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# Project Tracker Status Priority Subject Assignee Updated Target version
2491GROMACSFeatureNewNormalAllow constant bias AWH simulationsViveca Lindahl04/25/2018 04:04 PMGROMACS - 2018.2
2490GROMACSTaskNewNormalevaluate two-step communicatorsSzilárd Páll04/25/2018 02:52 PMGROMACS - 2019
2489GROMACSBugNewLowHandle mdp-option case "awh-nsamples-update = 0"Viveca Lindahl04/25/2018 04:04 PMGROMACS - 2018.2
2488GROMACSTaskNewNormaluse MPI non-blocking collectives to overlap pull comm04/25/2018 02:28 PM
2487GROMACSBugNewNormalAWH covering detection delayed in certain casesViveca Lindahl04/25/2018 11:56 AMGROMACS - 2018.2
2486GROMACSBugFix uploadedNormalIndexing issue in the pull codeBerk Hess04/24/2018 04:38 PMGROMACS - 2018.2
2484TNG trajectory libraryBugResolvedNormalPush release tags to githubMagnus Lundborg04/19/2018 02:33 PMTNG trajectory library - version 1
2483GROMACSBugNewLowgmx dump writes mdp files that can not be parsed by gromppPaul Bauer04/19/2018 03:10 PM
2482GROMACSBugFeedback wantedNormalAtoms/molecules in freezegrps move and system crashes04/25/2018 02:36 PM
2481GROMACSTaskNewLowgmx check -m writes latex methods section, but has not been kept up to date04/17/2018 04:52 PMGROMACS - 2019
2480GROMACSBugNewNormalpdb2gmx does not protonate correctly for united-atom Gromos04/16/2018 06:19 PM
2478GROMACSTaskNewLowavoid use of getenv in static initialization04/13/2018 11:57 AM
2475GROMACSTaskNewNormalmake OpenCL 1st class-citizen in the build system04/10/2018 04:03 PMGROMACS - 2019
2474GROMACSBugNewNormalDouble free/corruption for gmx solvate when topol.tpr explicitly listed as input argument and gmx built with mpi04/17/2018 05:34 PMGROMACS - 2018.2
2473GROMACSBugNewNormalmdrun sometimes stalls due to large coordinates with no constraints04/04/2018 10:15 PM
2470GROMACSBugFeedback wantedNormalmemory leak in OpenCL runs withAleksei Iupinov04/20/2018 02:07 PMGROMACS - 2018.3
2469GROMACSTaskNewNormalimplement GPU timer reduction for reporting03/27/2018 05:08 PM
2468GROMACSBugNewLowincorrect GPU timing reported with OpenCL and domain decomposition03/28/2018 05:17 PMGROMACS - 2018.2
2466GROMACSBugNewNormalCompile error on Mac with CUDA support04/11/2018 09:57 AM
2464GROMACSTaskNewNormalGPU performance goals overview03/26/2018 10:42 AM
2463GROMACSTaskNewLowPME GPU decomposition03/26/2018 10:42 AM
2462GROMACSTaskNewNormalconsider adding STL misuse tests03/23/2018 01:23 AM
2461GROMACSTaskNewNormalExpose more info from t_atom to trajectory analysis frameworkJoe Jordan03/22/2018 03:07 PMGROMACS - future
2460GROMACSBugNewNormalAllow inclusion of user libraries through CMake cache variables03/28/2018 08:47 PM
2456GROMACSTaskNewNormalAdd a pull module external potential tests03/15/2018 03:02 PM
2454GROMACSTaskNewNormalOpenCL infrastructure improvements03/14/2018 08:51 PMGROMACS - 2019
2453GROMACSTaskNewNormalPME OpenCL porting effortAleksei Iupinov03/27/2018 01:56 PMGROMACS - 2019
2452GROMACSTaskIn ProgressNormalReduce data dependencies in mdrun algorithmsBerk Hess03/14/2018 08:47 PM
2451GROMACSFeatureNewNormalLinear virtual sites with fixed distanceDavid van der Spoel03/19/2018 09:16 AMGROMACS - 2019
2450GROMACSBugNewNormalOpenCL runtime version check missingSzilárd Páll03/14/2018 08:52 PMGROMACS - 2019
2449GROMACSTaskNewNormalinvestigate: unit tests with OpenCL consume a lot of memoryAleksei Iupinov03/14/2018 08:52 PM
2448GROMACSTaskAcceptedNormalshould mdrun -multidir permit only one directory?03/21/2018 12:10 PM
2445GROMACSTaskNewNormalDecide if/how to check for incompatible user input to mdrun for bonds and vsites03/13/2018 02:02 PM
2442GROMACSTaskNewNormalPort gmx saxs and gmx sans to c++Joe Jordan03/13/2018 11:02 AMGROMACS - future
2438GROMACSTaskIn ProgressNormalbump OpenCL requirement to 1.2Szilárd Páll03/28/2018 05:32 PMGROMACS - 2019
2435GROMACSTaskNewNormalidentify and note about/tune task offload in GPU-bound runs03/02/2018 04:08 PM
2429GROMACSFeatureNewNormalAdd option of periodic chain topology to pdb2gmx03/10/2018 01:01 PM
2428GROMACSFeatureNewNormalAdd way of selecting interactive arguments of pdb2gmx by string rather than an index02/27/2018 06:28 PM
2427GROMACSBugNewNormalgmx select gives syntax error for selection involving evaluating simple arithmetic expression02/27/2018 05:15 PM
2426GROMACSFeatureIn ProgressNormalTrajectory analysis tool for functional mode analysis by partial least squares fitting (PLS-FMA)03/21/2018 12:17 PMGROMACS - 2019
2425GROMACSTaskNewNormaltesting multisim with multiple ranks per simulationMark Abraham03/02/2018 12:42 PMGROMACS - 2019
2423GROMACSTaskNewNormalmodernize constraints codeMark Abraham04/16/2018 09:29 AMGROMACS - 2019
2422GROMACSTaskNewNormalwrite C kernel for tables in Verlet scheme02/26/2018 01:38 PM
2421GROMACSBugFix uploadedNormalEwaldUnitTests and SimdUnitTests fail on ppc64le with gcc-8.0.1Mark Abraham03/28/2018 02:59 PMGROMACS - 2018.2
2420GROMACSBugNewNormalOpenCL implementation not doing device sanity checks04/24/2018 09:29 AMGROMACS - 2018.2
2417GROMACSBugNewLowPhysical validation tests fail with default installation02/20/2018 03:20 PMGROMACS - 2019
2412GROMACSTaskNewNormalattempt to do better FFTW planning 03/15/2018 05:01 PM
2408GROMACSTaskNewNormaldevice busy error with CC 2.0 and 6.1 in the same run03/20/2018 12:52 PM
2404GROMACSBugNewNormalEnabling floating point exceptions makes some tests fail02/13/2018 11:38 AM
2402GROMACSTaskNewNormalPME kernels general performance improvements03/26/2018 10:41 AMGROMACS - future
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