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Unify handling of GMX_ENABLE_GPU_TIMING and GMX_DISABLE_GPU_TIMING
[alexxy/gromacs.git] / src / gromacs / mdlib /
2021-11-03 Andrey AlekseenkoFix random typos tree | commitdiff
2021-11-03 Andrey AlekseenkoSYCL: Use acc.bind(cgh) instead of cgh.require(acc) tree | commitdiff
2021-11-02 Berk HessAdd second LINCS atom update task tree | commitdiff
2021-10-30 Andrey AlekseenkoSilence clang-tidy warnings tree | commitdiff
2021-10-29 Alan GraySimplify GPU force reduction conditionals tree | commitdiff
2021-10-29 Berk HessReimplement constant acceleration groups tree | commitdiff
2021-10-27 Joe JordanThrow on failure in gmx_file_rename tree | commitdiff
2021-10-26 Mark AbrahamRemove short-circuit logic for OpenMP setup tree | commitdiff
2021-10-25 Andrey AlekseenkoSilence Clang's constant-logical-operand warning tree | commitdiff
2021-10-22 Andrey AlekseenkoGet rid of sycl::buffer::reinterpret tree | commitdiff
2021-10-22 Andrey AlekseenkoActivate GPU update support in SYCL build tree | commitdiff
2021-10-21 Andrey AlekseenkoBalance event consumption for GPU update code path tree | commitdiff
2021-10-21 Berk HessAdd lambda state to dhdl.xvg with AWH fep tree | commitdiff
2021-10-18 Andrey AlekseenkoMerge release-2021 into master tree | commitdiff
2021-10-18 Andrey AlekseenkoFix UB when generating local indices for constraints tree | commitdiff
2021-10-14 Alan GrayPipeline GPU PME Spline/Spread with PP Comms tree | commitdiff
2021-10-12 Andrey AlekseenkoStop timers in GpuForceReduction with no atoms tree | commitdiff
2021-10-09 Andrey AlekseenkoSYCL: Reduce local memory usage of LINCS kernel tree | commitdiff
2021-10-06 Pascal MerzImplement pull for modular simulator tree | commitdiff
2021-10-06 Artem ZhmurovAdd constraints test with multiple molecules tree | commitdiff
2021-10-06 Andrey AlekseenkoFix SYCL LINCS kernel tree | commitdiff
2021-10-06 Artem ZhmurovAdd missing synchronization calls in CUDA version of... tree | commitdiff
2021-10-06 Alan GrayRework GPU halo and state propagator streams and depend... tree | commitdiff
2021-10-05 Gaurav GargFix force reduction dependencies with process-MPI and... tree | commitdiff
2021-09-29 Artem ZhmurovUse reference data in constraints tests tree | commitdiff
2021-09-29 Magnus LundborgSIMD support for nonbonded free-energy kernels tree | commitdiff
2021-09-28 Berk HessFix bug with vsites, DD, OpenMP and large systems tree | commitdiff
2021-09-27 Szilárd PállFix stepWork.useGpuXHalo on search steps tree | commitdiff
2021-09-27 Mark AbrahamUse ObservablesReducer for LINCS RMSD computation tree | commitdiff
2021-09-25 Berk HessReplace DOMAINDECOMP macro by a renamed function tree | commitdiff
2021-09-24 Berk HessAlso use DD partitioning in serial tree | commitdiff
2021-09-23 Mark AbrahamInitialize t_inputrec properly tree | commitdiff
2021-09-23 Mark AbrahamUse ObservablesReducer for check of DD bonded interacti... tree | commitdiff
2021-09-23 ejjordanMake CpuPpLongRangeNonbondeds class tree | commitdiff
2021-09-22 Pascal MerzIntroduce expanded ensemble in modular simulator tree | commitdiff
2021-09-21 Andrey AlekseenkoFix rare UB / assertion failure in MdlibUnitTest tree | commitdiff
2021-09-16 Artem ZhmurovMiscellaneous doxygen fixes tree | commitdiff
2021-09-16 Artem ZhmurovUse a pointer to kernel parameters instead of a reference tree | commitdiff
2021-09-15 Artem ZhmurovAdd SYCL implementation of LINCS tree | commitdiff
2021-09-14 Andrey AlekseenkoMerge remote-tracking branch 'origin/release-2021'... tree | commitdiff
2021-09-07 Mark AbrahamIntroduce plumbing for ObservablesReducer tree | commitdiff
2021-08-30 Berk HessMake orires work with DD particle reordering tree | commitdiff
2021-08-28 Andrey AlekseenkoSYCL: Fully switch to atomic_ref tree | commitdiff
2021-08-27 Gaurav GargRemoves PME rank dependency on Non-local X H2D copy... tree | commitdiff
2021-08-26 Andrey AlekseenkoAdd missing Doxygen for SYCL functions and some others tree | commitdiff
2021-08-26 Artem ZhmurovMake the output of the constraints tests readable tree | commitdiff
2021-08-25 Berk HessEnable atom reordering in WholeMoleculeTransform tree | commitdiff
2021-08-19 Szilárd PállAvoid using cr->duty in setupStepWorkload tree | commitdiff
2021-08-19 Szilárd PállAdd separate PME rank SimluationWorkload flags tree | commitdiff
2021-08-19 Andrey AlekseenkoMerge remote-tracking branch 'origin/release-2021'... tree | commitdiff
2021-08-18 Szilárd PállAdd PP decomposition simluationWorkload flags tree | commitdiff
2021-08-17 Artem ZhmurovMove the ownership of the xUpdatedOnDevice event to... tree | commitdiff
2021-08-17 Andrey AlekseenkoRandom cosmetic fixes tree | commitdiff
2021-08-16 Artem ZhmurovAdd common header to GpuEventSynchronizer tree | commitdiff
2021-08-13 Andrey AlekseenkoRemove duplicate waiting for coordinates tree | commitdiff
2021-08-09 Artem ZhmurovAdd SYCL SETTLE kernel tree | commitdiff
2021-08-03 Mark AbrahamUpdate bundled GoogleTest to current HEAD tree | commitdiff
2021-08-01 Alan GrayRemove MPI comm from GPU PME-PP force transfer initiation tree | commitdiff
2021-07-26 Andrey AlekseenkoRemove duplicate waiting for coordinates tree | commitdiff
2021-06-29 Paul BauerMerge branch release-2021 into master tree | commitdiff
2021-06-17 Mark AbrahamRework -Weverything tree | commitdiff
2021-06-16 Joe JordanUse unique_ptr<ListedForcesGpu> in forcerec tree | commitdiff
2021-06-15 Mark AbrahamRemove some NOLINT now that clang-tidy-11 is required tree | commitdiff
2021-06-11 Andrey AlekseenkoSYCL: Shorten mangled kernel name types tree | commitdiff
2021-06-10 Pascal MerzRefactor temperature annealing tree | commitdiff
2021-06-09 Artem ZhmurovUse [..] instead of at(..) in LINCS GPU data management... tree | commitdiff
2021-06-09 Artem ZhmurovCompute reference indices in GPU LINCS upon data prepar... tree | commitdiff
2021-06-09 Pascal MerzPrepare simulated annealing refactoring tree | commitdiff
2021-06-07 Mark AbrahamAdd hasPerturbedChargeIn14Interaction to atomInfo bits tree | commitdiff
2021-06-07 Paul BauerUse enum class for checkpoint version tree | commitdiff
2021-06-07 Mark AbrahamMake LocalTopologyChecker class and hide implementation... tree | commitdiff
2021-06-07 Dmitry MorozovAdded EnergyOutputRequestChecker notification for MDModules tree | commitdiff
2021-06-04 Mark AbrahamConvert atomInfo to int64_t tree | commitdiff
2021-06-04 Szilárd PállMove useMts flag from forcerec to simulationWorkload tree | commitdiff
2021-06-03 Artem ZhmurovMake constraints and SETTLE tests backend-agnostic tree | commitdiff
2021-06-03 Mark AbrahamRemove preprocessor usage for atomInfo tree | commitdiff
2021-06-03 Szilárd PállFix getLocalAtomCount() tree | commitdiff
2021-06-03 Berk HessMinor pull code cleanup tree | commitdiff
2021-06-03 Szilárd PállAdd domainWorkload flags for CPU local force contributions tree | commitdiff
2021-06-03 Szilárd PállAdd a getter function for the local atom count tree | commitdiff
2021-05-31 ejjordanIncrease const correctness in gmx_pme_send_parameters tree | commitdiff
2021-05-31 Mark AbrahamPartial renaming of cginfo to atom info tree | commitdiff
2021-05-31 Andrey AlekseenkoFix one more missing template declaration tree | commitdiff
2021-05-28 Paul BauerFix missing template declaration tree | commitdiff
2021-05-27 Artem ZhmurovRename GpuBonded into ListedForcesGpu tree | commitdiff
2021-05-27 Mark AbrahamMove the code of what will later implement LocalTopolog... tree | commitdiff
2021-05-26 Szilárd PállEliminate redundant GPU force reduction event dependency tree | commitdiff
2021-05-26 ejjordanRemove foreign energy groups from gmx_enerdata_t tree | commitdiff
2021-05-26 Joe JordanMove t_forcetable and table enums to forcetable header tree | commitdiff
2021-05-25 Pascal MerzSplit expanded ensemble function tree | commitdiff
2021-05-25 Joe JordanOnly Pass needed data to nonbonded param setup in forcerec tree | commitdiff
2021-05-24 Paul BauerApply clang-tidy-11 fixes to CUDA files tree | commitdiff
2021-05-24 Joe JordanRemove forcerec from dispatchFreeEnergyKernel signature tree | commitdiff
2021-05-24 Berk HessFix incorrectly sized ga2la hash table tree | commitdiff
2021-05-24 Mark AbrahamRemove GMX_CONSTRVIR tree | commitdiff
2021-05-20 ejjordanRemove inputrec from do_ewald tree | commitdiff
2021-05-19 Artem ZhmurovFix clang-format tree | commitdiff
2021-05-19 Andrey AlekseenkoSupport GPU update without constraints tree | commitdiff
2021-05-19 ejjordanMake TrotterSequence enum class tree | commitdiff
2021-05-19 Joe JordanClean up some headers in mdlib tree | commitdiff
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