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SYCL: Avoid using no_init read accessor in rocFFT
[alexxy/gromacs.git] / src / gromacs / mdrun / runner.cpp
2021-11-05 Szilárd PállSplit simulationWork.useGpuBufferOps into separate... commit | commitdiff
2021-11-03 Andrey AlekseenkoUnify handling of GMX_ENABLE_GPU_TIMING and GMX_DISABLE... commit | commitdiff
2021-10-29 Berk HessReimplement constant acceleration groups commit | commitdiff
2021-10-22 Andrey AlekseenkoActivate GPU update support in SYCL build commit | commitdiff
2021-10-18 Andrey AlekseenkoMerge release-2021 into master commit | commitdiff
2021-10-18 Andrey AlekseenkoDisable PME Mixed mode with FEP commit | commitdiff
2021-10-13 Berk HessMade gromacs work again without MPI commit | commitdiff
2021-09-27 Mark AbrahamUse ObservablesReducer for LINCS RMSD computation commit | commitdiff
2021-09-25 Berk HessReplace DOMAINDECOMP macro by a renamed function commit | commitdiff
2021-09-24 Berk HessAlso use DD partitioning in serial commit | commitdiff
2021-09-23 Mark AbrahamUse ObservablesReducer for check of DD bonded interacti... commit | commitdiff
2021-09-23 ejjordanMake CpuPpLongRangeNonbondeds class commit | commitdiff
2021-09-14 Andrey AlekseenkoMerge remote-tracking branch 'origin/release-2021'... commit | commitdiff
2021-09-07 Mark AbrahamIntroduce plumbing for ObservablesReducer commit | commitdiff
2021-08-30 Berk HessMake orires work with DD particle reordering commit | commitdiff
2021-08-27 Gaurav GargDisable DLB if GPU direct communication Halo exchange... commit | commitdiff
2021-08-19 Szilárd PállAdd separate PME rank SimluationWorkload flags commit | commitdiff
2021-08-19 Andrey AlekseenkoMerge remote-tracking branch 'origin/release-2021'... commit | commitdiff
2021-08-18 Szilárd PállAdd PP decomposition simluationWorkload flags commit | commitdiff
2021-08-18 Mark AbrahamEnsure restart with update groups always works commit | commitdiff
2021-08-17 Andrey AlekseenkoRandom cosmetic fixes commit | commitdiff
2021-08-02 Mark AbrahamFix style violations commit | commitdiff
2021-08-01 Alan GrayRemove MPI comm from GPU PME-PP force transfer initiation commit | commitdiff
2021-06-29 Paul BauerMerge branch release-2021 into master commit | commitdiff
2021-06-17 Mark AbrahamRework -Weverything commit | commitdiff
2021-06-16 Joe JordanUse unique_ptr<ListedForcesGpu> in forcerec commit | commitdiff
2021-06-04 Szilárd PállMove useMts flag from forcerec to simulationWorkload commit | commitdiff
2021-06-02 Dmitry MorozovAdd notifications for MDModules that will be used in... commit | commitdiff
2021-05-31 Mark AbrahamFinish breaking up domdec_topology.cpp commit | commitdiff
2021-05-31 Mark AbrahamPartial renaming of cginfo to atom info commit | commitdiff
2021-05-27 Mark AbrahamMove reverse topology code to its own translation unit commit | commitdiff
2021-05-27 Artem ZhmurovRename GpuBonded into ListedForcesGpu commit | commitdiff
2021-05-26 Dmitry MorozovMoved PME-only ranks check to domain decomposition... commit | commitdiff
2021-05-20 Alan GrayRemove GPU update restriction for replica exchange commit | commitdiff
2021-05-13 Mark AbrahamDecouple update group handling from domain decompositio... commit | commitdiff
2021-05-11 Mark AbrahamApply clang-format-11 commit | commitdiff
2021-05-07 Paul BauerMerge branch release-2021 into merge-2021-into-master commit | commitdiff
2021-05-05 Berk HessConvert t_oriresdata to C++ commit | commitdiff
2021-05-05 Mark AbrahamBreak up dd_init_bondeds commit | commitdiff
2021-05-04 Mark AbrahamDecouple update-group aspects of vsites and constraints commit | commitdiff
2021-05-03 Mark AbrahamReplace bool with enum class in DomdecOptions commit | commitdiff
2021-04-21 Joe JordanRename some enum names in ModuleMultiThread commit | commitdiff
2021-04-20 Joe JordanUse enum class for gmx_omp_nthreads commit | commitdiff
2021-04-17 Mark AbrahamRename files to follow style commit | commitdiff
2021-04-16 Gaurav GargRemove thread-MPI limitation for GPU direct PME-PP... commit | commitdiff
2021-04-14 Paul BauerModernize wallcycle counting commit | commitdiff
2021-04-13 Gaurav GargRemove thread-MPI limitation for GPU PP Halo exchange commit | commitdiff
2021-04-12 Mark AbrahamImprove docs and naming for MdModulesNotifiers commit | commitdiff
2021-04-12 ejjordanConstructor for gmx_ekindata_t commit | commitdiff
2021-03-25 Joe JordanUse ArrayRef in special forces commit | commitdiff
2021-03-23 Joe JordanModernize t_nrnb commit | commitdiff
2021-03-19 Paul BauerBulk change to const ref for mtop commit | commitdiff
2021-03-11 Andrey AlekseenkoDisable GPU update in the presence of frozen atoms commit | commitdiff
2021-03-11 Andrey AlekseenkoProperly check for frozen atoms when disabling GPU... commit | commitdiff
2021-03-10 Artem ZhmurovRename some variables in GPU task assignment and fix... commit | commitdiff
2021-03-10 Andrey AlekseenkoDisable GPU update in the presence of frozen atoms commit | commitdiff
2021-03-05 Paul BauerMerge branch release-2020 into merge-2020-into-2021 commit | commitdiff
2021-02-26 Joe JordanOnly use const ref for mtop and inputrec in domdec commit | commitdiff
2021-02-25 Pascal MerzDisable cos acceleration for non leap-frog code paths commit | commitdiff
2021-02-24 Paul BauerRework state checkpoint enum handling commit | commitdiff
2021-02-22 Paul BauerRefactor md_enums commit | commitdiff
2021-02-19 Berk HessClean up DD reverse topology options commit | commitdiff
2021-02-19 Joe JordanUse const refs in init_nb_verlet commit | commitdiff
2021-02-18 Joe JordanUse unique_ptr for forcerec in runner commit | commitdiff
2021-02-17 ejjordanUse const ref to mtop in init_forcerec commit | commitdiff
2021-02-16 Joe JordanUse const ref to inputrec in do_force commit | commitdiff
2021-02-12 Mark AbrahamMerge branch release-2021 into master commit | commitdiff
2021-02-11 Pascal MerzDisable cos acceleration for non leap-frog code paths commit | commitdiff
2021-02-09 Pascal MerzMake temperature and pressure coupling enums enum classes commit | commitdiff
2021-02-08 Andrey AlekseenkoDisable FPE for SYCL builds commit | commitdiff
2021-02-03 Mark AbrahamRemove support for Intel classic compiler commit | commitdiff
2021-01-29 Hubert SantuzAllow MdModules to access the topology during simulatio... commit | commitdiff
2021-01-29 Dmitry MorozovAdded functionality that allows MdModules to disable... commit | commitdiff
2021-01-29 Mark AbrahamMerge branch release-2021 commit | commitdiff
2021-01-27 Pascal MerzRemove constant acceleration groups commit | commitdiff
2021-01-07 Paul BauerMerge branch release-2020 into merge-2020-into-2021 commit | commitdiff
2020-12-18 Mark AbrahamMerge branch release-2021 commit | commitdiff
2020-12-16 M. Eric IrrgangApply re-formatting to C++ in src/ tree. commit | commitdiff
2020-11-29 Paul BauerFix build on CentOS 7 commit | commitdiff
2020-11-24 Paul BauerMerge branch 'origin/release-2020' into merge-2020... commit | commitdiff
2020-11-05 Paul BauerMerge branch 'origin/release-2021' into merge-2021... commit | commitdiff
2020-11-04 Mark AbrahamRemove logging from hardware detection commit | commitdiff
2020-11-03 Artem ZhmurovMake the message why GPU bondeds are not available... commit | commitdiff
2020-10-23 Mark AbrahamMerge branch release-2021 commit | commitdiff
2020-10-22 Szilárd PállAdd missing GPU force reduction cycle counting commit | commitdiff
2020-10-20 Paul BauerMerge branch 'origin/release-2020' into merge-release... commit | commitdiff
2020-10-13 Joe JordanFix segfault in pull reading commit | commitdiff
2020-10-07 Paul BauerMerge branch 'origin/release-2020' into merge-release... commit | commitdiff
2020-10-06 Artem ZhmurovSimplify GPU usage decision function signatures commit | commitdiff
2020-10-02 Alan GrayUse workload data structures for GPU halo exchange... commit | commitdiff
2020-09-30 Andrey AlekseenkoSquash SYCL DeviceContext and DeviceStream commit | commitdiff
2020-09-29 Artem ZhmurovDon't use fah_fsync commit | commitdiff
2020-09-29 Alan GrayRedevelopment of GPU Force Reduction/Buffer Ops commit | commitdiff
2020-09-28 Alan GrayRemove single-dimension limitation from GPU halo exchange commit | commitdiff
2020-09-18 M. Eric IrrgangImprove naming and docs. commit | commitdiff
2020-09-18 M. Eric IrrgangDocument a Mdrunner::BuilderImplementation member. commit | commitdiff
2020-09-17 Berk HessMove bNonbonded flag from t_forcerec to SimulationWorkload commit | commitdiff
2020-09-15 Berk HessFix task assignment with multiruns commit | commitdiff
2020-09-15 Alan GrayPass devFlags into createSimulationWorkload replacing... commit | commitdiff
2020-09-14 M. Eric IrrgangCreate and use SimulationInput module. commit | commitdiff
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