BioD PNPI Git Repos - alexxy/gromacs.git/history - src/gromacs/mdlib/sim

biod.pnpi.spb.ru / alexxy / gromacs.git / history

[alexxy/gromacs.git] / src / gromacs / mdlib / sim_util.cpp

2020-02-23	ejjordan	Use more forward declarations to removed header depende...	blob \| commitdiff \| raw
2020-02-23	Mark Abraham	Removed unused PME gather functionality	blob \| commitdiff \| raw \| diff to current
2020-02-17	Szilárd Páll	Add simulation workload flag for dipole computation	blob \| commitdiff \| raw \| diff to current
2020-02-15	Alan Gray	Multiple pulses for GPU Halo Exchange	blob \| commitdiff \| raw \| diff to current
2020-02-01	Artem Zhmurov	Merge "Merge branch origin/release-2020 into master"	blob \| commitdiff \| raw \| diff to current
2020-01-31	Szilárd Páll	Eliminate the legacyFlags manipulation in do_force()	blob \| commitdiff \| raw \| diff to current
2020-01-31	Szilárd Páll	Remove BufferOpsUseGpu enum	blob \| commitdiff \| raw \| diff to current
2020-01-29	Artem Zhmurov	Remove the rest of the device coordinates management...	blob \| commitdiff \| raw \| diff to current
2020-01-28	Paul Bauer	Merge branch origin/release-2020 into master	blob \| commitdiff \| raw \| diff to current
2020-01-16	Mark Abraham	Make nbnxm headers more self-contained	blob \| commitdiff \| raw \| diff to current
2020-01-09	Artem Zhmurov	Make PBC type enumeration into PbcType enum class	blob \| commitdiff \| raw \| diff to current
2020-01-09	Mark Abraham	Clean up ewald module internals	blob \| commitdiff \| raw \| diff to current
2020-01-08	Roland Schulz	Merge release-2019 into release-2020	blob \| commitdiff \| raw \| diff to current
2020-01-07	Paul Bauer	Merge branch origin/release-2020 into master	blob \| commitdiff \| raw \| diff to current
2020-01-07	Paul Bauer	Merge commit d30f2cb6 from release-2020 into master	blob \| commitdiff \| raw \| diff to current
2019-12-31	Artem Zhmurov	Fix gpuupdate matrix	blob \| commitdiff \| raw \| diff to current
2019-12-27	Paul Bauer	Merge origin/release-2019 into release-2020	blob \| commitdiff \| raw \| diff to current
2019-12-18	Alan Gray	Fix conditional on assertion for combining GPU Update...	blob \| commitdiff \| raw \| diff to current
2019-12-18	Szilárd Páll	Allow x D2H to overlap with GPU force compute	blob \| commitdiff \| raw \| diff to current
2019-12-16	Berk Hess	Use ListOfLists in gmx_mtop_t and gmx_localtop_t	blob \| commitdiff \| raw \| diff to current
2019-12-12	Szilárd Páll	Allow overlapping CPU force H2D with compute	blob \| commitdiff \| raw \| diff to current
2019-12-12	Paul Bauer	Merge branch 'origin/release-2020' into master	blob \| commitdiff \| raw \| diff to current
2019-12-12	Artem Zhmurov	Allow using GPU update with DD and update groups	blob \| commitdiff \| raw \| diff to current
2019-11-30	Paul Bauer	Merge origin/release-2020 into master	blob \| commitdiff \| raw \| diff to current
2019-11-29	Mark Abraham	Merge branch release-2019 into release-2020	blob \| commitdiff \| raw \| diff to current
2019-11-28	Artem Zhmurov	Fix pressure coupling with GPU update	blob \| commitdiff \| raw \| diff to current
2019-11-27	Alan Gray	Event-based Dependency for GPU Force Halo Exchange	blob \| commitdiff \| raw \| diff to current
2019-11-26	Alan Gray	Bug fix for nonlocal D2H coordinate transfer synchroniz...	blob \| commitdiff \| raw \| diff to current
2019-11-21	Mark Abraham	Merge branch release-2020	blob \| commitdiff \| raw \| diff to current
2019-11-20	Paul Bauer	Merge 'origin/release-2019' into release-2020	blob \| commitdiff \| raw \| diff to current
2019-11-15	ejjordan	Fuse two adjacent neighbor search branches in do_force	blob \| commitdiff \| raw \| diff to current
2019-11-14	ejjordan	Remove useGpuNonbonded from launchGpuEndOfStepTasks...	blob \| commitdiff \| raw \| diff to current
2019-11-07	Paul Bauer	Apply clang-format to source tree	blob \| commitdiff \| raw \| diff to current
2019-11-01	Alan Gray	Remove energy step dependence on GPU force buffer ops	blob \| commitdiff \| raw \| diff to current
2019-11-01	Berk Hess	Add haveEwaldSurfaceContribution to SimulationWorkload	blob \| commitdiff \| raw \| diff to current
2019-10-31	Alan Gray	Bug fix for event passed to GPU comm features	blob \| commitdiff \| raw \| diff to current
2019-10-31	Artem Zhmurov	Remove excessive H2D and D2H copies of forces when...	blob \| commitdiff \| raw \| diff to current
2019-10-30	Berk Hess	Fix walls with GPU update	blob \| commitdiff \| raw \| diff to current
2019-10-29	Berk Hess	Fix Ewald dipole correction with GPU update	blob \| commitdiff \| raw \| diff to current
2019-10-29	Paul Bauer	Merge "Merge branch 'release-2019' into master"	blob \| commitdiff \| raw \| diff to current
2019-10-29	Paul Bauer	Merge branch 'release-2019' into master	blob \| commitdiff \| raw \| diff to current
2019-10-28	Artem Zhmurov	Fix missing coordinate D2H copy with GPU update and...	blob \| commitdiff \| raw \| diff to current
2019-10-28	Artem Zhmurov	Add haveCpuLocalForces flag to DomainLifetimeWorkload	blob \| commitdiff \| raw \| diff to current
2019-10-28	Szilárd Páll	Extend SimulationWorkload with CPU flags	blob \| commitdiff \| raw \| diff to current
2019-10-23	Berk Hess	Move locality.h from nbnxm to mdtypes	blob \| commitdiff \| raw \| diff to current
2019-10-23	Berk Hess	Use gmx::Range in Nbnxm gridding functions	blob \| commitdiff \| raw \| diff to current
2019-10-22	Artem Zhmurov	Rename havePositionRestraints(...) to haveRestraints...	blob \| commitdiff \| raw \| diff to current
2019-10-21	Alan Gray	GPU Coordinate PME/PP Communications	blob \| commitdiff \| raw \| diff to current
2019-10-18	Alan Gray	GPU Receive for PME/PP GPU Force Communications	blob \| commitdiff \| raw \| diff to current
2019-10-18	Artem Zhmurov	Remove excessive H2D and D2H coordinates copies when...	blob \| commitdiff \| raw \| diff to current
2019-10-17	Szilárd Páll	Eliminate spurious GPU->CPU copy	blob \| commitdiff \| raw \| diff to current
2019-10-16	Szilárd Páll	Make the wait on nonbonded GPU results conditional	blob \| commitdiff \| raw \| diff to current
2019-10-15	Szilárd Páll	Trigger synchronizer when local forces are ready	blob \| commitdiff \| raw \| diff to current
2019-10-15	Alan Gray	PME/PP GPU Pimpl Class and GPU->CPU Communication for...	blob \| commitdiff \| raw \| diff to current
2019-10-15	Szilárd Páll	Link GPU coordinate producer and consumer tasks	blob \| commitdiff \| raw \| diff to current
2019-10-13	Szilárd Páll	Enable StatePropagatorGpuData for force transfers	blob \| commitdiff \| raw \| diff to current
2019-10-13	Szilárd Páll	Move buffer ops / PME F reduction flags into StepWorkload	blob \| commitdiff \| raw \| diff to current
2019-10-12	Artem Zhmurov	Centralize management of forces ready on GPU event	blob \| commitdiff \| raw \| diff to current
2019-10-12	Berk Hess	Add class FixedCapacityVector	blob \| commitdiff \| raw \| diff to current
2019-10-11	Artem Zhmurov	Wrong locality was used when ignoring the PME force...	blob \| commitdiff \| raw \| diff to current
2019-10-10	Szilárd Páll	Migrate code to using SimulationWorkload flags	blob \| commitdiff \| raw \| diff to current
2019-10-10	Szilárd Páll	Remove incorrect GPU task dependency	blob \| commitdiff \| raw \| diff to current
2019-10-10	Szilárd Páll	Pass list of EventSynchronizers to GPU reduction	blob \| commitdiff \| raw \| diff to current
2019-10-10	Paul Bauer	Basic population of simulation workload	blob \| commitdiff \| raw \| diff to current
2019-10-08	Berk Hess	Make nbnxm a proper module	blob \| commitdiff \| raw \| diff to current
2019-10-08	Prashanth Kanduri	Fused two if branches with the same conditional	blob \| commitdiff \| raw \| diff to current
2019-10-01	Artem Zhmurov	StatePropagatorDataGpu object to manage GPU forces...	blob \| commitdiff \| raw \| diff to current
2019-10-01	Berk Hess	Completely remove charge groups	blob \| commitdiff \| raw \| diff to current
2019-09-30	Carsten Kutzner	Move ForceProviders class into the gmx namespace	blob \| commitdiff \| raw \| diff to current
2019-09-25	Szilárd Páll	Merge remote-tracking branch 'origin/release-2019'	blob \| commitdiff \| raw \| diff to current
2019-09-24	Paul Bauer	Merge branch release-2019 into master	blob \| commitdiff \| raw \| diff to current
2019-09-19	Mark Abraham	Use GPU halo exchange only when compatible DD is available	blob \| commitdiff \| raw \| diff to current
2019-09-19	Berk Hess	Add haveFreeEnergyWork to DomainLifetimeWorkload flags	blob \| commitdiff \| raw \| diff to current
2019-09-18	Szilárd Páll	Set up workload data structures	blob \| commitdiff \| raw \| diff to current
2019-09-18	Alan Gray	GPU Force Halo Exchange	blob \| commitdiff \| raw \| diff to current
2019-09-16	Szilárd Páll	Refactor GPU buf ops-related launches in do_force()	blob \| commitdiff \| raw \| diff to current
2019-09-16	Alan Gray	GPU halo exchange	blob \| commitdiff \| raw \| diff to current
2019-09-12	Szilárd Páll	Reorganize on-GPU PME force reduction flag handling	blob \| commitdiff \| raw \| diff to current
2019-09-12	Berk Hess	Enable TPI with the Verlet cut-off scheme	blob \| commitdiff \| raw \| diff to current
2019-09-11	Artem Zhmurov	Decouple GPU force buffer management from buffer ops...	blob \| commitdiff \| raw \| diff to current
2019-09-11	Artem Zhmurov	Decouple coordinates buffer management from buffer...	blob \| commitdiff \| raw \| diff to current
2019-09-11	Artem Zhmurov	Reorganize PME code:	blob \| commitdiff \| raw \| diff to current
2019-09-10	Szilárd Páll	Eliminate raw force flags in do_force_lowlevel()	blob \| commitdiff \| raw \| diff to current
2019-09-09	Szilárd Páll	Pass gmx::ForceFlags to CPU nbnxm dispatch code	blob \| commitdiff \| raw \| diff to current
2019-09-09	Szilárd Páll	Pass the new gmx::ForceFlags to the nbnxm module	blob \| commitdiff \| raw \| diff to current
2019-09-04	Szilárd Páll	Centralize more MD/force shedule flags	blob \| commitdiff \| raw \| diff to current
2019-08-28	Szilárd Páll	Move nonbonded GPU wait timing into the GPU module	blob \| commitdiff \| raw \| diff to current
2019-08-23	Mark Abraham	Update clang-tidy to clang version 8	blob \| commitdiff \| raw \| diff to current
2019-08-22	Mark Abraham	Merge branch release-2019	blob \| commitdiff \| raw \| diff to current
2019-08-20	Mark Abraham	Apply clang-tidy-8 readability-uppercase-literal-suffix	blob \| commitdiff \| raw \| diff to current
2019-08-20	Berk Hess	Use shiftForces in ForceOuputs	blob \| commitdiff \| raw \| diff to current
2019-08-20	Berk Hess	Fix missing bonded forces with CUDA GPUs and DD	blob \| commitdiff \| raw \| diff to current
2019-08-16	Szilárd Páll	Fix sim_util.cpp copyright header	blob \| commitdiff \| raw \| diff to current
2019-08-15	Alan Gray	PME reduction for CUDA F buffer operations	blob \| commitdiff \| raw \| diff to current
2019-08-06	Berk Hess	Add ForceWithShiftForces class	blob \| commitdiff \| raw \| diff to current
2019-08-05	Berk Hess	Make box const in do_force()	blob \| commitdiff \| raw \| diff to current
2019-08-05	Berk Hess	Change ForceOutputs to a class	blob \| commitdiff \| raw \| diff to current
2019-08-01	Berk Hess	Remove a pointer in t_forcerec	blob \| commitdiff \| raw \| diff to current
2019-08-01	Paul Bauer	Merge release-2019 into master	blob \| commitdiff \| raw \| diff to current
2019-07-31	Szilárd Páll	Store wcycle pointer in nonbonded_verlet_t	blob \| commitdiff \| raw \| diff to current
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