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alexxy/gromacs.git
2019-10-15 Szilárd PállTrigger synchronizer when local forces are ready commit | commitdiff | tree | snapshot
2019-10-15 Alan GrayPME/PP GPU Pimpl Class and GPU->CPU Communication for... commit | commitdiff | tree | snapshot
2019-10-15 Artem ZhmurovFix the single-GPU update-constraints commit | commitdiff | tree | snapshot
2019-10-15 M. Eric IrrgangFix logic error in StaticSourceManager intialization. commit | commitdiff | tree | snapshot
2019-10-15 Szilárd PállLink GPU coordinate producer and consumer tasks commit | commitdiff | tree | snapshot
2019-10-15 M. Eric IrrgangAdd note about libpython requirement to gmxapi install... commit | commitdiff | tree | snapshot
2019-10-15 M. Eric IrrgangAdd generic check for gmxapi support library to Python... commit | commitdiff | tree | snapshot
2019-10-15 Berk HessConst correctness for genhydro commit | commitdiff | tree | snapshot
2019-10-15 Paul BauerFix bug in preprocessing commit | commitdiff | tree | snapshot
2019-10-14 Artem ZhmurovAdd separate constructor to StatePropagatorDataGpu... commit | commitdiff | tree | snapshot
2019-10-14 M. Eric IrrgangFix logic error in gmxapi.version.api_is_at_least(). commit | commitdiff | tree | snapshot
2019-10-13 Mark AbrahamEnsure environment variable use does not give warnings commit | commitdiff | tree | snapshot
2019-10-13 Szilárd PállEnable StatePropagatorGpuData for force transfers commit | commitdiff | tree | snapshot
2019-10-13 M. Eric IrrgangUpdate sample_restraint documentation entry points. commit | commitdiff | tree | snapshot
2019-10-13 Szilárd PállMove buffer ops / PME F reduction flags into StepWorkload commit | commitdiff | tree | snapshot
2019-10-13 M. Eric IrrgangTest float and int gmxapi parameter updates. commit | commitdiff | tree | snapshot
2019-10-13 M. Eric IrrgangUsability updates for gmxapi/docs Docker image. commit | commitdiff | tree | snapshot
2019-10-12 Artem ZhmurovCentralize management of forces ready on GPU event commit | commitdiff | tree | snapshot
2019-10-12 Artem ZhmurovChange copy mode to Async in PME only rank commit | commitdiff | tree | snapshot
2019-10-12 M. Eric IrrgangImprove parameter typing for gmxapi simulation paramete... commit | commitdiff | tree | snapshot
2019-10-12 Berk HessAdd class FixedCapacityVector commit | commitdiff | tree | snapshot
2019-10-12 Artem ZhmurovCentralize management of coordinates ready on GPU event commit | commitdiff | tree | snapshot
2019-10-11 Artem ZhmurovWrong locality was used when ignoring the PME force... commit | commitdiff | tree | snapshot
2019-10-11 Paul BauerAdd helper to reuse generated TPR files in testing commit | commitdiff | tree | snapshot
2019-10-10 Szilárd PállMigrate code to using SimulationWorkload flags commit | commitdiff | tree | snapshot
2019-10-10 Szilárd PállRemove incorrect GPU task dependency commit | commitdiff | tree | snapshot
2019-10-10 Szilárd PállFix conditions for building StatePropagatorDataGpu commit | commitdiff | tree | snapshot
2019-10-10 Szilárd PállConstruct a struct with development feature flags commit | commitdiff | tree | snapshot
2019-10-10 Szilárd PállPass list of EventSynchronizers to GPU reduction commit | commitdiff | tree | snapshot
2019-10-10 Paul BauerBasic population of simulation workload commit | commitdiff | tree | snapshot
2019-10-10 Artem ZhmurovAdd management for velocities and forces copy events... commit | commitdiff | tree | snapshot
2019-10-10 Szilárd PállAdd management for coordinates copy events into StatePr... commit | commitdiff | tree | snapshot
2019-10-09 Szilárd PállAdd GPU event to mark that coordinate update is done commit | commitdiff | tree | snapshot
2019-10-08 Berk HessMake nbnxm a proper module commit | commitdiff | tree | snapshot
2019-10-08 Berk HessSimplify ewald_LRcorrection() call signature commit | commitdiff | tree | snapshot
2019-10-08 M. Eric IrrgangUpdate handling of CMake policy 68.. commit | commitdiff | tree | snapshot
2019-10-08 Artem ZhmurovFix for the recent nightly failure commit | commitdiff | tree | snapshot
2019-10-08 Prashanth KanduriFused two if branches with the same conditional commit | commitdiff | tree | snapshot
2019-10-07 Artem ZhmurovPass the GPU streams to StatePropagatorDataGpu constructor commit | commitdiff | tree | snapshot
2019-10-07 Mark AbrahamExtend GPU traits class commit | commitdiff | tree | snapshot
2019-10-07 Artem ZhmurovClean up the comments sections in Update-Constrain commit | commitdiff | tree | snapshot
2019-10-07 M. Eric IrrgangUpdate rpath comments in src/api/cpp commit | commitdiff | tree | snapshot
2019-10-07 Artem ZhmurovFix a bug in GPU halo exchange initialization commit | commitdiff | tree | snapshot
2019-10-04 Mark AbrahamFix that tests intended for multiple ranks run that way commit | commitdiff | tree | snapshot
2019-10-04 Berk HessFix random energy and virial with PME on GPU on a PME... commit | commitdiff | tree | snapshot
2019-10-03 Artem ZhmurovFix the bug with offloading the PME-only ranks to GPU commit | commitdiff | tree | snapshot
2019-10-03 Berk HessFix GPU atom data init timer issue commit | commitdiff | tree | snapshot
2019-10-03 Berk HessUse gmx::Range for iZones in pair search commit | commitdiff | tree | snapshot
2019-10-03 M. Eric IrrgangBuild gmxapi documentation in main GROMACS documentation. commit | commitdiff | tree | snapshot
2019-10-03 Berk HessFix setting maxNumColumns in Nbnxm::GridSet commit | commitdiff | tree | snapshot
2019-10-02 Carsten KutznerUpdate the www link to the Doxygen documentation in... commit | commitdiff | tree | snapshot
2019-10-02 Artem ZhmurovEliminate D2D copy in update constraints commit | commitdiff | tree | snapshot
2019-10-02 Berk HessFix harmless OpenMP write race commit | commitdiff | tree | snapshot
2019-10-02 Paul BauerFix failures in clang-8 nightly build commit | commitdiff | tree | snapshot
2019-10-02 Mark AbrahamImprove PME testing commit | commitdiff | tree | snapshot
2019-10-01 Berk HessUse gmx::Range in domdec commit | commitdiff | tree | snapshot
2019-10-01 Artem ZhmurovStatePropagatorDataGpu object to manage GPU forces... commit | commitdiff | tree | snapshot
2019-10-01 Mark AbrahamMove GPU task assignment commit | commitdiff | tree | snapshot
2019-10-01 Mark AbrahamFix icc warnings commit | commitdiff | tree | snapshot
2019-10-01 Berk HessCompletely remove charge groups commit | commitdiff | tree | snapshot
2019-10-01 Berk HessSimplify DD exclusion counting commit | commitdiff | tree | snapshot
2019-10-01 Christoph Junghanscmake: add missing header to legacy api commit | commitdiff | tree | snapshot
2019-10-01 Pascal MerzOutput correct kinetic at last step (modular simulator) commit | commitdiff | tree | snapshot
2019-10-01 Mark AbrahamRemoved dependency on commrec of mdrun setup commit | commitdiff | tree | snapshot
2019-09-30 Carsten KutznerMove ForceProviders class into the gmx namespace commit | commitdiff | tree | snapshot
2019-09-30 Mark AbrahamMake a builder for DD commit | commitdiff | tree | snapshot
2019-09-30 Szilárd PállMove PME GPU program building later commit | commitdiff | tree | snapshot
2019-09-30 Berk HessRemove charge group code from forcerec commit | commitdiff | tree | snapshot
2019-09-30 Carsten KutznerCorrected a few typos in documentation and comments commit | commitdiff | tree | snapshot
2019-09-30 Szilárd PállMake the wait on PME GPU results conditional commit | commitdiff | tree | snapshot
2019-09-29 Berk HessIncrease ti3p5 minimization test tolerance commit | commitdiff | tree | snapshot
2019-09-28 Berk HessFix CG minimization with DD commit | commitdiff | tree | snapshot
2019-09-27 Artem ZhmurovSlight improvements to GPU update/constraints initializ... commit | commitdiff | tree | snapshot
2019-09-27 Szilárd PállSwitch GPU update off by default commit | commitdiff | tree | snapshot
2019-09-27 Artem ZhmurovIntroduce stream management to GPU Update-Constraints commit | commitdiff | tree | snapshot
2019-09-27 Berk HessExtract gmx::Range commit | commitdiff | tree | snapshot
2019-09-27 Berk HessFix location of angle in vsite figure commit | commitdiff | tree | snapshot
2019-09-27 Mark AbrahamImprove MiMiC test implementation commit | commitdiff | tree | snapshot
2019-09-27 Mark AbrahamStop checking CUDA version reported by nvcc commit | commitdiff | tree | snapshot
2019-09-27 Mark AbrahamFix gro file output with index groups commit | commitdiff | tree | snapshot
2019-09-27 Mark AbrahamAdd tests for editconf file conversion with indexing commit | commitdiff | tree | snapshot
2019-09-27 Mark AbrahamRemove leftover support for pre-9.0 CUDA commit | commitdiff | tree | snapshot
2019-09-26 Berk HessMade mdrun appending work again commit | commitdiff | tree | snapshot
2019-09-26 Paul BauerRevert "Remove update flag again" commit | commitdiff | tree | snapshot
2019-09-25 Szilárd PállMerge remote-tracking branch 'origin/release-2019' commit | commitdiff | tree | snapshot
2019-09-25 Paul BauerGROMACS 2020 first beta release commit | commitdiff | tree | snapshot
2019-09-25 Mark AbrahamFix log file flag output commit | commitdiff | tree | snapshot
2019-09-24 Paul BauerAdd test for noappend commit | commitdiff | tree | snapshot
2019-09-24 Mark AbrahamFix no-MPI CUDA build commit | commitdiff | tree | snapshot
2019-09-24 Mark AbrahamMerge "Merge branch release-2019 into master" commit | commitdiff | tree | snapshot
2019-09-24 Magnus LundborgAdd .part0001. to files from the first run with -noappend. commit | commitdiff | tree | snapshot
2019-09-24 Paul BauerMerge branch release-2019 into master commit | commitdiff | tree | snapshot
2019-09-24 Paul BauerRead in TPR char buffer as vector commit | commitdiff | tree | snapshot
2019-09-24 Mark AbrahamFix clang unused-function warnings commit | commitdiff | tree | snapshot
2019-09-24 Berk HessRemove obsolete dd_get_ns_ranges() commit | commitdiff | tree | snapshot
2019-09-24 Paul BauerAdd release notes for modular simulator commit | commitdiff | tree | snapshot
2019-09-23 Paul BauerFix issues when PME rank request becomes negative commit | commitdiff | tree | snapshot
2019-09-23 Berk HessLimit Zen nbnxm kernel choice to Zen 1 commit | commitdiff | tree | snapshot
2019-09-23 Pascal MerzParrinello-Rahman for md-vv commit | commitdiff | tree | snapshot
2019-09-23 Pascal MerzParrinello-Rahman barostat for modular simulator (leap... commit | commitdiff | tree | snapshot
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