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Removing code duplications in StatePropagatorDataGpu
2019-11-15
Artem Zhmurov
Removing code duplications in StatePropagatorDataGpu
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2019-11-13
Artem Zhmurov
Use same matrix for Parrinello-Rahman and Berendsen...
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2019-10-31
Artem Zhmurov
Remove excessive H2D and D2H copies of forces when...
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2019-10-29
Artem Zhmurov
Disable GPU update when coordinates swapping is enabled
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2019-10-29
Artem Zhmurov
Switch the GPU buffer ops on when update is on GPU
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2019-10-28
Artem Zhmurov
Fix missing coordinate D2H copy with GPU update and...
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2019-10-28
Artem Zhmurov
Add haveCpuLocalForces flag to DomainLifetimeWorkload
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2019-10-28
Artem Zhmurov
Allow using update flag
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2019-10-23
Artem Zhmurov
Slight improvements to decideWhetherToUseGpuForUpdate...
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2019-10-22
Artem Zhmurov
Remove unnecessary CUDA stream synchronization calls
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2019-10-22
Artem Zhmurov
Rename havePositionRestraints(...) to haveRestraints...
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2019-10-21
Artem Zhmurov
Update the copyright message
1. Add
Artem Zhmurov
to the list of contributors.
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2019-10-21
Artem Zhmurov
Add environment variable that changes the meaning of...
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2019-10-18
Artem Zhmurov
Remove excessive H2D and D2H coordinates copies when...
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2019-10-18
Artem Zhmurov
Remove excessive H2D and D2H copies of velocities when...
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2019-10-16
Artem Zhmurov
Link GPU force producer and consumer tasks
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2019-10-15
Artem Zhmurov
Fix the single-GPU update-constraints
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2019-10-14
Artem Zhmurov
Add separate constructor to StatePropagatorDataGpu...
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2019-10-12
Artem Zhmurov
Centralize management of forces ready on GPU event
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2019-10-12
Artem Zhmurov
Change copy mode to Async in PME only rank
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2019-10-12
Artem Zhmurov
Centralize management of coordinates ready on GPU event
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2019-10-11
Artem Zhmurov
Wrong locality was used when ignoring the PME force...
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2019-10-10
Artem Zhmurov
Add management for velocities and forces copy events...
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2019-10-08
Artem Zhmurov
Fix for the recent nightly failure
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2019-10-07
Artem Zhmurov
Pass the GPU streams to StatePropagatorDataGpu constructor
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2019-10-07
Artem Zhmurov
Clean up the comments sections in Update-Constrain
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2019-10-07
Artem Zhmurov
Fix a bug in GPU halo exchange initialization
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2019-10-03
Artem Zhmurov
Fix the bug with offloading the PME-only ranks to GPU
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2019-10-02
Artem Zhmurov
Eliminate D2D copy in update constraints
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2019-10-01
Artem Zhmurov
StatePropagatorDataGpu object to manage GPU forces...
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2019-09-27
Artem Zhmurov
Slight improvements to GPU update/constraints initialization
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2019-09-27
Artem Zhmurov
Introduce stream management to GPU Update-Constraints
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2019-09-22
Artem Zhmurov
Disable GPU update/constraints when neither PME nor...
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2019-09-12
Artem Zhmurov
Change PaddedVector to PaddedHostVector for force CPU...
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2019-09-11
Artem Zhmurov
Fix for the post-submit failure
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2019-09-11
Artem Zhmurov
Decouple GPU force buffer management from buffer ops...
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2019-09-11
Artem Zhmurov
Decouple coordinates buffer management from buffer...
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2019-09-11
Artem Zhmurov
Reorganize PME code:
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2019-09-10
Artem Zhmurov
Making DeviceBuffer availible in non-GPU builds
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2019-09-03
Artem Zhmurov
Add Parrinello-Rahman pressure coupling to CUDA Leap...
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2019-08-26
Artem Zhmurov
Add temperature coupling to CUDA Leap-Frog integrator
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2019-08-25
Artem Zhmurov
Make use of recent changes to prepareKernelArguments...
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2019-08-25
Artem Zhmurov
Misceleneous improvements to the Leap Frog tests
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2019-08-14
Artem Zhmurov
BugFix: Zeroing the padded area of coordinates vectors...
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2019-08-13
Artem Zhmurov
Make use of reference data in integrator tests
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2019-08-13
Artem Zhmurov
Make use of reference data in SETTLE tests
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2019-08-09
Artem Zhmurov
Prepare Update and Constraints for Domain Decomposition
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2019-08-09
Artem Zhmurov
Refactoring of the SETTLE tests
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2019-08-08
Artem Zhmurov
Refactor Leap-Frog tests and connect them to CPU version
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2019-08-06
Artem Zhmurov
Fix for cmake lists in mdlib tests
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2019-08-06
Artem Zhmurov
Remove PImpl scaffolding from CUDA version of Leap...
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2019-07-31
Artem Zhmurov
Change the file structure in constraints tests
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2019-07-31
Artem Zhmurov
Introduce function that checks if the computations...
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2019-07-26
Artem Zhmurov
Remove PImpl scaffolding from CUDA version of SETTLE
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2019-07-05
Artem Zhmurov
Remove PImpl scaffolding from CUDA version of LINCS
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2019-07-04
Artem Zhmurov
Use reallocateDeviceBuffer(...) in CUDA version of...
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2019-07-03
Artem Zhmurov
Early exit for CUDA versions of SETTLE and LINCS
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2019-07-03
Artem Zhmurov
Memory management fixes in CUDA version of LINCS
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2019-07-03
Artem Zhmurov
Combine CUDA Leap-Frog, LINCS and SETTLE. II.
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2019-06-18
Artem Zhmurov
Combine CUDA Leap-Frog, LINCS and SETTLE. I.
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2019-06-18
Artem Zhmurov
Bug fix: Constraints tests are not instantiated with...
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2019-05-24
Artem Zhmurov
Clarify which of the main energy terms are printed.
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2019-05-24
Artem Zhmurov
Clarify the EnergyOutput III
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2019-05-24
Artem Zhmurov
Clarify the EnergyOutput II
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2019-05-13
Artem Zhmurov
Clarify the EnergyOutput I
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2019-05-12
Artem Zhmurov
CUDA version of Leap-Frog integrator with basic tests
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2019-05-06
Artem Zhmurov
Fixing minor memory issues in MDLib
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2019-05-02
Artem Zhmurov
Use test with parameters for EnergyOutput
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2019-04-30
Artem Zhmurov
CUDA version of SETTLE algorithm with basic tests
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2019-04-29
Artem Zhmurov
Fix for the CUDA version of LINCS
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2019-04-28
Artem Zhmurov
CUDA version of LINCS constraints.
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2019-04-25
Artem Zhmurov
Improvements for energy output test.
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2019-04-16
Artem Zhmurov
Fix for the memory access error in constraints test.
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2019-04-04
Artem Zhmurov
Remove isPressureCouplingStep(...)
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2019-04-04
Artem Zhmurov
Remove isTemperatureCouplingStep(...)
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2019-03-28
Artem Zhmurov
GPU naming conventions
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2019-03-25
Artem Zhmurov
Remove unused headers
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2019-03-13
Artem Zhmurov
Basic routines to handle periodic boundary.
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2019-02-21
Artem Zhmurov
Test for LINCS and SHAKE constraints.
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2019-02-19
Artem Zhmurov
PBC setup for GPU is moved into pbcutils.
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2019-02-13
Artem Zhmurov
Ignore Visual Studio Code metadata.
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2018-12-27
Artem Zhmurov
The tests for LINCS and SHAKE constraints.
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