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# Project Tracker Status Priority Subject Assignee Updated Target version
2809GROMACSBugNewHighGROMACS 2019 RC1 build fails with GMX_BUILD_OWN_FFTW=ON12/15/2018 06:14 PMGROMACS - 2019-rc2
2637GROMACSBugNewHighgmx solvate tears apart molecules09/11/2018 07:43 PM
2600GROMACSBugNewHighcoul-lambdas turns off all coulombic interactions in system instead of the molecule specificed in the couple-moltype08/07/2018 06:50 PM
2580GROMACSBugFeedback wantedHighsc-coul option yields different free energy estimate on a ligand with zero partial charge09/11/2018 08:10 AM
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 barriers10/09/2018 03:19 AM
2453GROMACSTaskNewHighPME OpenCL porting effortAleksei Iupinov10/15/2018 05:14 PMGROMACS - 2019
2229GROMACSFeatureNewHighFull Object Oriented Modularization of GROMACS MDRUN CodebaseMark Abraham08/22/2018 05:03 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 Iupinov12/04/2018 08:37 PMGROMACS - 2020
1782GROMACSFeatureNewHighOpenCL runtime/compiler version should be reported in the log...04/04/2016 07:41 PMGROMACS - future
2807GROMACSBugNewNormalsingle-rank run reports intra simulation communication12/12/2018 07:48 PM
2806GROMACSFeatureNewNormalSIMD algorithms for ARM SVE // nobnonded cluster and otheres12/12/2018 05:52 PMGROMACS - 2020
2804GROMACSBugNewNormalCannot append trajectory after no append flag is used 12/12/2018 02:12 PM
2802GROMACSBugNewNormalForce counter contains up to few % time unaccounted for12/12/2018 07:14 PM
2798GROMACSBugNewNormalDefault mpi rank number fails when there are 16 cores and 3 gpusBerk Hess12/11/2018 10:11 PMGROMACS - 2020
2795GROMACSTaskNewNormalIncorporate regressiontests into core gromacs12/09/2018 10:02 AMGROMACS - 2020
2793GROMACSTaskNewNormalupdate performance checklistSzilárd Páll12/10/2018 11:51 AMGROMACS - 2019
2792GROMACSTaskNewNormalImprovement of PME gather and spread CUDA kernels12/05/2018 12:36 PM
2791GROMACSFeatureIn ProgressNormalImplement a module for lambda-dynamics simulations (lambda_site module)Thomas Ullmann12/05/2018 03:21 PMGROMACS - future
2789GROMACSBugNewNormalmdrun gives error about input when GPU hardware does not support PME12/04/2018 02:39 PM
2788GROMACSBugNewNormalPME will not run on AMD GPU with NVidia GPU present12/13/2018 04:35 PM
2787GROMACSTaskNewNormalallow passing flags to allocateDeviceBuffer12/03/2018 01:54 PM
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