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SYCL: Avoid using no_init read accessor in rocFFT
[alexxy/gromacs.git] / src / gromacs / mdlib / sim_util.cpp
2021-11-05 Szilárd PállSplit simulationWork.useGpuBufferOps into separate... commit | commitdiff
2021-11-04 Szilárd PállMake stepWorkload.useGpuXBufferOps flag consistent commit | commitdiff
2021-11-03 Andrey AlekseenkoFix random typos commit | commitdiff
2021-10-29 Alan GraySimplify GPU force reduction conditionals commit | commitdiff
2021-10-21 Andrey AlekseenkoBalance event consumption for GPU update code path commit | commitdiff
2021-10-18 Andrey AlekseenkoMerge release-2021 into master commit | commitdiff
2021-10-14 Alan GrayPipeline GPU PME Spline/Spread with PP Comms commit | commitdiff
2021-10-06 Alan GrayRework GPU halo and state propagator streams and depend... commit | commitdiff
2021-10-05 Gaurav GargFix force reduction dependencies with process-MPI and... commit | commitdiff
2021-09-29 Magnus LundborgSIMD support for nonbonded free-energy kernels commit | commitdiff
2021-09-27 Szilárd PállFix stepWork.useGpuXHalo on search steps 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 ejjordanMake CpuPpLongRangeNonbondeds class commit | commitdiff
2021-09-14 Andrey AlekseenkoMerge remote-tracking branch 'origin/release-2021'... commit | commitdiff
2021-08-27 Gaurav GargRemoves PME rank dependency on Non-local X H2D copy... commit | commitdiff
2021-08-19 Szilárd PállAvoid using cr->duty in setupStepWorkload 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
2021-08-17 Andrey AlekseenkoRandom cosmetic fixes commit | commitdiff
2021-08-13 Andrey AlekseenkoRemove duplicate waiting for coordinates commit | commitdiff
2021-08-01 Alan GrayRemove MPI comm from GPU PME-PP force transfer initiation commit | commitdiff
2021-07-26 Andrey AlekseenkoRemove duplicate waiting for coordinates 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
2021-06-03 Szilárd PállFix getLocalAtomCount() commit | commitdiff
2021-06-03 Berk HessMinor pull code cleanup commit | commitdiff
2021-06-03 Szilárd PállAdd domainWorkload flags for CPU local force contributions commit | commitdiff
2021-06-03 Szilárd PállAdd a getter function for the local atom count commit | commitdiff
2021-05-31 ejjordanIncrease const correctness in gmx_pme_send_parameters commit | commitdiff
2021-05-31 Mark AbrahamPartial renaming of cginfo to atom info commit | commitdiff
2021-05-27 Artem ZhmurovRename GpuBonded into ListedForcesGpu commit | commitdiff
2021-05-26 Szilárd PállEliminate redundant GPU force reduction event dependency commit | commitdiff
2021-05-24 Joe JordanRemove forcerec from dispatchFreeEnergyKernel signature commit | commitdiff
2021-05-14 Artem ZhmurovRemove extra device force getter from NBNXM commit | commitdiff
2021-05-11 Szilárd PállRemove GMX_FORCE_DO_NOT_NEED_NORMAL_FORCE legacy flag... commit | commitdiff
2021-05-10 Szilárd PállMove PME-GPU do_force() local bool into stepWorkload commit | commitdiff
2021-05-07 Paul BauerMerge branch release-2021 into merge-2021-into-master commit | commitdiff
2021-05-06 Paul BauerRemove UB in ArrayRef from array commit | commitdiff
2021-05-05 Joe JordanPass ArrayRefs to dispatchNonbondedKernel commit | commitdiff
2021-05-04 ejjordanRemove mdatoms from do_walls commit | commitdiff
2021-04-20 Paul BauerFix clang-format commit | commitdiff
2021-04-20 Joe JordanUse enum class for gmx_omp_nthreads commit | commitdiff
2021-04-15 Andrey AlekseenkoEnsure coordinates are copied for dipole moment calculation 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 Joe JordanReplace defines with constexpr in ishift commit | commitdiff
2021-04-02 Andrey AlekseenkoEnsure coordinates are copied for dipole moment calculation commit | commitdiff
2021-03-31 Alan GrayRemove PME coordinate send code duplication commit | commitdiff
2021-03-30 kanduriTurn t_forcerec.shift_vec into an std::vector of gmx... commit | commitdiff
2021-03-29 Alan GrayAvoid unnecessary CPU force buffer clearing commit | commitdiff
2021-03-26 Joe JordanUse ArrayRefs instead of mdatoms in gmx_nb_free_energy_... commit | commitdiff
2021-03-25 ejjordanArrayRef and const ref in gmx_nb_free_energy_kernel commit | commitdiff
2021-03-25 Joe JordanUse ArrayRef in special forces commit | commitdiff
2021-03-25 Joe JordanUse ArrayRef in signatures of constraints and some... commit | commitdiff
2021-03-24 Andrey AlekseenkoAdd missing GMX_ASSERT(haveCopiedXFromGpu) commit | commitdiff
2021-03-24 ejjordanRemove nb_kernel_data_t commit | commitdiff
2021-03-24 ejjordanRemove unneeded members from nb_kernel_data_t commit | commitdiff
2021-03-23 Joe JordanUse ArrayRef in calc_mu commit | commitdiff
2021-03-19 Andrey AlekseenkoUse DeviceBuffer<RVec> in GPU force reduction and PME... commit | commitdiff
2021-03-19 Paul BauerRemove mdatoms from forceprovider call signature commit | commitdiff
2021-03-19 Joe JordanUse ArrayRef in ewald_LRcorrection commit | commitdiff
2021-03-19 Joe JordanMake non bonded energy terms enum class commit | commitdiff
2021-03-12 Alan GrayMove responsibility for GPU force clearing to state... commit | commitdiff
2021-03-10 Joe JordanRemove param fillLocal, which was always false, from... commit | commitdiff
2021-03-10 Andrey AlekseenkoRevert "Wrap more device pointers in DeviceBuffer"... commit | commitdiff
2021-03-10 Andrey AlekseenkoWrap more device pointers in DeviceBuffer commit | commitdiff
2021-03-09 Joe JordanUse constexpr for physical constants and move them... commit | commitdiff
2021-03-08 Andrey AlekseenkoFix "wait before marking" synchronization bug commit | commitdiff
2021-03-05 Paul BauerMerge branch release-2020 into merge-2020-into-2021 commit | commitdiff
2021-02-22 Joe JordanHold unique_ptr for interaction_const in forcerec commit | commitdiff
2021-02-22 Paul BauerRefactor md_enums commit | commitdiff
2021-02-18 Szilárd PállClean up box vector constants in do_force commit | commitdiff
2021-02-16 Joe JordanUse const ref to inputrec in do_force commit | commitdiff
2021-02-15 Pascal MerzMake the restraint history const during force calculation commit | commitdiff
2021-02-12 Mark AbrahamMerge branch release-2021 into master commit | commitdiff
2021-01-29 Mark AbrahamMerge branch release-2021 commit | commitdiff
2021-01-28 Alan GrayMove initiation of local CPU force H2D transfer to... 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
2020-11-24 Paul BauerMerge branch 'origin/release-2021' into merge-2021... commit | commitdiff
2020-11-24 Paul BauerMerge branch 'origin/release-2020' into merge-2020... commit | commitdiff
2020-11-10 Szilárd PállGPU codepath cycle counting fixes commit | commitdiff
2020-11-05 Paul BauerMerge branch 'origin/release-2021' into merge-2021... commit | commitdiff
2020-11-04 Alan GrayAllow GPU update without GPU DD commit | commitdiff
2020-10-20 Paul BauerMerge branch 'origin/release-2020' into merge-release... commit | commitdiff
2020-10-16 Alan GrayFix for force copy dependency of GPU force reduction commit | commitdiff
2020-10-13 Joe JordanFix segfault in pull reading commit | commitdiff
2020-10-09 Berk HessAdd MTS support for pull and AWH commit | commitdiff
2020-10-07 Paul BauerMerge branch 'origin/release-2020' into merge-release... commit | commitdiff
2020-10-02 Alan GrayUse workload data structures for GPU halo exchange... commit | commitdiff
2020-09-30 Berk HessMove computeSlowForces into stepWork 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 Berk HessRemove cutoff_scheme from t_forcerec and interaction_co... commit | commitdiff
2020-09-17 Berk HessMove bNonbonded flag from t_forcerec to SimulationWorkload commit | commitdiff
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