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SYCL: Use acc.bind(cgh) instead of cgh.require(acc)
[alexxy/gromacs.git]
/
src
/
gromacs
/
taskassignment
/
2021-10-29
Berk Hess
Reimplement constant acceleration groups
tree
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commitdiff
2021-10-27
Andrey Alekseenko
Disable GPU buffer ops when using MTS
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commitdiff
2021-10-22
Andrey Alekseenko
Activate GPU update support in SYCL build
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commitdiff
2021-10-21
Andrey Alekseenko
Unify a bit decideWhetherToUseGpusForPme* functions
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commitdiff
2021-10-18
Andrey Alekseenko
Merge release-2021 into master
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commitdiff
2021-10-18
Andrey Alekseenko
Disable PME Mixed mode with FEP
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commitdiff
2021-09-24
Berk Hess
Also use DD partitioning in serial
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commitdiff
2021-09-14
Andrey Alekseenko
Merge remote-tracking branch 'origin/release-2021'...
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commitdiff
2021-08-19
Szilárd Páll
Add separate PME rank SimluationWorkload flags
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commitdiff
2021-08-19
Andrey Alekseenko
Merge remote-tracking branch 'origin/release-2021'...
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commitdiff
2021-08-18
Szilárd Páll
Add PP decomposition simluationWorkload flags
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commitdiff
2021-08-17
Andrey Alekseenko
Random cosmetic fixes
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commitdiff
2021-06-29
Paul Bauer
Merge branch release-2021 into master
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commitdiff
2021-06-04
Szilárd Páll
Move useMts flag from forcerec to simulationWorkload
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commitdiff
2021-06-02
Andrey Alekseenko
SYCL: Update env. vars to select GPUs
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commitdiff
2021-05-27
Artem Zhmurov
Rename GpuBonded into ListedForcesGpu
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commitdiff
2021-05-20
Alan Gray
Remove GPU update restriction for replica exchange
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commitdiff
2021-05-19
Andrey Alekseenko
Support GPU update without constraints
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commitdiff
2021-05-15
Paul Bauer
Use InheritParentConfig: true in clang-tidy files
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commitdiff
2021-05-07
Paul Bauer
Merge branch release-2021 into merge-2021-into-master
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commitdiff
2021-05-03
Szilárd Páll
Allow using CPU PME with DD and GPU update
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commitdiff
2021-04-20
Joe Jordan
Use enum class for gmx_omp_nthreads
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commitdiff
2021-04-13
Gaurav Garg
Remove thread-MPI limitation for GPU PP Halo exchange
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commitdiff
2021-03-23
Szilárd Páll
Fix deviceIdsAssigned() to return a unique list of IDs
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commitdiff
2021-03-19
Paul Bauer
Bulk change to const ref for mtop
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commitdiff
2021-03-11
Andrey Alekseenko
Disable GPU update in the presence of frozen atoms
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commitdiff
2021-03-10
Artem Zhmurov
Rename some variables in GPU task assignment and fix...
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commitdiff
2021-03-10
Andrey Alekseenko
Disable GPU update in the presence of frozen atoms
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commitdiff
2021-03-05
Paul Bauer
Merge branch release-2020 into merge-2020-into-2021
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commitdiff
2021-03-02
Paul Bauer
Modernize atom enums
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commitdiff
2021-02-22
Paul Bauer
Refactor md_enums
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commitdiff
2021-02-12
Mark Abraham
Merge branch release-2021 into master
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commitdiff
2021-02-09
Pascal Merz
Make temperature and pressure coupling enums enum classes
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commitdiff
2021-01-29
Mark Abraham
Merge branch release-2021
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commitdiff
2021-01-21
Andrey Alekseenko
Keep the number of tMPI ranks consistent with the numbe...
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commitdiff
2021-01-07
Paul Bauer
Merge branch release-2020 into merge-2020-into-2021
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commitdiff
2020-12-18
Mark Abraham
Merge branch release-2021
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commitdiff
2020-12-16
M. Eric Irrgang
Apply re-formatting to C++ in src/ tree.
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commitdiff
2020-11-24
Paul Bauer
Merge branch 'origin/release-2021' into merge-2021...
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commitdiff
2020-11-24
Paul Bauer
Merge branch 'origin/release-2020' into merge-2020...
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commitdiff
2020-11-23
Magnus Lundborg
Properly check if there are perturbed constraints or...
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commitdiff
2020-11-20
M. Eric Irrgang
Create CMake targets for each of the modules.
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commitdiff
2020-11-06
Andrey Alekseenko
Suggest environment variable to limit visible SYCL...
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commitdiff
2020-11-05
Paul Bauer
Merge branch 'origin/release-2021' into merge-2021...
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commitdiff
2020-11-04
Alan Gray
Allow GPU update without GPU DD
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commitdiff
2020-11-03
Artem Zhmurov
Make the message why GPU bondeds are not available...
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commitdiff
2020-10-20
Paul Bauer
Merge branch 'origin/release-2020' into merge-release...
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commitdiff
2020-10-13
Joe Jordan
Fix segfault in pull reading
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commitdiff
2020-10-08
Andrey Alekseenko
Activate SYCL build on CI
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commitdiff
2020-10-07
Paul Bauer
Merge branch 'origin/release-2020' into merge-release...
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commitdiff
2020-10-06
Artem Zhmurov
Simplify GPU usage decision function signatures
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commitdiff
2020-10-02
Mark Abraham
Cleaned up CUDA compilation
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commitdiff
2020-10-02
Alan Gray
Use workload data structures for GPU halo exchange...
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commitdiff
2020-09-30
Berk Hess
Move computeSlowForces into stepWork
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commitdiff
2020-09-28
Giovanni Bussi
Fixed incorrect enum
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commitdiff
2020-09-22
Andrey Alekseenko
Draft: Fix compilation
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commitdiff
2020-09-17
Berk Hess
Move bNonbonded flag from t_forcerec to SimulationWorkload
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commitdiff
2020-09-15
Alan Gray
Pass devFlags into createSimulationWorkload replacing...
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commitdiff
2020-09-11
Artem Zhmurov
Define stubs for GPU data structures in SYCL to make...
tree
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commitdiff
2020-09-07
Artem Zhmurov
Access the device status directly, remove the getter
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commitdiff
2020-08-31
Paul Bauer
Merge branch 'release-2020' into master
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commitdiff
2020-08-24
Artem Zhmurov
Move GPU devices management into hardware subfolder
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commitdiff
2020-08-04
Erik Lindahl
Simplified uniform GPU selection in CMake
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commitdiff
2020-07-20
Magnus Lundborg
Two sets of coefficients for Coulomb FEP PME on GPU
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commitdiff
2020-07-15
Mark Abraham
Divide default communicator from DD communicators
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commitdiff
2020-06-16
Artem Zhmurov
Add missing end-of-line in the GPU update assignment...
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commitdiff
2020-05-06
Paul Bauer
Merge branch 'origin/release-2020' into master
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commitdiff
2020-04-27
Mark Abraham
Improved some logic in do_force
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commitdiff
2020-04-08
Mark Abraham
Fixes for clang-tidy-9
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commitdiff
2020-04-08
Kevin Boyd
Fix line overrun in log file
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commitdiff
2020-03-13
Artem Zhmurov
Combine initialization routines for GPUs assigned to...
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commitdiff
2020-03-06
Mark Abraham
Simplify compiling GPU code for tests
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commitdiff
2020-03-04
Paul Bauer
Merge "Merge branch release-2020 into master"
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commitdiff
2020-03-04
Paul Bauer
Merge branch release-2020 into master
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commitdiff
2020-03-02
Artem Zhmurov
Update the message on whether update and constraints...
tree
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commitdiff
2020-02-28
Paul Bauer
Merge branch release-2019 into release-2020
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commitdiff
2020-02-25
Szilárd Páll
Improve GPU update tasks assignment consistency
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commitdiff
2020-02-17
Szilárd Páll
Add simulation workload flag for dipole computation
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commitdiff
2020-02-11
Szilárd Páll
Fix incorrect GPU update task assignment fallback
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commitdiff
2020-02-06
Artem Zhmurov
Move DeviceInfo into GPU traits
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commitdiff
2020-02-03
Artem Zhmurov
Enable GPU update for supported cases of FEP
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commitdiff
2020-02-01
Artem Zhmurov
Merge "Merge branch origin/release-2020 into master"
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commitdiff
2020-01-29
Artem Zhmurov
Rename UpdateConstraintsCuda to UpdateConstraintsGpu
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commitdiff
2020-01-28
Paul Bauer
Merge branch origin/release-2020 into master
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commitdiff
2020-01-23
Gaurav Garg
Fix PME checks in GPU update assignment decision
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commitdiff
2020-01-17
Berk Hess
Add check for shells and GPU update
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commitdiff
2020-01-16
Szilárd Páll
Fix PME run mode without PME
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commitdiff
2020-01-16
Paul Bauer
Fix nightly build failure on Gitlab
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commitdiff
2020-01-15
Berk Hess
Fix multisim with parallel simulation
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commitdiff
2020-01-13
Artem Zhmurov
Report if update is running on the GPU or on the CPU
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commitdiff
2020-01-09
Mark Abraham
Split lines with many copyright years
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commitdiff
2020-01-08
Roland Schulz
Merge release-2019 into release-2020
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commitdiff
2020-01-07
Paul Bauer
Merge branch origin/release-2020 into master
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commitdiff
2020-01-07
Paul Bauer
Merge commit d30f2cb6 from release-2020 into master
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commitdiff
2019-12-31
Artem Zhmurov
Inform user why forcing GPU update is not possible
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commitdiff
2019-12-31
Artem Zhmurov
Fix gpuupdate matrix
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commitdiff
2019-12-28
Artem Zhmurov
Change the behavior of the GPU update UI
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commitdiff
2019-12-28
Mark Abraham
Merge "Merge origin/release-2019 into release-2020...
tree
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commitdiff
2019-12-27
Artem Zhmurov
Add a note to the log file when -update gpu was set...
tree
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commitdiff
2019-12-27
Paul Bauer
Merge origin/release-2019 into release-2020
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commitdiff
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