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# Project Tracker Status Priority Subject Assignee Updated Target version
2978GROMACSBugNewNormalSome suggestions about the gmx current tool06/13/2019 12:41 PM
2977GROMACSFeatureNewNormalprint DD load balancing improvement06/13/2019 10:56 AM
2976GROMACSTaskNewNormalBasic math for Multidimensional arrays06/13/2019 12:37 AMGROMACS - 2020
2975GROMACSFeatureNewNormalLJ PME calculations on GPUs06/12/2019 01:17 PM
2974GROMACSBugNewNormalposition-restraints regressiontest fails on intel GPU06/12/2019 01:24 PMGROMACS - 2019.4
2972GROMACSBugNewNormalsmall bug in anaeig when comparing two eigenvector files06/10/2019 10:22 PM
2971GROMACSTaskNewNormalRework TPR reading to allow reading of raw bytes from disk and communication of complete information at setup timePaul Bauer06/07/2019 02:27 AM
2967GROMACSFeatureNewNormalGPU reallocateDeviceBuffer improvements06/13/2019 02:41 PMGROMACS - 2020-beta1
2965GROMACSTaskNewNormalPerformance of GPU direct communications05/31/2019 03:12 PMGROMACS - 2020
2961GROMACSFeatureNewNormalHow should Python package find GROMACS resources under various circumstances?05/29/2019 12:00 AM
2959GROMACSBugNewNormalPython pygments not installed on bs_nix-docs prevents documentation build06/04/2019 05:52 PMGROMACS - 2020-infrastructure-stable
2958GROMACSBugNewNormalCompiling master (to become 2020) using CUDA 9.005/23/2019 04:36 PMGROMACS - 2020-beta1
2957GROMACSFeatureNewNormaladd support for the Hygon Dhyana architecture05/21/2019 01:00 PMGROMACS - 2020
2956GROMACSFeatureNewNormalSAXS resolution05/17/2019 09:58 AM
2954GROMACSBugNewNormalgenion changes residue numbering05/26/2019 12:08 AM
2950GROMACSBugNewNormalwrong temperature reported at end of sim with uneven number of steps05/13/2019 03:13 PM
2949GROMACSBugNewNormalcmake fails when building mdrun only05/11/2019 11:48 AM
2948GROMACSBugNewNormalSIMD support detected as none on AMD R5 2500U05/21/2019 12:58 PM
2947GROMACSTaskAcceptedNormalmake an end to end test for membed05/29/2019 06:57 PMGROMACS - 2020-beta1
2945GROMACSTaskNewNormalGive MdModules access to simulation resources (e.g. atom selection manager or communication infrastructure)Christian Blau05/19/2019 01:26 PMGROMACS - 2020
2944GROMACSFeatureNewNormalRoadmap for thermostats / barostats in new propagation/integration schemeMichael Shirts05/08/2019 05:50 PMGROMACS - 2020
2943GROMACSTaskNewNormalRename IntegratorPascal Merz05/23/2019 08:04 PMGROMACS - 2020
2941GROMACSBugNewNormalOpenCL fail in osx 10.13.605/06/2019 07:51 PM
2939GROMACSBugFix uploadedNormalmaster post-submit failing in complex.nbnxn-ljpme-LB-geometric06/07/2019 03:29 PMGROMACS - 2020-infrastructure-stable
2938GROMACSTaskNewNormalDecouple building the force providers from the force calculationsChristian Blau04/29/2019 01:09 PM
2937TNG trajectory libraryBugNewNormaltng_num_frames_get reports incorrect num frames04/29/2019 11:30 AM
2936GROMACSTaskNewNormalintroduce check that CPU-GPU transfers are made between arrays of compatible types05/13/2019 09:23 AMGROMACS - 2020
2935Support PlatformsBugNewHighredmine issue updates about gerrit uploads stopped working06/11/2019 01:42 PMSupport Platforms - current
2934GROMACSFeatureNewNormalGPU X Buffer ops06/06/2019 03:26 PMGROMACS - 2020
2933GROMACSTaskNewNormalConvert walls to a ForceProvider04/25/2019 02:43 PM
2931GROMACSFeatureNewNormalTables in Verlet kernels04/29/2019 12:01 PM
2930GROMACSFeatureNewNormalLimited range for reference group detection in cylinder pulling04/26/2019 05:17 PM
2928GROMACSFeatureNewNormalAdd ability to use expression "count of ATOM_EXPR" in selection statements.04/16/2019 04:52 PM
2927GROMACSBugFeedback wantedLowCMake 3.14.1 fails to properly run gmxDetectCpu.make 06/11/2019 02:42 PMGROMACS - 2019.4
2925GROMACSBugNewNormalBasicVector addition operator yields unexpected result when adding scalarChristian Blau04/20/2019 05:39 PMGROMACS - 2020
2924GROMACSBugNewNormalFailing version check when reading new tpr file with older gromacs version04/12/2019 10:52 AM
2919GROMACSTaskNewNormalC++ style guidelines for namespace use04/15/2019 01:21 PM
2916GROMACSTaskNewNormalDecide future of symtabPaul Bauer05/10/2019 04:29 PMGROMACS - 2020-beta1
2915GROMACSFeatureNewNormalGPU direct communications06/12/2019 05:25 PM
2912GROMACSTaskIn ProgressNormalC++ extension module for Python bindingsEric Irrgang04/03/2019 08:36 PM
2910GROMACSFeatureNewNormalMixed scaling for 1-4 interactions04/10/2019 10:13 PM
2909GROMACSTaskNewNormalconsider implementing mechanisms to ensure pair lists are not used past their max lifetime04/03/2019 05:14 PM
2908GROMACSTaskNewNormalRenaming things in nbnxmBerk Hess03/28/2019 10:10 AM
2907GROMACSBugNewNormalGromacs autocompletion appears to be broken with ZSH03/27/2019 11:19 AM
2905GROMACSTaskNewNormalAdd a Jenkins configuration with std library assert 04/16/2019 10:01 AM
2902GROMACSBugNewNormal2019.1 equilibration issue? (Intel 2018u3)04/30/2019 08:17 AM
2901GROMACSFeatureNewNormalDeclare external Resources in mdp / tpr files. Christian Blau03/27/2019 04:27 PMGROMACS - 2020
2899GROMACSTaskNewLowUpdate testing matrix versions for GROMACS 2020 releaseMark Abraham03/20/2019 01:52 PMGROMACS - 2020-infrastructure-stable
2898GROMACSTaskNewLowNaming common variables03/26/2019 11:46 PM
2897GROMACSBugNewNormalrotation/flex2 can still fail on cpu-only run on OpenCL build04/04/2019 06:24 PM
2896GROMACSFeatureNewNormalPython packaging04/03/2019 12:57 PMGROMACS - 2020
2895GROMACSTaskResolvedNormalgmxapi Output proxy establishes execution dependency.Eric Irrgang03/29/2019 05:18 PMGROMACS - 2020
2894GROMACSTaskResolvedNormalWrap importable Python code.Eric Irrgang05/09/2019 11:30 AMGROMACS - 2020
2893GROMACSTaskResolvedNormalIntegrate gmxapi Python packageEric Irrgang04/09/2019 12:20 PMGROMACS - 2020
2891GROMACSFeatureNewNormalPME/PP GPU communications 04/02/2019 05:30 PM
2890GROMACSFeatureNewNormalGPU Halo Exchange05/28/2019 12:23 PMGROMACS - 2020
2889GROMACSTaskNewNormalupdate grompp warnings for brevity, usefulness and actionabilityMark Abraham03/11/2019 02:15 PMGROMACS - 2020
2888GROMACSFeatureNewNormalCUDA Update and Constraints moduleArtem Zhmurov04/24/2019 11:32 PMGROMACS - 2020
2887GROMACSFeatureNewNormalCUDA version of Leap Frog algorithmArtem Zhmurov03/21/2019 10:36 PMGROMACS - 2020
2886GROMACSFeatureNewNormalCUDA version of SETTLEArtem Zhmurov03/13/2019 01:40 PMGROMACS - 2020
2885GROMACSFeatureNewNormalCUDA version of LINCSArtem Zhmurov03/12/2019 01:33 PMGROMACS - 2020
2884GROMACSBugIn ProgressNormalGROMACS can not reproduce properties with the GROMOS force fields06/02/2019 02:30 AM
2883GROMACSBugNewNormalessentialdynamics fail with Intel MPI03/08/2019 03:10 AM
2882GROMACSTaskNewNormalevaluate different storage layouts for GPU coordinates/changes/forcesSzilárd Páll03/07/2019 06:21 PM
2880GROMACSBugFeedback wantedLow2019.1 Multiple errors with AVX512 on testsMark Abraham06/10/2019 02:01 PMGROMACS - 2019.4
2877GROMACSTaskNewNormaluse gmx::Options moreMark Abraham04/02/2019 06:14 PMGROMACS - 2020
2876GROMACSBugNewNormal2019.1 make check fails on AVX and AVX2 (Intel 2018u3)Erik Lindahl03/08/2019 10:32 AM
2875GROMACSTaskAcceptedNormalSIMD version of the free-energy kernelBerk Hess03/05/2019 02:21 PMGROMACS - 2020
2874GROMACSTaskNewNormalRefactor Gromacs (cluster) neighborlist into separate moduleErik Lindahl02/28/2019 11:36 AM
2873GROMACSBugNewNormalSimple way to get last frame from trajectory02/28/2019 11:14 PM
2872GROMACSBugNewNormalgmx solvate and genion topology update02/27/2019 10:18 AM
2870GROMACSBugNewNormalGPU detection error message missing from the output03/05/2019 03:55 PM
2869GROMACSBugNewNormalGPU detection error only issued as a note to the log03/05/2019 04:09 PM
2867GROMACSBugNewHighabnormal box fluctuations on GPUs still thereBerk Hess03/05/2019 10:23 PM
2866GROMACSFeatureNewNormalAlternative non-bonded potentialsDavid van der Spoel03/05/2019 03:50 PMGROMACS - future
2864GROMACSTaskNewNormalBuilding incompatibiltiesBenson Muite02/19/2019 02:00 PM
2863GROMACSTaskNewNormalimprove PBC handling03/11/2019 04:28 PM
2862GROMACSBugIn ProgressNormalDivision by zero in restrained dihedrals04/01/2019 11:53 AMGROMACS - 2020
2860GROMACSFeatureNewNormalOption for outputting min/max coordinates in gmx traj02/08/2019 12:35 AM
2859GROMACSTaskFix uploadedNormalChange ArrayRef iterator type from pointer to std::iterator02/08/2019 11:00 PM
2857GROMACSTaskNewNormalClarify recommended function specifies (constexpr, noexcept, pure)02/04/2019 04:48 AM
2855GROMACSTaskNewNormalAllow compiling GROMACS without C compiler01/31/2019 08:44 PM
2854GROMACSBugNewNormalOnlineHelpUnitTests segfaults on s390x with gcc-9.0.1Paul Bauer02/04/2019 11:17 AM
2853GROMACSBugNewNormalEwaldUnitTests segfault on armv7hl with gcc-9.0.1Paul Bauer02/04/2019 05:34 PM
2852GROMACSBugNewLowthe in-tree regressiontest download can get out of sync with code01/30/2019 03:58 PM
2851Support PlatformsTaskNewNormaluninstall redmine checklist plugin01/30/2019 03:33 PM
2850GROMACSTaskIn ProgressNormalassess Raptor Talos for testingSzilárd Páll02/12/2019 01:14 PM
2848GROMACSBugNewNormalgmx make_ndx ignores last residue in case only CA's are present in GRO file01/30/2019 06:16 AM
2846GROMACSFeatureNewLowSet rpath in FindLibStdCpp.cmake02/02/2019 08:09 AM
2845GROMACSBugResolvedHighcritical box fluctuations when using GPUs 06/11/2019 11:51 AM
2840GROMACSFeatureNewNormalTest that functionality does not compile that is not supposed to.01/25/2019 02:35 PMGROMACS - future
2839GROMACSTaskNewNormalmake module and file naming consistent04/09/2019 04:27 PMGROMACS - 2020
2835GROMACSTaskNewNormalMatrix class constraint to upper or lower triangle02/07/2019 02:44 PM
2834GROMACSTaskNewNormalC++ matrix classesChristian Blau01/23/2019 12:19 PMGROMACS - 2020
2833GROMACSTaskNewNormalUpdate topology datastructuresPaul Bauer04/02/2019 12:39 PMGROMACS - 2020
2832GROMACSBugNewLowPaddedVector move operations brokenMark Abraham02/12/2019 03:22 PMGROMACS - 2020
2831GROMACSTaskNewNormalBump required version numbers of infrastructure for 2020Mark Abraham04/02/2019 03:04 PMGROMACS - 2020
2828GROMACSBugFeedback wantedNormalInstallation issue on Power 9 system with SIMD support01/18/2019 11:54 AM
2822GROMACSTaskAcceptedNormalMake nbnxn a moduleBerk Hess01/03/2019 03:07 PMGROMACS - 2020
2819GROMACSTaskIn ProgressLowfigure out latest clang + native CUDA that works on our hardware01/14/2019 01:30 PMGROMACS - 2020
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