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alexxy/gromacs.git
2019-12-27 Artem ZhmurovClean bad auto-format in decidegpuusage doxygen comments commit | commitdiff | tree | snapshot
2019-12-27 M. Eric IrrgangUpdate intersphinx configuration. commit | commitdiff | tree | snapshot
2019-12-26 M. Eric IrrgangSet Sphinx default role. commit | commitdiff | tree | snapshot
2019-12-26 M. Eric IrrgangFix external web link. commit | commitdiff | tree | snapshot
2019-12-26 M. Eric IrrgangClean up Sphinx interpreted text in the default role. commit | commitdiff | tree | snapshot
2019-12-23 Paul BauerAdd files for Gitlab CI commit | commitdiff | tree | snapshot
2019-12-20 Alan GrayAdd user guide doc for GPU buffer ops and comms env... commit | commitdiff | tree | snapshot
2019-12-20 Paul BauerFix wrong header in release notes commit | commitdiff | tree | snapshot
2019-12-20 Paul BauerGROMACS 2020 release candidate commit | commitdiff | tree | snapshot
2019-12-20 Szilárd PállEnable buffer ops when GMX_GPU_DD_COMMS is set commit | commitdiff | tree | snapshot
2019-12-19 Paul BauerFix regressiontests failing with ctest commit | commitdiff | tree | snapshot
2019-12-19 Alan GrayRelease note for GPU direct communications commit | commitdiff | tree | snapshot
2019-12-19 Alan GrayFix PME tuning issue when PME-PP communications are... commit | commitdiff | tree | snapshot
2019-12-19 Szilárd PállPP-PME load balancing improvements commit | commitdiff | tree | snapshot
2019-12-19 M. Eric IrrgangAdd issue tracking for deprecations. commit | commitdiff | tree | snapshot
2019-12-19 Berk HessFix mdrun appending invalidating energy files commit | commitdiff | tree | snapshot
2019-12-18 Alan GrayFix conditional on assertion for combining GPU Update... commit | commitdiff | tree | snapshot
2019-12-18 Szilárd PállAllow x D2H to overlap with GPU force compute commit | commitdiff | tree | snapshot
2019-12-18 M. Eric IrrgangUpdate reference to uncrustify and clang-format. commit | commitdiff | tree | snapshot
2019-12-18 Berk HessChange grompp decoupling SD warning to note commit | commitdiff | tree | snapshot
2019-12-18 Paul BauerAdd ability to set OMP and tMPI thread for ctest commit | commitdiff | tree | snapshot
2019-12-18 Paul BauerIgnore build host for CI builds commit | commitdiff | tree | snapshot
2019-12-17 Berk HessAdd note for COM removal with position restraints commit | commitdiff | tree | snapshot
2019-12-17 Artem ZhmurovClean-up buffer-ops CUDA kernels commit | commitdiff | tree | snapshot
2019-12-17 Paul BauerTest parallel mpi only with openmp commit | commitdiff | tree | snapshot
2019-12-17 Szilárd PállComment the use of waitCoordinatesCopiedToDevice commit | commitdiff | tree | snapshot
2019-12-17 Paul BauerSet correct dependency for doc build on gmxapi commit | commitdiff | tree | snapshot
2019-12-17 Paul BauerFix compiler warning about extra ; commit | commitdiff | tree | snapshot
2019-12-17 Szilárd PállAdd wallcycle counting to StatePropagatorDataGpu commit | commitdiff | tree | snapshot
2019-12-17 M. Eric IrrgangBe more specific with clang-format suggestions. commit | commitdiff | tree | snapshot
2019-12-17 Pascal MerzFix exact continuation modular simulator commit | commitdiff | tree | snapshot
2019-12-15 Christian BlauFix densityfitting stalling and energies commit | commitdiff | tree | snapshot
2019-12-14 Mark AbrahamSimplify gmxapi RPATH handling commit | commitdiff | tree | snapshot
2019-12-13 Artem ZhmurovClean up outdated comments in md.cpp commit | commitdiff | tree | snapshot
2019-12-12 Pascal MerzTest for expected output files commit | commitdiff | tree | snapshot
2019-12-12 Pascal MerzFix final configuration writing for modular simulator commit | commitdiff | tree | snapshot
2019-12-12 Szilárd PállAllow overlapping CPU force H2D with compute commit | commitdiff | tree | snapshot
2019-12-12 Christian BlauDensityfitting - enforce similarity increase with adapt... commit | commitdiff | tree | snapshot
2019-12-12 Artem ZhmurovAllow using GPU update with DD and update groups commit | commitdiff | tree | snapshot
2019-12-11 Artem ZhmurovEnable most of the pulling flavors with GPU update commit | commitdiff | tree | snapshot
2019-12-11 Mark AbrahamDocument DOMAINDECOMP(cr) correctly commit | commitdiff | tree | snapshot
2019-12-11 Artem ZhmurovClarify what setting zero to some output mdp options... commit | commitdiff | tree | snapshot
2019-12-11 M. Eric Irrganggmxapi landing page update. commit | commitdiff | tree | snapshot
2019-12-11 M. Eric Irrganggmxapi documentation readability improvements. commit | commitdiff | tree | snapshot
2019-12-11 M. Eric Irrganggmxapi documentation formatting improvements. commit | commitdiff | tree | snapshot
2019-12-10 Artem ZhmurovSet GPU update to false in case of a rerun commit | commitdiff | tree | snapshot
2019-12-07 M. Eric IrrgangFinalize gmxapi 0.1 commit | commitdiff | tree | snapshot
2019-12-06 Mark AbrahamAvoid 386 O3 codegen bug commit | commitdiff | tree | snapshot
2019-12-06 M. Eric IrrgangAdd notes on MPI with gmxapi Python package. commit | commitdiff | tree | snapshot
2019-12-06 Artem ZhmurovPass array ref instead of casting to basic array in... commit | commitdiff | tree | snapshot
2019-12-06 Mark AbrahamProvide more feedback when listed forces tests fail commit | commitdiff | tree | snapshot
2019-12-06 M. Eric Irrganggmxapi Python package usage prose. commit | commitdiff | tree | snapshot
2019-12-06 M. Eric IrrgangImprove pytest fixtures for directory management. commit | commitdiff | tree | snapshot
2019-12-05 Christian BlauRelax cross-correlation test precision commit | commitdiff | tree | snapshot
2019-12-04 Mark AbrahamAdded OpenCL build to release matrix commit | commitdiff | tree | snapshot
2019-12-04 Mark AbrahamRemoved unnecessary link_directories command for gtest commit | commitdiff | tree | snapshot
2019-12-04 Christian BlauRemove cutoff-scheme group from default mdout.mdp output commit | commitdiff | tree | snapshot
2019-12-03 Paul BauerThird beta release of GROMACS 2020 commit | commitdiff | tree | snapshot
2019-12-03 Paul BauerRevert "Enable GPU update with DD when GPU comm feature... commit | commitdiff | tree | snapshot
2019-12-03 Paul BauerFix nightly build by correctly defining several commit | commitdiff | tree | snapshot
2019-12-03 Alan GrayEnable GPU update with DD when GPU comm features are... commit | commitdiff | tree | snapshot
2019-12-02 Paul BauerSet update to run on GPU by default if possible commit | commitdiff | tree | snapshot
2019-12-02 Jonathan VincentHeuristics for switching between CUDA spread/gather... commit | commitdiff | tree | snapshot
2019-12-02 Berk HessAdd check for coupled constraints for CUDA update commit | commitdiff | tree | snapshot
2019-12-02 Berk HessExtract LINCS CUDA helper functions commit | commitdiff | tree | snapshot
2019-12-02 Christian BlauRelax test tolerance for cross correlation measure... commit | commitdiff | tree | snapshot
2019-12-01 Paul BauerUse DOI for citing in reference manual section commit | commitdiff | tree | snapshot
2019-12-01 Mark AbrahamFurther improve taskassignment exception handling commit | commitdiff | tree | snapshot
2019-11-29 Berk HessMerge "Merge branch release-2019 into release-2020... commit | commitdiff | tree | snapshot
2019-11-29 Paul BauerFix unaligned access with AVX512 commit | commitdiff | tree | snapshot
2019-11-29 Paul BauerFix build error without thread or regular mpi commit | commitdiff | tree | snapshot
2019-11-29 Artem ZhmurovPrint OpenCL error info in case of failed assertion... commit | commitdiff | tree | snapshot
2019-11-29 Mark AbrahamMerge branch release-2019 into release-2020 commit | commitdiff | tree | snapshot
2019-11-29 Artem ZhmurovMake Leap-Frog CUDA kernel selection safer commit | commitdiff | tree | snapshot
2019-11-29 Artem ZhmurovRename some variables in GPU Update commit | commitdiff | tree | snapshot
2019-11-28 Paul BauerCheck for using correct hwloc headers and runtime commit | commitdiff | tree | snapshot
2019-11-28 Artem ZhmurovClear device force buffer if it was reallocated commit | commitdiff | tree | snapshot
2019-11-28 Berk HessUpdate documenation for NPT GPU update commit | commitdiff | tree | snapshot
2019-11-28 Artem ZhmurovFix pressure coupling with GPU update commit | commitdiff | tree | snapshot
2019-11-28 Paul BauerFix postsubmit commit | commitdiff | tree | snapshot
2019-11-28 Berk HessRemove assertion failure in AWH without initial stage commit | commitdiff | tree | snapshot
2019-11-28 Berk HessFix bug with GPU pressure scaling at non T-scaling... commit | commitdiff | tree | snapshot
2019-11-28 Christian BlauFix check-pointing for density guided simulations commit | commitdiff | tree | snapshot
2019-11-27 Artem ZhmurovCombine two booleans in md loop commit | commitdiff | tree | snapshot
2019-11-27 Mark AbrahamDisable GPU PME-PP communication with mdrun -pmefft cpu commit | commitdiff | tree | snapshot
2019-11-27 Artem ZhmurovAdd method for coordinates scaling into GPU update... commit | commitdiff | tree | snapshot
2019-11-27 M. Eric IrrgangAdd gmxapi_extension tests to 'tests' target. commit | commitdiff | tree | snapshot
2019-11-27 Alan GrayEvent-based Dependency for GPU Force Halo Exchange commit | commitdiff | tree | snapshot
2019-11-26 Mark AbrahamImprove handling of task-assignment exceptions commit | commitdiff | tree | snapshot
2019-11-26 Mark AbrahamRelax tolerance for bd tests commit | commitdiff | tree | snapshot
2019-11-26 Alan GrayBug fix for nonlocal D2H coordinate transfer synchroniz... commit | commitdiff | tree | snapshot
2019-11-26 Paul BauerFix unused variable warning in ewald code commit | commitdiff | tree | snapshot
2019-11-26 Berk HessFix issues with AWH with periodic pulling commit | commitdiff | tree | snapshot
2019-11-25 Alan GrayFix race condition in GPU X halo exchange with GPU... commit | commitdiff | tree | snapshot
2019-11-25 Christian BlauFix duplicate CONNECT records in pdb files commit | commitdiff | tree | snapshot
2019-11-25 Artem ZhmurovUse same matrix for Parrinello-Rahman and Berendsen... commit | commitdiff | tree | snapshot
2019-11-25 Christian BlauRead mrc density map format with all endianesses. commit | commitdiff | tree | snapshot
2019-11-25 Christian BlauCheck mrc header for sanity commit | commitdiff | tree | snapshot
2019-11-25 Artem ZhmurovFix index mapping issue with LINCS on GPU commit | commitdiff | tree | snapshot
2019-11-24 Christian BlauInMemorySerializer with endianess swap. commit | commitdiff | tree | snapshot
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