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2020-01-29	Artem Zhmurov	Remove the rest of the device coordinates management...	commit \| commitdiff \| tree
2020-01-29	Artem Zhmurov	Rename UpdateConstraintsCuda to UpdateConstraintsGpu	commit \| commitdiff \| tree
2020-01-20	Artem Zhmurov	Rename SettleCuda to SettleGpu	commit \| commitdiff \| tree
2020-01-20	Artem Zhmurov	Rename LincsCuda into LincsGpu	commit \| commitdiff \| tree
2020-01-20	Artem Zhmurov	Rename LeapFrogCuda to LeapFrogGpu	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
2019-12-31	Artem Zhmurov	Inform user why forcing GPU update is not possible	commit \| commitdiff \| tree
2019-12-31	Artem Zhmurov	Add description of GMX_FORCE_UPDATE_DEFAULT_GPU dev...	commit \| commitdiff \| tree
2019-12-31	Artem Zhmurov	Fix gpuupdate matrix	commit \| commitdiff \| tree
2019-12-28	Artem Zhmurov	Change the behavior of the GPU update UI	commit \| commitdiff \| tree
2019-12-27	Artem Zhmurov	Add a note to the log file when -update gpu was set...	commit \| commitdiff \| tree
2019-12-27	Artem Zhmurov	Clean bad auto-format in decidegpuusage doxygen comments	commit \| commitdiff \| tree
2019-12-17	Artem Zhmurov	Clean-up buffer-ops CUDA kernels	commit \| commitdiff \| tree
2019-12-13	Artem Zhmurov	Clean up outdated comments in md.cpp	commit \| commitdiff \| tree
2019-12-12	Artem Zhmurov	Allow using GPU update with DD and update groups	commit \| commitdiff \| tree
2019-12-11	Artem Zhmurov	Enable most of the pulling flavors with GPU update	commit \| commitdiff \| tree
2019-12-11	Artem Zhmurov	Clarify what setting zero to some output mdp options...	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
2019-12-06	Artem Zhmurov	Pass array ref instead of casting to basic array in...	commit \| commitdiff \| tree
2019-11-29	Artem Zhmurov	Print OpenCL error info in case of failed assertion...	commit \| commitdiff \| tree
2019-11-29	Artem Zhmurov	Make Leap-Frog CUDA kernel selection safer	commit \| commitdiff \| tree
2019-11-29	Artem Zhmurov	Rename some variables in GPU Update	commit \| commitdiff \| tree
2019-11-28	Artem Zhmurov	Clear device force buffer if it was reallocated	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	Artem Zhmurov	Add method for coordinates scaling into GPU update...	commit \| commitdiff \| tree
2019-11-26	Artem Zhmurov	Remove the PBC management from LINCS, SETTLE and Leap...	commit \| commitdiff \| tree
2019-11-25	Artem Zhmurov	Use same matrix for Parrinello-Rahman and Berendsen...	commit \| commitdiff \| tree
2019-11-25	Artem Zhmurov	Fix index mapping issue with LINCS on GPU	commit \| commitdiff \| tree
2019-11-23	Artem Zhmurov	New cool quote	commit \| commitdiff \| tree
2019-11-20	Artem Zhmurov	Add D2H copies for the checkpointing	commit \| commitdiff \| tree
2019-11-20	Artem Zhmurov	Move the copy of the velocities for the output closer...	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	Artem Zhmurov	Use same matrix for Parrinello-Rahman and Berendsen...	commit \| commitdiff \| tree
2019-10-31	Artem Zhmurov	Remove excessive H2D and D2H copies of forces when...	commit \| commitdiff \| tree
2019-10-29	Artem Zhmurov	Disable GPU update when coordinates swapping is enabled	commit \| commitdiff \| tree
2019-10-29	Artem Zhmurov	Switch the GPU buffer ops on when update is on GPU	commit \| commitdiff \| tree
2019-10-28	Artem Zhmurov	Fix missing coordinate D2H copy with GPU update and...	commit \| commitdiff \| tree
2019-10-28	Artem Zhmurov	Add haveCpuLocalForces flag to DomainLifetimeWorkload	commit \| commitdiff \| tree
2019-10-28	Artem Zhmurov	Allow using update flag	commit \| commitdiff \| tree
2019-10-23	Artem Zhmurov	Slight improvements to decideWhetherToUseGpuForUpdate...	commit \| commitdiff \| tree
2019-10-22	Artem Zhmurov	Remove unnecessary CUDA stream synchronization calls	commit \| commitdiff \| tree
2019-10-22	Artem Zhmurov	Rename havePositionRestraints(...) to haveRestraints...	commit \| commitdiff \| tree
2019-10-21	Artem Zhmurov	Update the copyright message	commit \| commitdiff \| tree
2019-10-21	Artem Zhmurov	Add environment variable that changes the meaning of...	commit \| commitdiff \| tree
2019-10-18	Artem Zhmurov	Remove excessive H2D and D2H coordinates copies when...	commit \| commitdiff \| tree
2019-10-18	Artem Zhmurov	Remove excessive H2D and D2H copies of velocities when...	commit \| commitdiff \| tree
2019-10-16	Artem Zhmurov	Link GPU force producer and consumer tasks	commit \| commitdiff \| tree
2019-10-15	Artem Zhmurov	Fix the single-GPU update-constraints	commit \| commitdiff \| tree
2019-10-14	Artem Zhmurov	Add separate constructor to StatePropagatorDataGpu...	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
2019-10-12	Artem Zhmurov	Centralize management of coordinates ready on GPU event	commit \| commitdiff \| tree
2019-10-11	Artem Zhmurov	Wrong locality was used when ignoring the PME force...	commit \| commitdiff \| tree
2019-10-10	Artem Zhmurov	Add management for velocities and forces copy events...	commit \| commitdiff \| tree
2019-10-08	Artem Zhmurov	Fix for the recent nightly failure	commit \| commitdiff \| tree
2019-10-07	Artem Zhmurov	Pass the GPU streams to StatePropagatorDataGpu constructor	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	Artem Zhmurov	Fix the bug with offloading the PME-only ranks to GPU	commit \| commitdiff \| tree
2019-10-02	Artem Zhmurov	Eliminate D2D copy in update constraints	commit \| commitdiff \| tree
2019-10-01	Artem Zhmurov	StatePropagatorDataGpu object to manage GPU forces...	commit \| commitdiff \| tree
2019-09-27	Artem Zhmurov	Slight improvements to GPU update/constraints initialization	commit \| commitdiff \| tree
2019-09-27	Artem Zhmurov	Introduce stream management to GPU Update-Constraints	commit \| commitdiff \| tree
2019-09-22	Artem Zhmurov	Disable GPU update/constraints when neither PME nor...	commit \| commitdiff \| tree
2019-09-12	Artem Zhmurov	Change PaddedVector to PaddedHostVector for force CPU...	commit \| commitdiff \| tree
2019-09-11	Artem Zhmurov	Fix for the post-submit failure	commit \| commitdiff \| tree
2019-09-11	Artem Zhmurov	Decouple GPU force buffer management from buffer ops...	commit \| commitdiff \| tree
2019-09-11	Artem Zhmurov	Decouple coordinates buffer management from buffer...	commit \| commitdiff \| tree
2019-09-11	Artem Zhmurov	Reorganize PME code:	commit \| commitdiff \| tree
2019-09-10	Artem Zhmurov	Making DeviceBuffer availible in non-GPU builds	commit \| commitdiff \| tree
2019-09-03	Artem Zhmurov	Add Parrinello-Rahman pressure coupling to CUDA Leap...	commit \| commitdiff \| tree
2019-08-26	Artem Zhmurov	Add temperature coupling to CUDA Leap-Frog integrator	commit \| commitdiff \| tree
2019-08-25	Artem Zhmurov	Make use of recent changes to prepareKernelArguments...	commit \| commitdiff \| tree
2019-08-25	Artem Zhmurov	Misceleneous improvements to the Leap Frog tests	commit \| commitdiff \| tree
2019-08-14	Artem Zhmurov	BugFix: Zeroing the padded area of coordinates vectors...	commit \| commitdiff \| tree
2019-08-13	Artem Zhmurov	Make use of reference data in integrator tests	commit \| commitdiff \| tree
2019-08-13	Artem Zhmurov	Make use of reference data in SETTLE tests	commit \| commitdiff \| tree
2019-08-09	Artem Zhmurov	Prepare Update and Constraints for Domain Decomposition	commit \| commitdiff \| tree
2019-08-09	Artem Zhmurov	Refactoring of the SETTLE tests	commit \| commitdiff \| tree
2019-08-08	Artem Zhmurov	Refactor Leap-Frog tests and connect them to CPU version	commit \| commitdiff \| tree
2019-08-06	Artem Zhmurov	Fix for cmake lists in mdlib tests	commit \| commitdiff \| tree
2019-08-06	Artem Zhmurov	Remove PImpl scaffolding from CUDA version of Leap...	commit \| commitdiff \| tree
2019-07-31	Artem Zhmurov	Change the file structure in constraints tests	commit \| commitdiff \| tree
2019-07-31	Artem Zhmurov	Introduce function that checks if the computations...	commit \| commitdiff \| tree
2019-07-26	Artem Zhmurov	Remove PImpl scaffolding from CUDA version of SETTLE	commit \| commitdiff \| tree
2019-07-05	Artem Zhmurov	Remove PImpl scaffolding from CUDA version of LINCS	commit \| commitdiff \| tree
2019-07-04	Artem Zhmurov	Use reallocateDeviceBuffer(...) in CUDA version of...	commit \| commitdiff \| tree
2019-07-03	Artem Zhmurov	Early exit for CUDA versions of SETTLE and LINCS	commit \| commitdiff \| tree
2019-07-03	Artem Zhmurov	Memory management fixes in CUDA version of LINCS	commit \| commitdiff \| tree
2019-07-03	Artem Zhmurov	Combine CUDA Leap-Frog, LINCS and SETTLE. II.	commit \| commitdiff \| tree
2019-06-18	Artem Zhmurov	Combine CUDA Leap-Frog, LINCS and SETTLE. I.	commit \| commitdiff \| tree
2019-06-18	Artem Zhmurov	Bug fix: Constraints tests are not instantiated with...	commit \| commitdiff \| tree
2019-05-24	Artem Zhmurov	Clarify which of the main energy terms are printed.	commit \| commitdiff \| tree
2019-05-24	Artem Zhmurov	Clarify the EnergyOutput III	commit \| commitdiff \| tree
2019-05-24	Artem Zhmurov	Clarify the EnergyOutput II	commit \| commitdiff \| tree
2019-05-13	Artem Zhmurov	Clarify the EnergyOutput I	commit \| commitdiff \| tree
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