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Template X buffer ops on setFillerCoords
[alexxy/gromacs.git] / src /
2020-01-19 Szilárd PállTemplate X buffer ops on setFillerCoords tree | commitdiff
2020-01-17 Mark AbrahamRegularize nbnxm module doxygen tree | commitdiff
2020-01-16 Mark AbrahamMake nbnxm headers more self-contained tree | commitdiff
2020-01-15 Paul BauerUpdate nonstd::optional tree | commitdiff
2020-01-15 Paul BauerAllow access to optional outside libgromacs tree | commitdiff
2020-01-15 Christoph Junghanscmake: install pbc.h for GMX_INSTALL_LEGACY_API tree | commitdiff
2020-01-13 Berk HessAvoid unnecessary exclusion generation in DD tree | commitdiff
2020-01-10 Paul BauerFix compiler warnings on windows tree | commitdiff
2020-01-09 Artem ZhmurovChange signature of the setPbc(...) method in update... tree | commitdiff
2020-01-09 Artem ZhmurovMake PBC type enumeration into PbcType enum class tree | commitdiff
2020-01-09 Mark AbrahamClean up ewald module internals tree | commitdiff
2020-01-09 Alan GrayFix memory address bug in GPU PME coordinate address... tree | commitdiff
2020-01-09 Mark AbrahamSplit lines with many copyright years tree | commitdiff
2020-01-07 M. Eric IrrgangRemove stray "to do". tree | commitdiff
2020-01-07 Paul BauerMerge branch origin/release-2020 into master tree | commitdiff
2020-01-07 Erik LindahlWrite TPR body as opaque XDR data in big-endian format tree | commitdiff
2020-01-07 Paul BauerMerge commit d30f2cb6 from release-2020 into master tree | commitdiff
2020-01-01 Erik LindahlAdd link to paper explaining GROMOS twin-range issues. tree | commitdiff
2019-12-31 Mark AbrahamAvoid 386 O3 codegen bug even more tree | commitdiff
2019-12-31 Artem ZhmurovInform user why forcing GPU update is not possible tree | commitdiff
2019-12-31 Artem ZhmurovFix gpuupdate matrix tree | commitdiff
2019-12-30 Mark AbrahamTests that verify serializer behaviours tree | commitdiff
2019-12-30 Mark AbrahamRemove use of tuple in LINCS code for GPU implementation tree | commitdiff
2019-12-29 Erik LindahlWrite TPR body as opaque XDR data in big-endian format tree | commitdiff
2019-12-28 Artem ZhmurovChange the behavior of the GPU update UI tree | commitdiff
2019-12-28 Mark AbrahamRemove GMX_CYCLECOUNTERS tree | commitdiff
2019-12-28 Mark AbrahamMerge "Merge origin/release-2019 into release-2020... tree | commitdiff
2019-12-27 Artem ZhmurovAdd a note to the log file when -update gpu was set... tree | commitdiff
2019-12-27 Paul BauerMerge origin/release-2019 into release-2020 tree | commitdiff
2019-12-27 Artem ZhmurovClean bad auto-format in decidegpuusage doxygen comments tree | commitdiff
2019-12-24 Christoph Junghanscmake: fix missing header for legacy api tree | commitdiff
2019-12-23 Paul BauerRevert "Fix that tests intended for multiple ranks... tree | commitdiff
2019-12-22 Berk HessUse ListOfLists for atom to constraint mapping tree | commitdiff
2019-12-22 Berk HessMove nr_nonperturbed out of t_ilist tree | commitdiff
2019-12-20 Christian BlauRemove problematic output of gmx angle tree | commitdiff
2019-12-20 Szilárd PállEnable buffer ops when GMX_GPU_DD_COMMS is set tree | commitdiff
2019-12-19 Alan GrayFix PME tuning issue when PME-PP communications are... tree | commitdiff
2019-12-19 Szilárd PállPP-PME load balancing improvements tree | commitdiff
2019-12-19 ejjordanChange some domdec data members to RVec or IVec tree | commitdiff
2019-12-19 Berk HessExpand ListOfLists pushBack() functionality tree | commitdiff
2019-12-19 Berk HessRemove exclusions from t_topology tree | commitdiff
2019-12-19 Berk HessFix mdrun appending invalidating energy files tree | commitdiff
2019-12-18 Alan GrayFix conditional on assertion for combining GPU Update... tree | commitdiff
2019-12-18 Szilárd PállAllow x D2H to overlap with GPU force compute tree | commitdiff
2019-12-18 Berk HessChange grompp decoupling SD warning to note tree | commitdiff
2019-12-17 Berk HessAdd note for COM removal with position restraints tree | commitdiff
2019-12-17 Artem ZhmurovClean-up buffer-ops CUDA kernels tree | commitdiff
2019-12-17 Paul BauerTest parallel mpi only with openmp tree | commitdiff
2019-12-17 Szilárd PállComment the use of waitCoordinatesCopiedToDevice tree | commitdiff
2019-12-17 Paul BauerFix compiler warning about extra ; tree | commitdiff
2019-12-17 Szilárd PállAdd wallcycle counting to StatePropagatorDataGpu tree | commitdiff
2019-12-17 Paul BauerFix formatting error tree | commitdiff
2019-12-17 Mark AbrahamFix that tests intended for multiple ranks run that way tree | commitdiff
2019-12-17 Pascal MerzFix exact continuation modular simulator tree | commitdiff
2019-12-16 Szilárd PállFix the GPU bonded stream with 1 PP + 1 PME rank tree | commitdiff
2019-12-16 Berk HessUse ListOfLists in gmx_mtop_t and gmx_localtop_t tree | commitdiff
2019-12-16 Berk HessFix issues in ListOfLists tree | commitdiff
2019-12-16 Paul BauerFix torsion angle calculation tree | commitdiff
2019-12-15 Christian BlauFix densityfitting stalling and energies tree | commitdiff
2019-12-14 Mark AbrahamSimplify gmxapi RPATH handling tree | commitdiff
2019-12-13 Paul BauerFix compiler warning about extra ; tree | commitdiff
2019-12-13 Paul BauerCheck for using correct hwloc headers and runtime tree | commitdiff
2019-12-13 Artem ZhmurovClean up outdated comments in md.cpp tree | commitdiff
2019-12-12 Pascal MerzTest for expected output files tree | commitdiff
2019-12-12 Pascal MerzFix final configuration writing for modular simulator tree | commitdiff
2019-12-12 Szilárd PállAllow overlapping CPU force H2D with compute tree | commitdiff
2019-12-12 Berk HessAdd class ListOfLists tree | commitdiff
2019-12-12 Mark AbrahamMerge "Merge branch 'origin/release-2020' into master" tree | commitdiff
2019-12-12 Christian BlauDensityfitting - enforce similarity increase with adapt... tree | commitdiff
2019-12-12 Paul BauerMerge branch 'origin/release-2020' into master tree | commitdiff
2019-12-12 Artem ZhmurovAllow using GPU update with DD and update groups tree | commitdiff
2019-12-11 Artem ZhmurovEnable most of the pulling flavors with GPU update tree | commitdiff
2019-12-11 Mark AbrahamDocument DOMAINDECOMP(cr) correctly tree | commitdiff
2019-12-11 Paul BauerTest parallel mpi only with openmp tree | commitdiff
2019-12-10 Artem ZhmurovAvoid unnecessary reinterpret_cast of coordinates buffer tree | commitdiff
2019-12-10 Mark AbrahamSimplify gmxapi RPATH handling tree | commitdiff
2019-12-10 Artem ZhmurovSet GPU update to false in case of a rerun tree | commitdiff
2019-12-07 M. Eric IrrgangFinalize gmxapi 0.1 tree | commitdiff
2019-12-06 Mark AbrahamAvoid 386 O3 codegen bug tree | commitdiff
2019-12-06 Artem ZhmurovPass array ref instead of casting to basic array in... tree | commitdiff
2019-12-06 Christian BlauChange arbitrary units to counts in RMSD distance distr... tree | commitdiff
2019-12-06 Mark AbrahamProvide more feedback when listed forces tests fail tree | commitdiff
2019-12-05 Christian BlauRelax cross-correlation test precision tree | commitdiff
2019-12-04 Mark AbrahamRemoved unnecessary link_directories command for gtest tree | commitdiff
2019-12-04 Christian BlauRemove cutoff-scheme group from default mdout.mdp output tree | commitdiff
2019-12-03 Paul BauerRevert "Enable GPU update with DD when GPU comm feature... tree | commitdiff
2019-12-03 Paul BauerFix nightly build by correctly defining several tree | commitdiff
2019-12-03 Alan GrayEnable GPU update with DD when GPU comm features are... tree | commitdiff
2019-12-02 Paul BauerSet update to run on GPU by default if possible tree | commitdiff
2019-12-02 Jonathan VincentHeuristics for switching between CUDA spread/gather... tree | commitdiff
2019-12-02 Berk HessAdd check for coupled constraints for CUDA update tree | commitdiff
2019-12-02 Berk HessExtract LINCS CUDA helper functions tree | commitdiff
2019-12-02 Christian BlauRelax test tolerance for cross correlation measure... tree | commitdiff
2019-12-01 Mark AbrahamFurther improve taskassignment exception handling tree | commitdiff
2019-11-30 Paul BauerMerge origin/release-2020 into master tree | commitdiff
2019-11-29 Berk HessMerge "Merge branch release-2019 into release-2020... tree | commitdiff
2019-11-29 Paul BauerFix unaligned access with AVX512 tree | commitdiff
2019-11-29 Paul BauerFix build error without thread or regular mpi tree | commitdiff
2019-11-29 Artem ZhmurovPrint OpenCL error info in case of failed assertion... tree | commitdiff
2019-11-29 Mark AbrahamMerge branch release-2019 into release-2020 tree | commitdiff
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