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# Project Tracker Status Priority Subject Assignee Updated Target version
2934GROMACSFeatureNewNormalGPU X Buffer ops04/25/2019 05:02 PMGROMACS - 2020
2933GROMACSTaskNewNormalConvert walls to a ForceProvider04/25/2019 02:43 PM
2932GROMACSFeatureAcceptedNormalFailed to realloc error04/25/2019 12:38 PM
2931GROMACSFeatureNewNormalTables in Verlet kernels04/24/2019 06:12 PM
2930GROMACSFeatureNewNormalLimited range for reference group detection in cylinder pulling04/24/2019 05:13 PM
2928GROMACSFeatureNewNormalAdd ability to use expression "count of ATOM_EXPR" in selection statements.04/16/2019 04:52 PM
2927GROMACSBugNewLowCMake 3.14.1 fails to properly run gmxDetectCpu.make 04/25/2019 11:21 AMGROMACS - 2019.3
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
2920GROMACSBugBlocked, need infoNormalgrompp writes tpr value of nstcalcenergy different than mdp value04/16/2019 09:56 AM
2919GROMACSTaskNewNormalC++ style guidelines for namespace use04/15/2019 01:21 PM
2917GROMACSBugNewLowdo_steep segfaults with non-interacting systemMark Abraham04/09/2019 03:51 PMGROMACS - 2019.3
2916GROMACSTaskNewNormalDecide future of symtabPaul Bauer04/15/2019 05:56 PMGROMACS - 2020-beta1
2915GROMACSFeatureNewNormalGPU direct communications04/02/2019 06:19 PM
2912GROMACSTaskIn ProgressNormalC++ extension module for Python bindingsEric Irrgang04/03/2019 08:36 PM
2911GROMACSFeatureNewLowgrompp cryptic error messagePaul Bauer03/29/2019 10:51 AM
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
2903GROMACSBugFeedback wantedNormalgmx wham doesn't compute profile with pull=angle-axis03/25/2019 01:26 PMGROMACS - 2020
2902GROMACSBugNewNormal2019.1 equilibration issue? (Intel 2018u3)04/18/2019 02:07 PM
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 Irrgang04/24/2019 04:00 PMGROMACS - 2020
2893GROMACSTaskResolvedNormalIntegrate gmxapi Python packageEric Irrgang04/09/2019 12:20 PMGROMACS - 2020
2891GROMACSFeatureNewNormalPME/PP GPU communications 04/02/2019 05:30 PM
2890GROMACSFeatureNewNormalGPU Halo Exchange03/13/2019 11:55 AMGROMACS - 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 fields03/11/2019 10:58 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 Abraham04/09/2019 02:47 PMGROMACS - 2019.3
2879GROMACSBugNewHighVirial and pressure completely incorrect with SHAKEMark Abraham03/20/2019 04:01 PM
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
2861GROMACSTaskResolvedNormalimport an implementation of c++17 std::optionalMark Abraham04/18/2019 02:30 PMGROMACS - 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
2845GROMACSBugIn ProgressHighcritical box fluctuations when using GPUs 04/15/2019 11:32 AMGROMACS - 2019.3
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
2818GROMACSTaskNewNormalbonded GPU kernel fusion03/08/2019 06:21 PM
2817GROMACSFeatureAcceptedNormalGPU X/F buffer ops03/14/2019 12:24 PM
2816GROMACSFeatureNewNormalDevice-side update&constraits, buffer ops and multi-gpu commsAlan Gray03/22/2019 05:11 PMGROMACS - 2020
2806GROMACSFeatureNewNormalSIMD algorithms for ARM SVE // nobnonded cluster and otheres12/12/2018 05:52 PMGROMACS - 2020
2798GROMACSBugNewNormalDefault mpi rank number fails when there are 16 cores and 3 gpusBerk Hess12/11/2018 10:11 PMGROMACS - 2020
2796GROMACSTaskNewLowclarify what mdrun -cpt means01/03/2019 02:09 PM
2795GROMACSTaskNewNormalIncorporate regressiontests into core gromacs02/13/2019 08:17 PMGROMACS - 2020
2792GROMACSTaskNewNormalImprovement of PME gather and spread CUDA kernels01/07/2019 11:56 AM
2791GROMACSFeatureIn ProgressNormalImplement a module for lambda-dynamics simulations (lambda_site module)Thomas Ullmann03/01/2019 01:36 AMGROMACS - future
2788GROMACSBugNewNormalPME will not run on AMD GPU with NVidia GPU present01/03/2019 02:24 PM
2787GROMACSTaskNewNormalallow passing flags to allocateDeviceBuffer12/03/2018 01:54 PM
2785GROMACSBugNewNormalInconsistent and erroneous behaviour of trjconv when writing a partial TNG11/30/2018 02:36 PM
2774GROMACSFeatureNewNormalRefactor shell code into its own integratorDavid van der Spoel03/29/2019 05:20 PMGROMACS - 2020
2773GROMACSTaskNewNormalimprove GPU error handling and make such handling uniform across modules11/21/2018 10:28 AMGROMACS - 2020
2771GROMACSTaskNewNormalSize independent Hessian for normal mode analysis12/08/2018 08:06 PMGROMACS - 2020
2770GROMACSTaskNewNormalchange branch maintenance policy11/29/2018 02:51 PMGROMACS - 2020
2767GROMACSBugNewNormalgrompp warns about md + FEP even for fully coupled states11/19/2018 11:41 AMGROMACS - 2020
2766GROMACSTaskIn ProgressNormalImprove hardware option selectionKevin Boyd12/20/2018 06:40 PMGROMACS - 2020
2764GROMACSTaskNewNormalgmxapi version updates for post release-2019Eric Irrgang11/21/2018 12:53 PM
2763GROMACSBugNewNormalGMXAPI layout / grouping in development docs "modules" page12/14/2018 12:49 PMGROMACS - future
2762GROMACSBugIn ProgressNormalGPU isue with Ubuntu 18.04 / glibc 2.27 (?) and CUDA 9.2/1004/24/2019 01:07 PMGROMACS - 2019.3
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