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SYCL: Use acc.bind(cgh) instead of cgh.require(acc)
[alexxy/gromacs.git]
/
src
/
gromacs
/
ewald
/
2021-11-03
Andrey Alekseenko
SYCL: Use acc.bind(cgh) instead of cgh.require(acc)
tree
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commitdiff
2021-10-27
Szilárd Páll
Unify coordinate copy handling across GPU platforms
tree
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commitdiff
2021-10-22
Mark Abraham
Fix cuda clang-tidy issues
tree
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commitdiff
2021-10-21
Mark Abraham
Refactor PME tests for better usability
tree
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commitdiff
2021-10-19
Andrey Alekseenko
Fix SYCL PME Solve kernel
tree
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commitdiff
2021-10-19
Mark Abraham
Another clang-tidy fix for new GPU code
tree
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commitdiff
2021-10-18
Andrey Alekseenko
Merge release-2021 into master
tree
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commitdiff
2021-10-18
Mark Abraham
Fix clang-tidy error in new GPU code
tree
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commitdiff
2021-10-18
Andrey Alekseenko
Disable PME Mixed mode with FEP
tree
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commitdiff
2021-10-14
Alan Gray
Pipeline GPU PME Spline/Spread with PP Comms
tree
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commitdiff
2021-10-13
Mark Abraham
Implement PME solve in SYCL
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commitdiff
2021-10-01
Andrey Alekseenko
SYCL: 3D FFT using oneMKL
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commitdiff
2021-09-30
Andrey Alekseenko
Fix clang format and suppres clang lint warning
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commitdiff
2021-09-30
Mark Abraham
Add hipSYCL support to GPU 3DFFT
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commitdiff
2021-09-29
Alan Gray
Avoid MPI sync for PME force sender GPU scheduling...
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commitdiff
2021-09-25
Berk Hess
Replace DOMAINDECOMP macro by a renamed function
tree
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commitdiff
2021-09-25
Andrey Alekseenko
SYCL PME Gather kernel
tree
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commitdiff
2021-09-24
Artem Zhmurov
Fix clang-tidy warnings in pme and sim_utils
tree
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commitdiff
2021-09-21
Andrey Alekseenko
SYCL PME Spread kernel
tree
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commitdiff
2021-09-16
Andrey Alekseenko
Minor fixes to comments and Doxygen
tree
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commitdiff
2021-09-14
Andrey Alekseenko
Merge remote-tracking branch 'origin/release-2021'...
tree
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commitdiff
2021-09-13
Magnus Lundborg
Calculate FEP (GPU) splines for all atoms.
tree
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commitdiff
2021-09-09
Andrey Alekseenko
Minor improvements to SYCL utils and related clean-up
tree
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commitdiff
2021-09-09
Andrey Alekseenko
Fix typo in selectSpreadKernelPtr causing wrong kernel...
tree
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commitdiff
2021-09-09
Andrey Alekseenko
Enable GPU PME unit tests
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commitdiff
2021-09-08
Gaurav Garg
Redesign GPU FFT abstraction
tree
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commitdiff
2021-08-19
Andrey Alekseenko
Merge remote-tracking branch 'origin/release-2021'...
tree
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commitdiff
2021-08-17
Andrey Alekseenko
Random cosmetic fixes
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commitdiff
2021-08-16
Artem Zhmurov
Add common header to GpuEventSynchronizer
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commitdiff
2021-08-15
Artem Zhmurov
Do not allow AtomLocality::All for coordinates and...
tree
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commitdiff
2021-08-03
Mark Abraham
Update bundled GoogleTest to current HEAD
tree
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commitdiff
2021-08-02
Mark Abraham
Fix style violations
tree
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commitdiff
2021-08-01
Alan Gray
Remove MPI comm from GPU PME-PP force transfer initiation
tree
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commitdiff
2021-06-29
Mark Abraham
Move GPU 3D FFT code to fft module
tree
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commitdiff
2021-06-29
Paul Bauer
Merge branch release-2021 into master
tree
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commitdiff
2021-06-26
Mark Abraham
Decouple PME GPU 3DFFT from PME GPU module
tree
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commitdiff
2021-06-09
Andrey Alekseenko
Remove some unused-but-set variables
tree
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commitdiff
2021-06-08
Andrey Alekseenko
Fix clang-tidy complaints
tree
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commitdiff
2021-06-07
Alan Gray
Push GPU PME-PP force from PME task instead of pull...
tree
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commitdiff
2021-06-01
Andrey Alekseenko
Mark a variable as unused in non-MPI build
tree
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commitdiff
2021-05-31
ejjordan
Increase const correctness in gmx_pme_send_parameters
tree
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commitdiff
2021-05-24
Paul Bauer
Apply clang-tidy-11 fixes to CUDA files
tree
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commitdiff
2021-05-24
Joe Jordan
Remove dead members from gmx_pme_t
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commitdiff
2021-05-20
Joe Jordan
Localize variables in gmx_pme_do
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commitdiff
2021-05-20
Artem Zhmurov
Use MessageStringCollector class to construct error...
tree
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commitdiff
2021-05-20
ejjordan
Remove inputrec from do_ewald
tree
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commitdiff
2021-05-20
Joe Jordan
Localize variables in ewald_LRcorrection
tree
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commitdiff
2021-05-19
ejjordan
Remove forcerec and inputrec from ewald_LRcorrection
tree
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commitdiff
2021-05-19
ejjordan
Remove forcerec from ewald_charge_correction
tree
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commitdiff
2021-05-18
Roland Schulz
Fix build with clang-cuda
tree
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commitdiff
2021-05-15
Paul Bauer
Use InheritParentConfig: true in clang-tidy files
tree
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commitdiff
2021-05-11
Artem Zhmurov
Fix conditional in assertion
tree
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commitdiff
2021-05-11
Mark Abraham
Apply clang-format-11
tree
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commitdiff
2021-05-07
Paul Bauer
Merge branch release-2021 into merge-2021-into-master
tree
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commitdiff
2021-05-05
Paul Bauer
Apply misc clang-tidy-11 fixes
tree
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commitdiff
2021-05-03
Artem Zhmurov
Fix clang-format
tree
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commitdiff
2021-05-03
Joe Jordan
ArrayRef in pme
tree
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commitdiff
2021-04-23
Artem Zhmurov
Clang-11 fixes for PME and FFT
tree
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commitdiff
2021-04-22
Paul Bauer
Fixes from clang-tidy-11 for signal handling
tree
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commitdiff
2021-04-21
Joe Jordan
Rename some enum names in ModuleMultiThread
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commitdiff
2021-04-20
Joe Jordan
Use enum class for gmx_omp_nthreads
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commitdiff
2021-04-16
Gaurav Garg
Remove thread-MPI limitation for GPU direct PME-PP...
tree
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commitdiff
2021-04-14
Paul Bauer
Modernize wallcycle counting
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commitdiff
2021-03-23
ejjordan
Forward declare ArrayRef more and inlcude basedefinitio...
tree
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commitdiff
2021-03-22
ejjordan
Use ArrayRef in do_ewald
tree
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commitdiff
2021-03-22
Andrey Alekseenko
Fix compiler and linter warnings
tree
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commitdiff
2021-03-21
Szilárd Páll
Rename sendFToPpCudaDirect
tree
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commitdiff
2021-03-19
Artem Zhmurov
Unify init_gpu function in NBNXM
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commitdiff
2021-03-19
Andrey Alekseenko
Use DeviceBuffer<RVec> in GPU force reduction and PME...
tree
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commitdiff
2021-03-19
Joe Jordan
Use ArrayRef in ewald_LRcorrection
tree
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commitdiff
2021-03-19
ejjordan
Use ArrayRef in gmx_pme_send_parameters
tree
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commitdiff
2021-03-17
ejjordan
Use ArrayRef<const real> in gmx_pme_do
tree
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commitdiff
2021-03-15
Artem Zhmurov
Move pmalloc(..)/pfree(...) to separate source files...
tree
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commitdiff
2021-03-15
Paul Bauer
Move M_PI definition to math/units.h
tree
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commitdiff
2021-03-14
Szilárd Páll
Use existing PME f ready event in PmeForceSenderGpu
tree
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commitdiff
2021-03-13
Szilárd Páll
Rename launchReceiveCoordinatesFromPpCudaDirect
tree
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commitdiff
2021-03-12
Paul Bauer
Modernize PME GPU timing enums
tree
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commitdiff
2021-03-11
Szilárd Páll
Simplify gmx_pme_send_force_vir_ener()
tree
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commitdiff
2021-03-10
Andrey Alekseenko
Convert PmeGpu->kernelParams->atoms.d_forces to RVec
tree
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commitdiff
2021-03-10
Andrey Alekseenko
Revert "Wrap more device pointers in DeviceBuffer"...
tree
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commitdiff
2021-03-10
Andrey Alekseenko
Wrap more device pointers in DeviceBuffer
tree
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commitdiff
2021-03-09
Joe Jordan
Use constexpr for physical constants and move them...
tree
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commitdiff
2021-03-05
Paul Bauer
Merge branch release-2020 into merge-2020-into-2021
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commitdiff
2021-02-22
Joe Jordan
Hold unique_ptr to gmx_ewald_tab_t in forcerec
tree
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commitdiff
2021-02-22
Joe Jordan
Hold unique_ptr for interaction_const in forcerec
tree
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commitdiff
2021-02-22
Paul Bauer
Refactor md_enums
tree
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commitdiff
2021-02-18
Andrey Alekseenko
SYCL NBNXM offload support
tree
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commitdiff
2021-02-16
Andrey Alekseenko
Add support for Clang-CUDA 11.x and a post-merge CI...
tree
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commitdiff
2021-02-16
Joe Jordan
Use const ref to inputrec in do_force
tree
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commitdiff
2021-02-12
Andrey Alekseenko
Add gmx::isPowerOfTwo function
tree
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commitdiff
2021-02-12
Mark Abraham
Merge branch release-2021 into master
tree
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commitdiff
2021-02-03
Mark Abraham
Remove support for Intel classic compiler
tree
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commitdiff
2021-01-29
Mark Abraham
Remove PrivateImplPointer in favour of std::unique_ptr
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commitdiff
2021-01-29
Dmitry Morozov
Added functionality that allows MdModules to disable...
tree
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commitdiff
2021-01-29
Mark Abraham
Merge branch release-2021
tree
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commitdiff
2021-01-07
Paul Bauer
Merge branch release-2020 into merge-2020-into-2021
tree
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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.
tree
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commitdiff
2020-12-10
Berk Hess
A check for perturbed listed pairs beyond rlist
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commitdiff
2020-11-24
Paul Bauer
Merge branch 'origin/release-2021' into merge-2021...
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commitdiff
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