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2020-03-18	Artem Zhmurov	Make some doxygen errors more clear	commit \| commitdiff \| tree
2020-03-13	Mark Abraham	Require padded atom data for PME GPU	commit \| commitdiff \| tree
2020-03-11	Szilárd Páll	Reorganize dipole calculation in do_force	commit \| commitdiff \| tree
2020-03-11	Artem Zhmurov	Fix the post-submit failures	commit \| commitdiff \| tree
2020-03-11	Christian Blau	Amend optional documentation	commit \| commitdiff \| tree
2020-03-09	Mark Abraham	Consolidate PME GPU spline infrastructure	commit \| commitdiff \| tree
2020-03-05	Berk Hess	Add InteractionDefinitions	commit \| commitdiff \| tree
2020-03-04	Magnus Lundborg	Separate AWH parameter reading and checking	commit \| commitdiff \| tree
2020-03-03	Artem Zhmurov	Move the PmePPCommGpu initialization from forcerec...	commit \| commitdiff \| tree
2020-03-02	Paul Bauer	Add Cuda build to gitlab CI	commit \| commitdiff \| tree
2020-02-25	Artem Zhmurov	Fix the RVec to float3 conversion test	commit \| commitdiff \| tree
2020-02-22	David van der Spoel	Fixed bug in gmx disre due to inconsistency in input.	commit \| commitdiff \| tree
2020-02-22	Artem Zhmurov	Add missing header and disable failing test	commit \| commitdiff \| tree
2020-02-20	Artem Zhmurov	Do not call PME GPU builder in CPU code paths	commit \| commitdiff \| tree
2020-02-20	Artem Zhmurov	Use GROMACS wrappers for EXPECT_THROW/NO_THROW in PME...	commit \| commitdiff \| tree
2020-02-17	Szilárd Páll	Add simulation workload flag for dipole computation	commit \| commitdiff \| tree
2020-02-15	Szilárd Páll	Fix gpuudpate and gpucomm matrix docs	commit \| commitdiff \| tree
2020-02-15	Berk Hess	Remove 1 pulse DD request	commit \| commitdiff \| tree
2020-02-15	Alan Gray	Multiple pulses for GPU Halo Exchange	commit \| commitdiff \| tree
2020-02-11	Artem Zhmurov	Clean up trivial function and duplicating macroses...	commit \| commitdiff \| tree
2020-02-11	Artem Zhmurov	Fix the nightly failure	commit \| commitdiff \| tree
2020-02-08	Artem Zhmurov	Temporary disable RVec->float3 conversion test to fix...	commit \| commitdiff \| tree
2020-02-06	Artem Zhmurov	Move DeviceInfo into GPU traits	commit \| commitdiff \| tree
2020-02-05	Artem Zhmurov	Make OpenCL DeviceVendor into enum class and move to...	commit \| commitdiff \| tree
2020-02-05	Artem Zhmurov	Move non-bonded initialization out of the forcerec	commit \| commitdiff \| tree
2020-02-05	Pascal Merz	Test PaddedVector to ArrayRef conversion	commit \| commitdiff \| tree
2020-02-05	Artem Zhmurov	Fix typo in and remove a couple of duplicates from...	commit \| commitdiff \| tree
2020-02-01	Artem Zhmurov	Couple cool quotes	commit \| commitdiff \| tree
2020-02-01	Artem Zhmurov	Merge "Merge branch origin/release-2020 into master"	commit \| commitdiff \| tree
2020-01-29	Artem Zhmurov	Reorganize GPU stuff initialization in PME-only ranks	commit \| commitdiff \| tree
2020-01-29	Artem Zhmurov	Rename UpdateConstraintsCuda to UpdateConstraintsGpu	commit \| commitdiff \| tree
2020-01-24	Paul Bauer	Add cool quotes	commit \| commitdiff \| tree
2020-01-24	Szilárd Páll	Fix deadlock in PP-PME balancing startup delay	commit \| commitdiff \| tree
2020-01-22	Berk Hess	Clarify COMM/posres grompp note	commit \| commitdiff \| tree
2020-01-19	Szilárd Páll	Template X buffer ops on setFillerCoords	commit \| commitdiff \| tree
2020-01-09	Artem Zhmurov	Change signature of the setPbc(...) method in update...	commit \| commitdiff \| tree
2020-01-09	Artem Zhmurov	Make PBC type enumeration into PbcType enum class	commit \| commitdiff \| tree
2020-01-09	Alan Gray	Fix memory address bug in GPU PME coordinate address...	commit \| commitdiff \| tree
2019-12-30	Mark Abraham	Remove use of tuple in LINCS code for GPU implementation	commit \| commitdiff \| tree
2019-12-20	Paul Bauer	Fix wrong header in release notes	commit \| commitdiff \| tree
2019-12-18	Alan Gray	Fix conditional on assertion for combining GPU Update...	commit \| commitdiff \| tree
2019-12-17	Berk Hess	Add note for COM removal with position restraints	commit \| commitdiff \| tree
2019-12-17	Artem Zhmurov	Clean-up buffer-ops CUDA kernels	commit \| commitdiff \| tree
2019-12-17	Szilárd Páll	Comment the use of waitCoordinatesCopiedToDevice	commit \| commitdiff \| tree
2019-12-17	Paul Bauer	Set correct dependency for doc build on gmxapi	commit \| commitdiff \| tree
2019-12-17	Paul Bauer	Fix compiler warning about extra ;	commit \| commitdiff \| tree
2019-12-17	Szilárd Páll	Add wallcycle counting to StatePropagatorDataGpu	commit \| commitdiff \| tree
2019-12-12	Paul Bauer	Merge branch 'origin/release-2020' into master	commit \| commitdiff \| tree
2019-12-11	Artem Zhmurov	Enable most of the pulling flavors with GPU update	commit \| commitdiff \| tree
2019-12-10	Artem Zhmurov	Avoid unnecessary reinterpret_cast of coordinates buffer	commit \| commitdiff \| tree
2019-12-10	Artem Zhmurov	Set GPU update to false in case of a rerun	commit \| commitdiff \| tree
2019-11-29	Artem Zhmurov	Make Leap-Frog CUDA kernel selection safer	commit \| commitdiff \| tree
2019-11-28	Artem Zhmurov	Fix pressure coupling with GPU update	commit \| commitdiff \| tree
2019-11-27	Artem Zhmurov	Combine two booleans in md loop	commit \| commitdiff \| tree
2019-11-27	Mark Abraham	Disable GPU PME-PP communication with mdrun -pmefft cpu	commit \| commitdiff \| tree
2019-11-26	Alan Gray	Bug fix for nonlocal D2H coordinate transfer synchronization	commit \| commitdiff \| tree
2019-11-23	Artem Zhmurov	New cool quote	commit \| commitdiff \| tree
2019-11-20	Alan Gray	Move pmePpCommGpu reset outside do_md	commit \| commitdiff \| tree
2019-11-19	Mark Abraham	Updated release notes for CODATA update	commit \| commitdiff \| tree
2019-11-19	Artem Zhmurov	Fix icc-19 warning in nightly matrix	commit \| commitdiff \| tree
2019-11-15	Artem Zhmurov	Removing code duplications in StatePropagatorDataGpu	commit \| commitdiff \| tree
2019-11-13	Paul Bauer	Add build to run clang-format update on Jenkins	commit \| commitdiff \| tree
2019-11-03	Szilárd Páll	Improve SimulationWorkload doxygen	commit \| commitdiff \| tree
2019-10-30	Berk Hess	Fix walls with GPU update	commit \| commitdiff \| tree
2019-10-29	Berk Hess	Disable pressure coupling with GPU update	commit \| commitdiff \| tree
2019-10-28	Szilárd Páll	Extend SimulationWorkload with CPU flags	commit \| commitdiff \| tree
2019-10-21	Szilárd Páll	Override GMX_GPU_DD_COMMS if nonbondeds are off	commit \| commitdiff \| tree
2019-10-18	Artem Zhmurov	Remove excessive H2D and D2H coordinates copies when...	commit \| commitdiff \| tree
2019-10-17	Szilárd Páll	Disable GMX_GPU_PME_PP_COMMS if PME is not offloaded	commit \| commitdiff \| tree
2019-10-16	Szilárd Páll	Fix initialization of field in PME data structure	commit \| commitdiff \| tree
2019-10-16	Artem Zhmurov	Link GPU force producer and consumer tasks	commit \| commitdiff \| tree
2019-10-15	Alan Gray	PME/PP GPU Pimpl Class and GPU->CPU Communication for...	commit \| commitdiff \| tree
2019-10-15	Szilárd Páll	Link GPU coordinate producer and consumer tasks	commit \| commitdiff \| tree
2019-10-14	Artem Zhmurov	Add separate constructor to StatePropagatorDataGpu...	commit \| commitdiff \| tree
2019-10-13	Szilárd Páll	Enable StatePropagatorGpuData for force transfers	commit \| commitdiff \| tree
2019-10-13	Szilárd Páll	Move buffer ops / PME F reduction flags into StepWorkload	commit \| commitdiff \| tree
2019-10-12	Artem Zhmurov	Centralize management of forces ready on GPU event	commit \| commitdiff \| tree
2019-10-12	Artem Zhmurov	Change copy mode to Async in PME only rank	commit \| commitdiff \| tree
2019-10-11	Artem Zhmurov	Wrong locality was used when ignoring the PME force...	commit \| commitdiff \| tree
2019-10-10	Szilárd Páll	Migrate code to using SimulationWorkload flags	commit \| commitdiff \| tree
2019-10-10	Szilárd Páll	Remove incorrect GPU task dependency	commit \| commitdiff \| tree
2019-10-10	Szilárd Páll	Pass list of EventSynchronizers to GPU reduction	commit \| commitdiff \| tree
2019-10-10	Paul Bauer	Basic population of simulation workload	commit \| commitdiff \| tree
2019-10-10	Artem Zhmurov	Add management for velocities and forces copy events...	commit \| commitdiff \| tree
2019-10-10	Szilárd Páll	Add management for coordinates copy events into StatePropaga...	commit \| commitdiff \| tree
2019-10-07	Artem Zhmurov	Pass the GPU streams to StatePropagatorDataGpu constructor	commit \| commitdiff \| tree
2019-10-07	Mark Abraham	Extend GPU traits class	commit \| commitdiff \| tree
2019-10-07	Artem Zhmurov	Clean up the comments sections in Update-Constrain	commit \| commitdiff \| tree
2019-10-07	Artem Zhmurov	Fix a bug in GPU halo exchange initialization	commit \| commitdiff \| tree
2019-10-03	Berk Hess	Use gmx::Range for iZones in pair search	commit \| commitdiff \| tree
2019-10-02	Carsten Kutzner	Update the www link to the Doxygen documentation in...	commit \| commitdiff \| tree
2019-09-30	Szilárd Páll	Move PME GPU program building later	commit \| commitdiff \| tree
2019-09-27	Artem Zhmurov	Slight improvements to GPU update/constraints initialization	commit \| commitdiff \| tree
2019-09-27	Szilárd Páll	Switch GPU update off by default	commit \| commitdiff \| tree
2019-09-27	Artem Zhmurov	Introduce stream management to GPU Update-Constraints	commit \| commitdiff \| tree
2019-09-27	Berk Hess	Extract gmx::Range	commit \| commitdiff \| tree
2019-09-27	Mark Abraham	Stop checking CUDA version reported by nvcc	commit \| commitdiff \| tree
2019-09-22	Artem Zhmurov	Disable GPU update/constraints when neither PME nor...	commit \| commitdiff \| tree
2019-09-11	Mark Abraham	Make gmx_multisim_t a C++ object	commit \| commitdiff \| tree
2019-09-10	Mark Abraham	Avoid warning in no-mpi build	commit \| commitdiff \| tree
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