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# Project Tracker Status Priority Subject Assignee Updated Target version
2600GROMACSBugNewHighcoul-lambdas turns off all coulombic interactions in system instead of the molecule specificed in the couple-moltype08/07/2018 06:50 PM
2580GROMACSBugNewHighsc-coul option yields different free energy estimate on a ligand with zero partial charge07/19/2018 06:49 PM
2577GROMACSBugNewHighpdb2gmx chainsep is brokenJoe Jordan08/08/2018 08:40 PMGROMACS - 2019
2573GROMACSBugNewHighDifferent mdp files describing the same change yield different free energy on the same trajectory07/19/2018 06:52 PM
2519GROMACSTaskNewHighImprove/remove PME OpenCL kernel barriers05/24/2018 06:05 PM
2515GROMACSTaskNewHighclFFT RocM compatibility problem05/23/2018 12:32 PMGROMACS - 2019
2502GROMACSBugFix uploadedHighnonbonded interactions go missing with GPU when an empty domain goes non-empty08/10/2018 03:42 PMGROMACS - 2018.3
2453GROMACSTaskNewHighPME OpenCL porting effortAleksei Iupinov07/30/2018 05:52 PMGROMACS - 2019
2229GROMACSFeatureNewHighFull Object Oriented Modularization of GROMACS MDRUN CodebaseMark Abraham08/11/2017 04:49 PMGROMACS - future
2188TNG trajectory libraryFeatureResolvedHighMasses missing from TNG specificationMagnus Lundborg06/13/2017 05:08 PM
2099Support PlatformsFeatureNewHighsharing accounts/credentials12/06/2017 08:11 PM
2071GROMACSTaskIn ProgressHighLow accuracy default settings yield incorrect liquid densitiesBerk Hess01/05/2018 03:32 PM
2054GROMACSFeatureAcceptedHighPME on GPUAleksei Iupinov07/30/2018 05:52 PMGROMACS - 2019
1782GROMACSFeatureNewHighOpenCL runtime/compiler version should be reported in the log...04/04/2016 07:41 PMGROMACS - future
2615GROMACSFeatureNewNormalSwitch to Python308/18/2018 03:35 AMGROMACS - 2019
2614GROMACSBugFix uploadedNormalmdrun can exit with atom moved to far in DD or PME due to too small domainsBerk Hess08/17/2018 05:18 PMGROMACS - 2018.3
2613GROMACSBugFix uploadedNormalPairlist buffer set incorrectly with BDBerk Hess08/17/2018 10:43 AMGROMACS - 2018.3
2612GROMACSBugIn ProgressNormalHostAllocationPolicy shares pointers and pinning setting through shared_ptr08/15/2018 08:45 PM
2611GROMACSBugNewNormalissues with gpu_utils-test with GMX_BUILD_UNITTESTS=OFF and on OSX08/14/2018 07:03 PM
2610GROMACSFeatureNewNormalAPI status object08/14/2018 04:48 PM
2608GROMACSTaskNewNormalRemove code duplication between OpenCL and CUDA08/14/2018 09:04 AM
2607GROMACSBugNewNormalGrompp becomes extremely slow when many pull groups are present08/11/2018 08:54 AM
2606GROMACSBugNewNormalFree Energy Calculation -- Function type Fourier Dih. Not implemented in ip_pert08/10/2018 01:48 AM
2605GROMACSFeatureNewNormalLibrary access to MD runner08/09/2018 02:29 PM
2604GROMACSBugResolvedNormalgmx msd appears broken in master08/13/2018 10:15 AMGROMACS - 2019
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