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SYCL: Use acc.bind(cgh) instead of cgh.require(acc)
2021-11-03
Andrey Alekseenko
SYCL: Use acc.bind(cgh) instead of cgh.require(acc)
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2021-10-27
Andrey Alekseenko
Disable GPU buffer ops when using MTS
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2021-10-27
Szilárd Páll
Unify coordinate copy handling across GPU platforms
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2021-10-21
Andrey Alekseenko
Balance event consumption for GPU update code path
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2021-09-30
Berk Hess
Pad RVec force buffer in ThreadForceBuffer
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2021-09-27
Magnus Lundborg
[RFC] Change nonbonded-fep-test reference data to analytical...
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2021-09-23
Szilárd Páll
Fix incorrect event dependency of GPU update
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2021-09-16
Andrey Alekseenko
Add SYCL compiler and MKL versions
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2021-09-13
Mark Abraham
Fix issues from downstream patches and suppressions
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2021-08-25
Mark Abraham
Find rocFFT for hipSYCL build when targeting AMD devices
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2021-08-19
Szilárd Páll
Use workload flags more in do_md()
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2021-08-18
Szilárd Páll
Add PP decomposition simluationWorkload flags
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2021-08-17
Andrey Alekseenko
Add workaround for CorrelationsTest with Intel ICPX
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2021-08-02
Mark Abraham
Update to support CUDA 11.4
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2021-07-30
Szilárd Páll
Only define GMX_SYCL_DPCPP macro in SYLC builds
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2021-06-03
Szilárd Páll
Fix getLocalAtomCount()
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2021-05-10
Paul Bauer
Make python check if modules are available for checksumming
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2021-05-03
Szilárd Páll
Mention the users forums on the user-guide front page
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2021-04-22
Szilárd Páll
Fix doxygen of the SYCL atomicFetchAdd
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2021-03-25
Artem Zhmurov
Unify gpu_upload_shiftvec(...) function in NBNXM
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2021-03-17
Andrey Alekseenko
Use DeviceBuffer in GPU update and NBNXM code
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2021-03-03
Paul Bauer
Check version names to be correct for release
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2021-02-16
Szilárd Páll
Support checking event status in GpuEventSynchronizer
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2021-01-22
Szilárd Páll
Disable CUDA textures also on NVIDIA Ampere A100
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2020-12-30
Szilárd Páll
GROMACS 2021-rc1 release candidate
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2020-12-23
Mark Abraham
Deprecate .pdo file reading
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2020-12-02
Paul Bauer
Third GROMACS 2021 beta release
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2020-11-23
Artem Zhmurov
Make corresponding device active before each TestDevice...
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2020-11-04
Alan Gray
Allow GPU update without GPU DD
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2020-10-30
Paul Bauer
Fix unused variable warnings
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2020-10-27
Paul Bauer
Fix remaining clang tidy issues with OpenCL
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2020-10-09
Szilárd Páll
Fix NBLIB CMake error message
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2020-09-03
Szilárd Páll
Move mixplaced release notes entry
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2020-03-18
Mark Abraham
Simplify PME GPU constants
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2020-03-13
Artem Zhmurov
Combine initialization routines for GPUs assigned to...
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2020-03-13
Artem Zhmurov
Remove stream from GPU kernel launch config
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2020-03-03
Paul Bauer
Always hash files when building from release tarball
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2020-02-26
Szilárd Páll
Avoid mdrun terminate due to GPU sanity check errors
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2020-02-26
Szilárd Páll
Document NVIDIA OpenCL broken on Volta and Turing
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2020-02-11
Szilárd Páll
Fix incorrect GPU update task assignment fallback
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2020-01-31
Szilárd Páll
Remove BufferOpsUseGpu enum
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2020-01-20
Artem Zhmurov
Rename SettleCuda to SettleGpu
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2020-01-10
Szilárd Páll
Improve mdrun performance user guide
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2019-12-04
Christian Blau
Remove cutoff-scheme group from default mdout.mdp output
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2019-11-26
Artem Zhmurov
Remove the PBC management from LINCS, SETTLE and Leap...
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2019-10-31
Berk Hess
Update GPU update restrictions
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2019-10-30
Jonathan Vincent
Update PME CUDA spread/gather
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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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2019-10-22
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
Szilárd Páll
Remove unsupported configs from the gpuupdate matrix
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2019-10-21
Alan Gray
GPU Coordinate PME/PP Communications
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2019-10-18
Alan Gray
GPU Receive for PME/PP GPU Force Communications
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2019-10-18
Paul Bauer
Use clang-tidy-8
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2019-10-17
Szilárd Páll
Fix clang-tidy warnings in gpuhaloexchange_impl.cuh
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2019-10-15
Szilárd Páll
Trigger synchronizer when local forces are ready
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2019-10-15
Artem Zhmurov
Fix the single-GPU update-constraints
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2019-10-10
Szilárd Páll
Fix conditions for building StatePropagatorDataGpu
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2019-10-10
Szilárd Páll
Construct a struct with development feature flags
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2019-10-03
Berk Hess
Fix GPU atom data init timer issue
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2019-10-02
Artem Zhmurov
Eliminate D2D copy in update constraints
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2019-09-25
Szilárd Páll
Merge remote-tracking branch 'origin/release-2019'
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2019-09-18
Szilárd Páll
Set up workload data structures
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2019-09-18
Paul Bauer
Fix MSVC warning
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2019-09-17
Paul Bauer
Add deprecation note for 32 bit
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2019-09-16
Szilárd Páll
Refactor GPU buf ops-related launches in do_force()
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2019-09-13
Szilárd Páll
Fix GPU X buffer ops with empty domain
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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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2019-09-11
Szilárd Páll
Fix gpucomm matrix
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2019-09-06
Mark Abraham
Clean up commrec uniformly
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2019-09-04
Berk Hess
Collect settings for DD in DDSettings
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2019-09-03
Berk Hess
Remove gmx_domdec_t from dd_choose_grid()
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2019-09-03
Berk Hess
Extact UnitCellInfo from gmx_domdec_t
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2019-09-02
Mark Abraham
Move initialization of clFFT
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2019-08-26
Mark Abraham
Converted a CUDA config to use clang host-only compilation
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2019-08-23
Szilárd Páll
Fix clang tidy warnings in CUDA build
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2019-08-21
Mark Abraham
Improve organization of LINCS reporting
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2019-08-15
Alan Gray
PME reduction for CUDA F buffer operations
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2019-08-12
Szilárd Páll
Fix hwloc find package naming and quietness issues
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2019-07-26
Berk Hess
Remove sh_invrc6 from interaction_const_t
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2019-07-19
Alan Gray
F buffer operations in CUDA
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2019-07-16
Mark Abraham
Add gpubufferops test matrix
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2019-07-11
Szilárd Páll
Use HostVector for Grid/GridSet data need on-GPU
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2019-07-04
Szilárd Páll
Bump latest CUDA + gcc in the pre-submit matrix
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2019-07-04
Szilárd Páll
Fix a -Wformat-truncation warning in tng
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2019-07-01
Alan Gray
Bug fix and simplification for CUDA X Buffer Ops
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2019-06-17
Berk Hess
Simplify GPU nbnxm x conversion
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2019-05-22
Alan Gray
Code quality improvements for CUDA position buffer ops
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2019-05-20
Szilárd Páll
Improve X buffer ops kernel
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2019-05-10
Alan Gray
Position buffer ops in CUDA
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2019-03-27
Berk Hess
Fix nbnxm OpenCL with cluster size 4
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2019-02-07
Szilárd Páll
Require a 64-bit platform for OpenCL
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2019-01-18
Mark Abraham
Improve nvcc error reporting
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2019-01-02
Szilárd Páll
Fix clang 6 warning
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2018-12-31
Szilárd Páll
Fix release notes typo
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2018-12-20
Szilárd Páll
Merge "Merge branch release-2018 into release-2019...
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