/2019 08:17 AM GROMACS - 2020-beta2
3061 GROMACS Task Blocked, need info Normal support for Zen2 09/25/2019 12:15 AM GROMACS - 2020-beta2
3029 GROMACS Feature In Progress High GPU force buffer ops + reduction 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
3017 GROMACS Bug New Normal ddBalanceRegionHandler triggers need fixing 09/24/2019 03:25 PM GROMACS - 2020-beta2
2990 GROMACS Bug New Normal ARM neon SIMD4 error 09/24/2019 03:25 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
2967 GROMACS Feature New Normal GPU reallocateDeviceBuffer improvements 09/24/2019 06:52 PM GROMACS - 2020-beta2
2958 GROMACS Bug New Normal Compiling master (to become 2020) using CUDA 9.0 10/14/2019 09:15 PM GROMACS - 2020-beta2
2817 GROMACS Feature In Progress High GPU X/F buffer ops 10/11/2019 11:55 AM 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
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
2974 GROMACS Bug New Normal position-restraints regressiontest fails on intel GPU 10/01/2019 11:12 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
3143 GROMACS Task New Normal move the non-force accumulation/accounting tasks out of the GPU wait functions Szilárd Páll 10/14/2019 05:14 PM GROMACS - 2020
3141 GROMACS Bug New Normal gmxapi File placeholders missing from beta release Eric Irrgang 10/15/2019 03:57 PM GROMACS - 2020
3140 GROMACS Feature New Normal Allow explicit input definition for gmxapi.operation function wrapper Eric Irrgang 10/15/2019 03:56 PM GROMACS - 2020
3133 GROMACS Task New Normal Cookiecutter for sample_restraint Eric Irrgang 10/13/2019 01:07 PM GROMACS - 2020
3119 GROMACS Task New Normal clang-tidy coverage of parallelizaton codepaths 10/04/2019 12:17 PM GROMACS - 2020
3105 GROMACS Task New Normal implement GPU PME/PP comm cycle counting 09/24/2019 03:19 PM GROMACS - 2020
3104 GROMACS Task New Normal implement GPU DD cycle counting 09/24/2019 03:19 PM GROMACS - 2020
3093 GROMACS Task New High rework GPU direct halo-exchange related force reduction complexities 10/11/2019 05:53 PM GROMACS - 2020
3092 GROMACS Task New Normal implement better receiver ready / notify in halo exchange 09/18/2019 02:47 AM GROMACS - 2020
3087 GROMACS Feature New Normal enable GPU peer to peer access 09/12/2019 04:24 PM GROMACS - 2020
3082 GROMACS Task New High move launch/synchronization points to clarify task dependencies 10/11/2019 05:53 PM GROMACS - 2020
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
3064 GROMACS Task New Normal add test for perturbed bonded forces 08/22/2019 06:34 PM GROMACS - 2020
3062 GROMACS Task New Normal add twin cut-off mdrun test 08/19/2019 06:21 PM GROMACS - 2020
3057 GROMACS Task New Normal re-enable fusion on Power8/9 Szilárd Páll 08/12/2019 11:41 AM GROMACS - 2020
3050 GROMACS Bug New Low Fix tests on Solaris Vedran Miletic 07/29/2019 12:38 PM GROMACS - 2020
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 09/24/2019 03:27 PM GROMACS - 2020
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 08/21/2019 06:08 PM GROMACS - 2020
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
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
3014 GROMACS Task New Normal gmxapi example Python scripts 06/28/2019 11:07 AM GROMACS - 2020
3008 GROMACS Task New Normal verify block size choice of CUDA bonded kernel 06/26/2019 08:38 PM GROMACS - 2020
3001 GROMACS Task New Normal explore simplifying virial and shift force reduction 06/25/2019 04:03 PM GROMACS - 2020
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
2992 GROMACS Task New Normal Split hw_opt in const user options and dynamic settings 09/24/2019 03:23 PM GROMACS - 2020
2988 GROMACS Task In Progress Low clean up and refactor code to modern standards 06/20/2019 02:14 PM GROMACS - 2020
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
2976 GROMACS Task New Normal Basic math for Multidimensional arrays 08/04/2019 09:44 PM GROMACS - 2020
2965 GROMACS Task New Normal Performance of GPU direct communications 05/31/2019 03:12 PM GROMACS - 2020
2957 GROMACS Feature New Normal add support for the Hygon Dhyana architecture 05/21/2019 01:00 PM GROMACS - 2020
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
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 09/24/2019 06:07 PM GROMACS - 2020
2925 GROMACS Bug New Normal BasicVector addition operator yields unexpected result when adding scalar Christian Blau 04/20/2019 05:39 PM GROMACS - 2020
2901 GROMACS Feature New Normal Declare external Resources in mdp / tpr files. Christian Blau 03/27/2019 04:27 PM GROMACS - 2020
2896 GROMACS Feature In Progress Normal Python packaging 10/09/2019 04:08 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
2890 GROMACS Feature New High GPU Halo Exchange 10/14/2019 01:32 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 Low CUDA Update and Constraints module Artem Zhmurov 10/08/2019 03:09 PM GROMACS - 2020
2887 GROMACS Feature New Normal CUDA version of Leap Frog algorithm Artem Zhmurov 10/02/2019 12:00 PM GROMACS - 2020
2886 GROMACS Feature New Normal CUDA version of SETTLE Artem Zhmurov 10/02/2019 12:02 PM GROMACS - 2020
2885 GROMACS Feature New Normal CUDA version of LINCS Artem Zhmurov 03/12/2019 01:33 PM GROMACS - 2020
2877 GROMACS Task New Normal use gmx::Options more Mark Abraham 04/02/2019 06:14 PM GROMACS - 2020
2875 GROMACS Task Accepted Normal SIMD version of the free-energy kernel Berk Hess 08/26/2019 03:47 PM GROMACS - 2020
2862 GROMACS Bug In Progress Normal Division by zero in restrained dihedrals 04/01/2019 11:53 AM GROMACS - 2020
2839 GROMACS Task New Normal make module and file naming consistent 04/09/2019 04:27 PM GROMACS - 2020
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
2832 GROMACS Bug New Low PaddedVector move operations broken Mark Abraham 02/12/2019 03:22 PM GROMACS - 2020
2822 GROMACS Task Accepted Normal Make nbnxn a module Berk Hess 01/03/2019 03:07 PM GROMACS - 2020
2816 GROMACS Feature New High GPU offload / optimization for update&constraits, buffer ops and multi-gpu communication Alan Gray 10/14/2019 01:32 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
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
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
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
2727 GROMACS Task In Progress Low Move non-analysis functions out of gmxana 01/20/2019 07:48 PM GROMACS - 2020
2723 GROMACS Task New Normal Update mdrun-performance.rst to clearly express the nature of task Joe Jordan 09/24/2019 03:21 PM GROMACS - 2020
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
2710 GROMACS Feature New Normal Separate dvdl for each molecule (of couple-moltype) when running FEP 10/26/2018 10:24 AM GROMACS - 2020
2706 GROMACS Task Accepted Normal Rework classic QM/MM interface 11/05/2018 10:06 AM GROMACS - 2020
2699 GROMACS Task New Normal Test POWER9 04/05/2019 04:50 PM GROMACS - 2020
2697 GROMACS Task New Normal improve FFT library flavor/version reporting 12/10/2018 01:49 PM GROMACS - 2020
2695 GROMACS Task New Low bonded GPU module timing 01/21/2019 01:19 PM GROMACS - 2020
2686 GROMACS Task New Normal add tests for gpu bonded interactions 11/29/2018 10:44 AM GROMACS - 2020
2675 GROMACS Task In Progress Normal bonded CUDA offload task 06/26/2019 08:38 PM GROMACS - 2020
2671 GROMACS Task New Normal replace constants like M_PI 10/05/2018 08:58 AM 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
2660 GROMACS Task New Low rework OpenCL nbnxn kernel constants Szilárd Páll 10/30/2018 12:10 PM GROMACS - 2020
2615 GROMACS Feature Accepted Normal Switch to Python3 07/05/2019 02:57 PM GROMACS - 2020
2581 GROMACS Feature Accepted Normal User interface for hybrid Monte Carlo 10/15/2018 05:21 PM GROMACS - 2020
2553 GROMACS Bug Accepted Normal Incorrect COM velocity correction with frozen atoms Berk Hess 12/03/2018 01:15 PM GROMACS - 2020
2537 GROMACS Task New Normal Simplify PME solve reduction Aleksei Iupinov 10/30/2018 12:08 PM GROMACS - 2020
2524 GROMACS Task New Normal struct alignment/packing for OpenCL host & device code 10/30/2018 12:06 PM GROMACS - 2020
2522 GROMACS Task New Normal OpenCL context duplication 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
2498 GROMACS Task New Normal OpenCL memory pinning/mapping 10/30/2018 12:07 PM GROMACS - 2020
2495 GROMACS Task New Normal replace -noconfout with mdp option Mark Abraham 10/12/2018 10:34 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
2480 GROMACS Bug New Normal pdb2gmx does not protonate correctly for united-atom Gromos Mark Abraham 12/17/2018 01:27 PM GROMACS - 2020
2475 GROMACS Task New Normal make OpenCL 1st class-citizen in the build system 10/30/2018 12:01 PM GROMACS - 2020
2453 GROMACS Task Resolved High PME OpenCL porting effort Aleksei Iupinov 06/05/2019 05:32 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
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
2395 GROMACS Task In Progress Normal break up commrec Mark Abraham 09/19/2018 03:13 PM GROMACS - 2020
2391 GROMACS Task Accepted Normal re-enable TPI test Berk Hess 01/09/2019 05:17 PM GROMACS - 2020
2390 GROMACS Bug Feedback wanted Normal GROMACS build system should check for valid nvcc flags before use 01/30/2019 06:16 PM GROMACS - 2020
2353 GROMACS Task New Normal improve on relative tolerance for constructing tables 10/30/2018 04:17 AM GROMACS - 2020
2281 GROMACS Task In Progress Normal Represent data on regularly spaced N-dimensional grids. Christian Blau 08/06/2019 08:48 AM GROMACS - 2020
2224 GROMACS Feature New Normal Proposed feature: conditional stop Vedran Miletic 09/19/2018 03:06 PM GROMACS - 2020
2192 GROMACS Bug Accepted Low grompp should read floats (e.g charge) from data files to double, to avoid accumulating round-off error Berk Hess 12/03/2018 01:25 PM GROMACS - 2020
2169 GROMACS Task New Normal remove 'continuation' mdp option 10/12/2018 10:36 PM GROMACS - 2020
2070 GROMACS Feature In Progress Normal Physical validation testing Michael Shirts 10/12/2018 10:36 PM GROMACS - 2020
2059 GROMACS Task In Progress Normal Separate different types of data in t_state 10/12/2018 10:36 PM GROMACS - 2020
2054 GROMACS Feature Accepted High PME on GPU Aleksei Iupinov 10/03/2019 09:41 PM GROMACS - 2020
2053 GROMACS Task New Normal refine notation in GPU code 09/04/2019 01:47 PM GROMACS - 2020
1985 GROMACS Bug Fix uploaded Low CUDA build system refactoring awaiting review 10/15/2018 05:21 PM GROMACS - 2020
1977 GROMACS Bug Feedback wanted Low warning: __WORDSIZE not defined 09/21/2018 06:19 PM GROMACS - 2020
1943 GROMACS Task Accepted Low make sure releases are submitted early for Debian Experimental Szilárd Páll 12/31/2018 11:15 AM GROMACS - 2020
1925 GROMACS Task In Progress Normal remove concept of unilateral global communication 07/15/2019 06:42 PM GROMACS - 2020
1781 GROMACS Task Accepted Normal re-design benchmarking functionality Mark Abraham 10/08/2018 07:04 PM GROMACS - 2020
1587 GROMACS Task New Normal improve the configurability of regression tests 01/18/2019 06:17 AM GROMACS - 2020
1165 GROMACS Feature Accepted Low Multi-SIMD binaries 01/23/2019 02:08 PM GROMACS - 2020
868 GROMACS Feature In Progress Normal Implement parallelization support to analysis framework Kevin Boyd 02/07/2019 02:08 AM GROMACS - 2020
3148 GROMACS Feature New Normal Roadmap for gmxapi filesystem interactions. Eric Irrgang 10/15/2019 06:23 PM GROMACS - 2021-infrastructure-stable
3147 GROMACS Feature New Normal gmxapi workflow checkpointing Eric Irrgang 10/15/2019 06:18 PM GROMACS - 2021-infrastructure-stable
3113 GROMACS Bug New Low Use of read_tps_conf is depecrated Paul Bauer 10/01/2019 11:36 AM GROMACS - 2021-infrastructure-stable
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
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
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
3047 GROMACS Task New Normal Set required versions for GROMACS 2021 08/24/2019 05:25 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
3033 GROMACS Task In Progress Normal Clean up and modernize googletest bundling and usage 08/24/2019 05:23 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
3013 GROMACS Task New Normal Extend logging levels in MDLogger 09/06/2019 02:34 PM GROMACS - 2021-infrastructure-stable
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
3149 GROMACS Feature New Normal Python user interface for obtaining simulation artifacts as files. Eric Irrgang 10/15/2019 06:21 PM
3139 GROMACS Task New Normal gmxapi Futures should be subscribable Eric Irrgang 10/15/2019 03:56 PM
3138 GROMACS Feature New Normal Improve ensemble support in Context specification. 10/15/2019 03:56 PM
3135 GROMACS Feature New Normal Make GPU traits ino opaque types 10/14/2019 10:24 AM
3134 GROMACS Feature Feedback wanted Normal gmxapi Python exception names may need improvement Eric Irrgang 10/13/2019 01:50 PM
3132 GROMACS Task New Low gmxapi testing support tools 10/13/2019 01:00 PM
3131 GROMACS Task New Normal support ccache with clang-tidy Mark Abraham 10/15/2019 07:23 AM
3127 GROMACS Bug New Normal mdrun-mpi-test -ntmpi 2 runs out of memory with OpenCL on Nvidia 10/09/2019 05:33 PM
3126 GROMACS Feature New Normal State propagator GPU data manager 10/09/2019 02:42 PM
3124 GROMACS Bug New Normal significant performance loss due to DLB auto-off when PP/PME load >1 10/09/2019 04:33 PM
3123 GROMACS Task New Normal address sanitizer coverage of parallelization code-paths 10/05/2019 12:32 AM
3116 GROMACS Bug New Normal regressiontests/freeenergy core dumps on ppc64le Paul Bauer 10/04/2019 10:52 PM
3115 GROMACS Feature New Normal Device stream manager 10/04/2019 09:00 AM
3114 GROMACS Task New Low Possible improvements to update-constraints Artem Zhmurov 10/07/2019 11:38 AM
3106 GROMACS Task New Normal Implement multiple pulses with GPU communication Alan Gray 09/25/2019 02:23 PM
3101 GROMACS Bug Blocked, need info Normal detect compilation failed 09/24/2019 05:26 PM
3088 GROMACS Bug New Normal Reference to theory needed for cylindrical pull geometry 09/13/2019 11:26 AM
3086 GROMACS Bug New Normal gmxapi fails with MPI build of GROMACS 2020 09/25/2019 04:18 PM
3083 GROMACS Bug New Normal Listed forces tests failing on ICC19 with AVX2_256 nightly build 09/10/2019 11:56 AM
3078 GROMACS Task New Normal Allow MD modules to register energy output fields themselves 09/06/2019 11:36 AM
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
3075 GROMACS Bug New Normal Frozen atoms are moving 09/04/2019 08:00 PM
3074 GROMACS Bug Feedback wanted Normal box volume is affected by decoupled molecule when using couple-moltype mdp option Berk Hess 10/15/2019 09:25 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
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
3058 GROMACS Bug Feedback wanted Normal Error when using a large PME grid on a GPU 09/04/2019 07:26 PM
3055 GROMACS Bug Feedback wanted Normal Error in gmx xpm2ps 08/22/2019 03:27 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
3045 GROMACS Feature New Low Option to remove v-sites in trjconv? 07/19/2019 04:42 PM
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