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Remove unnecessary CUDA stream synchronization calls
2019-10-22 Artem ZhmurovRemove unnecessary CUDA stream synchronization calls
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2019-10-22 Artem ZhmurovRename havePositionRestraints(...) to haveRestraints...
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2019-10-21 Artem ZhmurovUpdate the copyright message
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2019-10-21 Artem ZhmurovAdd environment variable that changes the meaning of...
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2019-10-18 Artem ZhmurovRemove excessive H2D and D2H coordinates copies when...
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2019-10-18 Artem ZhmurovRemove excessive H2D and D2H copies of velocities when...
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2019-10-16 Artem ZhmurovLink GPU force producer and consumer tasks
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2019-10-15 Artem ZhmurovFix the single-GPU update-constraints
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2019-10-14 Artem ZhmurovAdd separate constructor to StatePropagatorDataGpu...
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2019-10-12 Artem ZhmurovCentralize management of forces ready on GPU event
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2019-10-12 Artem ZhmurovChange copy mode to Async in PME only rank
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2019-10-12 Artem ZhmurovCentralize management of coordinates ready on GPU event
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2019-10-11 Artem ZhmurovWrong locality was used when ignoring the PME force...
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2019-10-10 Artem ZhmurovAdd management for velocities and forces copy events...
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2019-10-08 Artem ZhmurovFix for the recent nightly failure
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2019-10-07 Artem ZhmurovPass the GPU streams to StatePropagatorDataGpu constructor
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2019-10-07 Artem ZhmurovClean up the comments sections in Update-Constrain
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2019-10-07 Artem ZhmurovFix a bug in GPU halo exchange initialization
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2019-10-03 Artem ZhmurovFix the bug with offloading the PME-only ranks to GPU
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2019-10-02 Artem ZhmurovEliminate D2D copy in update constraints
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2019-10-01 Artem ZhmurovStatePropagatorDataGpu object to manage GPU forces...
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2019-09-27 Artem ZhmurovSlight improvements to GPU update/constraints initialization
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2019-09-27 Artem ZhmurovIntroduce stream management to GPU Update-Constraints
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2019-09-22 Artem ZhmurovDisable GPU update/constraints when neither PME nor...
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2019-09-12 Artem ZhmurovChange PaddedVector to PaddedHostVector for force CPU...
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2019-09-11 Artem ZhmurovFix for the post-submit failure
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2019-09-11 Artem ZhmurovDecouple GPU force buffer management from buffer ops...
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2019-09-11 Artem ZhmurovDecouple coordinates buffer management from buffer...
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2019-09-11 Artem ZhmurovReorganize PME code:
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2019-09-10 Artem ZhmurovMaking DeviceBuffer availible in non-GPU builds
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2019-09-03 Artem ZhmurovAdd Parrinello-Rahman pressure coupling to CUDA Leap...
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2019-08-26 Artem ZhmurovAdd temperature coupling to CUDA Leap-Frog integrator
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2019-08-25 Artem ZhmurovMake use of recent changes to prepareKernelArguments...
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2019-08-25 Artem ZhmurovMisceleneous improvements to the Leap Frog tests
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2019-08-14 Artem ZhmurovBugFix: Zeroing the padded area of coordinates vectors...
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2019-08-13 Artem ZhmurovMake use of reference data in integrator tests
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2019-08-13 Artem ZhmurovMake use of reference data in SETTLE tests
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2019-08-09 Artem ZhmurovPrepare Update and Constraints for Domain Decomposition
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2019-08-09 Artem ZhmurovRefactoring of the SETTLE tests
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2019-08-08 Artem ZhmurovRefactor Leap-Frog tests and connect them to CPU version
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2019-08-06 Artem ZhmurovFix for cmake lists in mdlib tests
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2019-08-06 Artem ZhmurovRemove PImpl scaffolding from CUDA version of Leap...
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2019-07-31 Artem ZhmurovChange the file structure in constraints tests
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2019-07-31 Artem ZhmurovIntroduce function that checks if the computations...
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2019-07-26 Artem ZhmurovRemove PImpl scaffolding from CUDA version of SETTLE
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2019-07-05 Artem ZhmurovRemove PImpl scaffolding from CUDA version of LINCS
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2019-07-04 Artem ZhmurovUse reallocateDeviceBuffer(...) in CUDA version of...
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2019-07-03 Artem ZhmurovEarly exit for CUDA versions of SETTLE and LINCS
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2019-07-03 Artem ZhmurovMemory management fixes in CUDA version of LINCS
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2019-07-03 Artem ZhmurovCombine CUDA Leap-Frog, LINCS and SETTLE. II.
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2019-06-18 Artem ZhmurovCombine CUDA Leap-Frog, LINCS and SETTLE. I.
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2019-06-18 Artem ZhmurovBug fix: Constraints tests are not instantiated with...
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2019-05-24 Artem ZhmurovClarify which of the main energy terms are printed.
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2019-05-24 Artem ZhmurovClarify the EnergyOutput III
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2019-05-24 Artem ZhmurovClarify the EnergyOutput II
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2019-05-13 Artem ZhmurovClarify the EnergyOutput I
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2019-05-12 Artem ZhmurovCUDA version of Leap-Frog integrator with basic tests
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2019-05-06 Artem ZhmurovFixing minor memory issues in MDLib
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2019-05-02 Artem ZhmurovUse test with parameters for EnergyOutput
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2019-04-30 Artem ZhmurovCUDA version of SETTLE algorithm with basic tests
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2019-04-29 Artem ZhmurovFix for the CUDA version of LINCS
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2019-04-28 Artem ZhmurovCUDA version of LINCS constraints.
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2019-04-25 Artem ZhmurovImprovements for energy output test.
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2019-04-16 Artem ZhmurovFix for the memory access error in constraints test.
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2019-04-04 Artem ZhmurovRemove isPressureCouplingStep(...)
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2019-04-04 Artem ZhmurovRemove isTemperatureCouplingStep(...)
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2019-03-28 Artem ZhmurovGPU naming conventions
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2019-03-25 Artem ZhmurovRemove unused headers
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2019-03-13 Artem ZhmurovBasic routines to handle periodic boundary.
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2019-02-21 Artem ZhmurovTest for LINCS and SHAKE constraints.
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2019-02-19 Artem ZhmurovPBC setup for GPU is moved into pbcutils.
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2019-02-13 Artem ZhmurovIgnore Visual Studio Code metadata.
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2018-12-27 Artem ZhmurovThe tests for LINCS and SHAKE constraints.
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The ultimate molecular dynamics simulation package