biod.pnpi.spb.ru
/
alexxy
/
gromacs.git
/ search
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
|
commitdiff
|
tree
first ⋅ prev ⋅
next
Enable kernel compiler cache for SYCL DPC++
2021-10-18
Andrey Alekseenko
Enable kernel compiler cache for SYCL DPC++
commit
|
commitdiff
|
tree
2021-10-18
Andrey Alekseenko
Fix UB when generating local indices for constraints
commit
|
commitdiff
|
tree
2021-10-15
Andrey Alekseenko
Resolve "SYCL + DPCPP cmake config fails in gmxManageFFTLibr...
commit
|
commitdiff
|
tree
2021-10-14
Andrey Alekseenko
Improve stability of ContinuationIsExact tests
commit
|
commitdiff
|
tree
2021-10-13
Andrey Alekseenko
Fix fft/CMakeLists when compiling with hipSYCL
commit
|
commitdiff
|
tree
2021-10-13
Andrey Alekseenko
Fix clang-tidy complaints
commit
|
commitdiff
|
tree
2021-10-12
Andrey Alekseenko
Stop timers in GpuForceReduction with no atoms
commit
|
commitdiff
|
tree
2021-10-11
Andrey Alekseenko
Reduce noise in CI logs from the "for" loop
commit
|
commitdiff
|
tree
2021-10-09
Andrey Alekseenko
SYCL: Reduce local memory usage of LINCS kernel
commit
|
commitdiff
|
tree
2021-10-06
Andrey Alekseenko
Fix misc-misplaced-const and unused-parameter warnings
commit
|
commitdiff
|
tree
2021-10-06
Andrey Alekseenko
Fix SYCL LINCS kernel
commit
|
commitdiff
|
tree
2021-10-06
Andrey Alekseenko
SYCL: Add missing barrier to NBNXM energy reduction
commit
|
commitdiff
|
tree
2021-10-01
Andrey Alekseenko
SYCL: 3D FFT using oneMKL
commit
|
commitdiff
|
tree
2021-09-30
Andrey Alekseenko
Fix clang format and suppres clang lint warning
commit
|
commitdiff
|
tree
2021-09-25
Andrey Alekseenko
SYCL PME Gather kernel
commit
|
commitdiff
|
tree
2021-09-21
Andrey Alekseenko
SYCL PME Spread kernel
commit
|
commitdiff
|
tree
2021-09-21
Andrey Alekseenko
Fix compilation with oneAPI 2021.2 and earlier
commit
|
commitdiff
|
tree
2021-09-21
Andrey Alekseenko
Fix rare UB / assertion failure in MdlibUnitTest
commit
|
commitdiff
|
tree
2021-09-17
Andrey Alekseenko
SYCL: prepareGpuKernelArgument/launchGpuKernel
commit
|
commitdiff
|
tree
2021-09-17
Andrey Alekseenko
Fix Clang warnings for built-in XDR libraries
commit
|
commitdiff
|
tree
2021-09-16
Andrey Alekseenko
Minor fixes to comments and Doxygen
commit
|
commitdiff
|
tree
2021-09-16
Andrey Alekseenko
Add SYCL compiler and MKL versions
commit
|
commitdiff
|
tree
2021-09-15
Andrey Alekseenko
Fix clang warnings
commit
|
commitdiff
|
tree
2021-09-14
Andrey Alekseenko
Merge remote-tracking branch 'origin/release-2021'...
commit
|
commitdiff
|
tree
2021-09-14
Andrey Alekseenko
Add advanced event consumption accounting to GpuEventSynchro...
commit
|
commitdiff
|
tree
2021-09-10
Andrey Alekseenko
Fix misc-misplaced-const clang-tidy warning
commit
|
commitdiff
|
tree
2021-09-09
Andrey Alekseenko
Minor improvements to SYCL utils and related clean-up
commit
|
commitdiff
|
tree
2021-09-09
Andrey Alekseenko
Fix typo in selectSpreadKernelPtr causing wrong kernel...
commit
|
commitdiff
|
tree
2021-09-09
Andrey Alekseenko
Enable GPU PME unit tests
commit
|
commitdiff
|
tree
2021-08-28
Andrey Alekseenko
Get rid of sycl::buffer::reinterpret
commit
|
commitdiff
|
tree
2021-08-28
Andrey Alekseenko
SYCL: Fully switch to atomic_ref
commit
|
commitdiff
|
tree
2021-08-26
Andrey Alekseenko
Add missing Doxygen for SYCL functions and some others
commit
|
commitdiff
|
tree
2021-08-19
Andrey Alekseenko
Revert "Add workaround for CorrelationsTest with Intel...
commit
|
commitdiff
|
tree
2021-08-19
Andrey Alekseenko
Merge remote-tracking branch 'origin/release-2021'...
commit
|
commitdiff
|
tree
2021-08-18
Andrey Alekseenko
Fix compiler warnings introduced in 8f6ea9eb6c (!1865)
commit
|
commitdiff
|
tree
2021-08-18
Andrey Alekseenko
GpuEventSynchronizer: extract backend-specific functionality
commit
|
commitdiff
|
tree
2021-08-17
Andrey Alekseenko
Add workaround for CorrelationsTest with Intel ICPX
commit
|
commitdiff
|
tree
2021-08-17
Andrey Alekseenko
Add basic tests for GpuEventSynchronizer
commit
|
commitdiff
|
tree
2021-08-17
Andrey Alekseenko
Make ExpfitTest.EffnERREST well defined
commit
|
commitdiff
|
tree
2021-08-17
Andrey Alekseenko
Random cosmetic fixes
commit
|
commitdiff
|
tree
2021-08-16
Andrey Alekseenko
Update regular CI images to OneAPI 2021.3.0
commit
|
commitdiff
|
tree
2021-08-13
Andrey Alekseenko
Remove duplicate waiting for coordinates
commit
|
commitdiff
|
tree
2021-08-11
Andrey Alekseenko
Fix few issues with open-source Intel LLVM (Clang 13)
commit
|
commitdiff
|
tree
2021-08-11
Andrey Alekseenko
Add hipSYCL sanity check
commit
|
commitdiff
|
tree
2021-08-09
Andrey Alekseenko
Only enable GPU FFT test for build supporting it
commit
|
commitdiff
|
tree
2021-08-04
Andrey Alekseenko
Remove leftover licenses for optional and string_view
commit
|
commitdiff
|
tree
2021-08-03
Andrey Alekseenko
Remove StatePropagatorDataGpu::getVelocitiesReadyOnDeviceEvent
commit
|
commitdiff
|
tree
2021-07-26
Andrey Alekseenko
Remove duplicate waiting for coordinates
commit
|
commitdiff
|
tree
2021-07-09
Andrey Alekseenko
Fix Doxygen issues introduced in 997d9e02 (MR !1783)
commit
|
commitdiff
|
tree
2021-07-02
Andrey Alekseenko
Avoid passing a temporary object to emplace_back
commit
|
commitdiff
|
tree
2021-06-30
Andrey Alekseenko
Fix GCC warning
commit
|
commitdiff
|
tree
2021-06-29
Andrey Alekseenko
Revert "Enable back floating-point exceptions for SYCL...
commit
|
commitdiff
|
tree
2021-06-24
Andrey Alekseenko
SYCL NBNXM: Use hand-crafted energy reduction
commit
|
commitdiff
|
tree
2021-06-23
Andrey Alekseenko
Enable back floating-point exceptions for SYCL build
commit
|
commitdiff
|
tree
2021-06-18
Andrey Alekseenko
Minor docs fixes
commit
|
commitdiff
|
tree
2021-06-18
Andrey Alekseenko
Update device detection code for hipSYCL
commit
|
commitdiff
|
tree
2021-06-17
Andrey Alekseenko
Fix clang-format in src/gromacs/fft/fft_mkl.cpp
commit
|
commitdiff
|
tree
2021-06-17
Andrey Alekseenko
SYCL: Reduce the number of atomic ops in NBNXM fShift...
commit
|
commitdiff
|
tree
2021-06-17
Andrey Alekseenko
Improve hipSYCL GpuEventSynchronizer implementation
commit
|
commitdiff
|
tree
2021-06-11
Andrey Alekseenko
SYCL: Shorten mangled kernel name types
commit
|
commitdiff
|
tree
2021-06-09
Andrey Alekseenko
Remove some unused-but-set variables
commit
|
commitdiff
|
tree
2021-06-09
Andrey Alekseenko
Bump hipSYCL version in the CI container
commit
|
commitdiff
|
tree
2021-06-08
Andrey Alekseenko
Fix clang-tidy complaints
commit
|
commitdiff
|
tree
2021-06-07
Andrey Alekseenko
Add SYCL-related information to the mdrun version header
commit
|
commitdiff
|
tree
2021-06-02
Andrey Alekseenko
SYCL: Update env. vars to select GPUs
commit
|
commitdiff
|
tree
2021-06-01
Andrey Alekseenko
Mark a variable as unused in non-MPI build
commit
|
commitdiff
|
tree
2021-05-31
Andrey Alekseenko
Fix one more missing template declaration
commit
|
commitdiff
|
tree
2021-05-31
Andrey Alekseenko
Add nightly CI test on OneAPI + Intel GPU
commit
|
commitdiff
|
tree
2021-05-30
Andrey Alekseenko
Disable false-positive warnings for ICPX 2021.2.0
commit
|
commitdiff
|
tree
2021-05-19
Andrey Alekseenko
Support GPU update without constraints
commit
|
commitdiff
|
tree
2021-05-19
Andrey Alekseenko
Remove accidental use of RDTSCP with GMX_USE_RDTSCP=off
commit
|
commitdiff
|
tree
2021-05-18
Andrey Alekseenko
Fix CMake 3.20 warnings when compiling with IntelLLVM
commit
|
commitdiff
|
tree
2021-05-18
Andrey Alekseenko
Remove unused StatisticsStatus values
commit
|
commitdiff
|
tree
2021-05-11
Andrey Alekseenko
Add SYCL implementation of X/V scale kernel
commit
|
commitdiff
|
tree
2021-05-11
Andrey Alekseenko
Add SYCL implementation of GPU F buffer operations
commit
|
commitdiff
|
tree
2021-05-10
Andrey Alekseenko
Add SYCL implementation of GPU X buffer operations
commit
|
commitdiff
|
tree
2021-05-10
Andrey Alekseenko
Make GPU X buffer ops platform-agnostic
commit
|
commitdiff
|
tree
2021-05-10
Andrey Alekseenko
Fix shift_left/right function on hipSYCL
commit
|
commitdiff
|
tree
2021-05-10
Andrey Alekseenko
SYCL: Allow copying an uninitialized DeviceBuffer object
commit
|
commitdiff
|
tree
2021-05-05
Andrey Alekseenko
Make common GPU Force Reduction code backend-agnostic
commit
|
commitdiff
|
tree
2021-05-04
Andrey Alekseenko
Fix GCC-11 warning
commit
|
commitdiff
|
tree
2021-04-23
Andrey Alekseenko
Fix beningn GCC 10.2 Wstringop-truncation warnings
commit
|
commitdiff
|
tree
2021-04-22
Andrey Alekseenko
Fix buffer overrun when invalid value passed to numPbcDimensions
commit
|
commitdiff
|
tree
2021-04-15
Andrey Alekseenko
Ensure coordinates are copied for dipole moment calculation
commit
|
commitdiff
|
tree
2021-04-14
Andrey Alekseenko
Use host buffer instead of host accessors in SYCL LeapFrog
commit
|
commitdiff
|
tree
2021-04-14
Andrey Alekseenko
Fix misc-misplaced-const clang-tidy warning
commit
|
commitdiff
|
tree
2021-04-14
Andrey Alekseenko
Add GMX_GPU_SYCL_NO_SYNCHRONIZE environment variable
commit
|
commitdiff
|
tree
2021-04-11
Andrey Alekseenko
Add GpuEventSynchronizer::isMarked to SYCL verion
commit
|
commitdiff
|
tree
2021-04-11
Andrey Alekseenko
Move ScalingMatrix to common GPU update code.
commit
|
commitdiff
|
tree
2021-04-02
Andrey Alekseenko
Ensure coordinates are copied for dipole moment calculation
commit
|
commitdiff
|
tree
2021-03-30
Andrey Alekseenko
Allow the use of only one backend at a time with SYCL...
commit
|
commitdiff
|
tree
2021-03-29
Andrey Alekseenko
Fix webpage build
commit
|
commitdiff
|
tree
2021-03-27
Andrey Alekseenko
Avoid enqueueing the same event multiple times in nbnxn_atom...
commit
|
commitdiff
|
tree
2021-03-24
Andrey Alekseenko
Unify nbnxn_gpu_init_x_to_nbat_x
commit
|
commitdiff
|
tree
2021-03-24
Andrey Alekseenko
Add missing GMX_ASSERT(haveCopiedXFromGpu)
commit
|
commitdiff
|
tree
2021-03-22
Andrey Alekseenko
Fix compiler and linter warnings
commit
|
commitdiff
|
tree
2021-03-22
Andrey Alekseenko
Remove incorrect assertion for GPU timing in SYCL
commit
|
commitdiff
|
tree
2021-03-19
Andrey Alekseenko
Store buffer without offset in GpuForceReduction::Impl...
commit
|
commitdiff
|
tree
2021-03-19
Andrey Alekseenko
Use DeviceBuffer<RVec> in GPU force reduction and PME...
commit
|
commitdiff
|
tree
2021-03-19
Andrey Alekseenko
Enable compiling LeapFrog with hipSYCL
commit
|
commitdiff
|
tree
next