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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
2021-05-18	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
2021-03-19	Andrey Alekseenko	Fix a warning from CUDA 10.1	commit \| commitdiff \| tree
2021-03-17	Andrey Alekseenko	Use DeviceBuffer in GPU update and NBNXM code	commit \| commitdiff \| tree
2021-03-12	Andrey Alekseenko	Add DeviceAccessor<T,read> ctor from const DeviceBuffer<T>	commit \| commitdiff \| tree
2021-03-11	Andrey Alekseenko	Disable GPU update in the presence of frozen atoms	commit \| commitdiff \| tree
2021-03-11	Andrey Alekseenko	Properly check for frozen atoms when disabling GPU...	commit \| commitdiff \| tree
2021-03-10	Andrey Alekseenko	Convert PmeGpu->kernelParams->atoms.d_forces to RVec	commit \| commitdiff \| tree
2021-03-10	Andrey Alekseenko	Revert "Wrap more device pointers in DeviceBuffer"...	commit \| commitdiff \| tree
2021-03-10	Andrey Alekseenko	Disable GPU update in the presence of frozen atoms	commit \| commitdiff \| tree
2021-03-10	Andrey Alekseenko	Wrap more device pointers in DeviceBuffer	commit \| commitdiff \| tree
2021-03-08	Andrey Alekseenko	Use map to speed up PreprocessingAtomTypes::atomTypeFromName	commit \| commitdiff \| tree
2021-03-08	Andrey Alekseenko	Fix "wait before marking" synchronization bug	commit \| commitdiff \| tree
2021-03-07	Andrey Alekseenko	Fix clang-tidy complaint failing our CI lint test	commit \| commitdiff \| tree
2021-03-05	Andrey Alekseenko	Fix typo introduced during nbfp_comb refactoring	commit \| commitdiff \| tree
2021-03-02	Andrey Alekseenko	Set up build with hipSYCL	commit \| commitdiff \| tree
2021-02-22	Andrey Alekseenko	Rename our SYCL aliases floatN to FloatN	commit \| commitdiff \| tree
2021-02-19	Andrey Alekseenko	Correct docs and add safeguard for non-pulsed electric...	commit \| commitdiff \| tree
2021-02-19	Andrey Alekseenko	Replace sqrt with std::sqrt in mdatoms.cpp	commit \| commitdiff \| tree
2021-02-18	Andrey Alekseenko	Make the use of GpuEventSynchronizer in SYCL conformant...	commit \| commitdiff \| tree
2021-02-18	Andrey Alekseenko	SYCL NBNXM offload support	commit \| commitdiff \| tree
2021-02-18	Andrey Alekseenko	Fix clang-8-cuda-10.0 container	commit \| commitdiff \| tree
2021-02-17	Andrey Alekseenko	Add -DGMX_SYCL_HIPSYCL cmake option	commit \| commitdiff \| tree
2021-02-16	Andrey Alekseenko	Fix clang-tidy-11 errors in NBNXM module, part 5	commit \| commitdiff \| tree
2021-02-16	Andrey Alekseenko	Add support for Clang-CUDA 11.x and a post-merge CI...	commit \| commitdiff \| tree
2021-02-16	Andrey Alekseenko	Add container with LLVM 11, CUDA 11.2.1, hipSYCL	commit \| commitdiff \| tree
2021-02-15	Andrey Alekseenko	Rework SYCL CMake machinery to be compatible with hipSYCL	commit \| commitdiff \| tree
2021-02-12	Andrey Alekseenko	Add gmx::isPowerOfTwo function	commit \| commitdiff \| tree
2021-02-11	Andrey Alekseenko	Fix clang-tidy-11 errors in NBNXM module, part 3	commit \| commitdiff \| tree
2021-02-11	Andrey Alekseenko	Safer handling of empty cells in Grid::sortColumnsCpuGeometry	commit \| commitdiff \| tree
2021-02-10	Andrey Alekseenko	Fix clang-tidy-11 errors in NBNXM module, part 4	commit \| commitdiff \| tree
2021-02-10	Andrey Alekseenko	Fix clang-tidy-11 errors in NBNXM module, part 1	commit \| commitdiff \| tree
2021-02-09	Andrey Alekseenko	SYCL compilation and code compatibility changes	commit \| commitdiff \| tree
2021-02-09	Andrey Alekseenko	Fix SYCL clearDeviceBufferAsync<float3>	commit \| commitdiff \| tree
2021-02-09	Andrey Alekseenko	Fix clang-tidy-11 errors in NBNXM module, part 2	commit \| commitdiff \| tree
2021-02-09	Andrey Alekseenko	dispatchTemplatedFunction: dispatch by bool	commit \| commitdiff \| tree
2021-02-08	Andrey Alekseenko	Disable FPE for SYCL builds	commit \| commitdiff \| tree
2021-02-07	Andrey Alekseenko	Replace custom implementations of GCD with std::gcd	commit \| commitdiff \| tree
2021-02-03	Andrey Alekseenko	Initialize rollingPruningNumParts in init_plist	commit \| commitdiff \| tree
2021-02-02	Andrey Alekseenko	Remove deprecated env. vars GMX_OCL_NB_ANA_EWALD etc	commit \| commitdiff \| tree
2021-01-28	Andrey Alekseenko	Reintroduce CI job descriptions	commit \| commitdiff \| tree
2021-01-27	Andrey Alekseenko	SYCL: fix typo in a test and clean-up non-standard...	commit \| commitdiff \| tree
2021-01-25	Andrey Alekseenko	Update self-documentation in admin/git-pre-commit	commit \| commitdiff \| tree
2021-01-21	Andrey Alekseenko	Keep the number of tMPI ranks consistent with the number...	commit \| commitdiff \| tree
2021-01-09	Andrey Alekseenko	densityfit: Fix typo in use of iterators	commit \| commitdiff \| tree
2020-12-11	Andrey Alekseenko	Update instructions in containers.rst	commit \| commitdiff \| tree
2020-12-09	Andrey Alekseenko	Fix defining of EXCLUSION_FORCES in CUDA/OpenCL kernels	commit \| commitdiff \| tree
2020-11-11	Andrey Alekseenko	Make eelType and evdwType scoped enums, + cleanup	commit \| commitdiff \| tree
2020-11-10	Andrey Alekseenko	Fix "GMX_CUDA\|OCL_NB_EWALD_TWINCUT is disabling twin...	commit \| commitdiff \| tree
2020-11-09	Andrey Alekseenko	Add SYCL implementation of LeapFrogGpu	commit \| commitdiff \| tree
2020-11-09	Andrey Alekseenko	Fix intemittent MdrunIOTests segfault	commit \| commitdiff \| tree
2020-11-06	Andrey Alekseenko	Suggest environment variable to limit visible SYCL...	commit \| commitdiff \| tree
2020-11-05	Andrey Alekseenko	Slightly refactor AmdZen1 detection code	commit \| commitdiff \| tree
2020-11-02	Andrey Alekseenko	Rework handling of PATH-like variables in GMXRC.bash/zsh	commit \| commitdiff \| tree
2020-10-30	Andrey Alekseenko	Rework handling of PATH-like variables in GMXRC.bash/zsh	commit \| commitdiff \| tree
2020-10-29	Andrey Alekseenko	Narrow-down Intel-specific #ifdef's	commit \| commitdiff \| tree
2020-10-28	Andrey Alekseenko	Make dispatchTemplatedFunction compatible with MSVC	commit \| commitdiff \| tree
2020-10-28	Andrey Alekseenko	Add dispatchTemplatedFunction	commit \| commitdiff \| tree
2020-10-22	Andrey Alekseenko	TrajectoryElement: initialize and rename logWritingStep_	commit \| commitdiff \| tree
2020-10-21	Andrey Alekseenko	Revert "densityfit: Fix inconsistent use of iterators"	commit \| commitdiff \| tree
2020-10-21	Andrey Alekseenko	densityfit: Fix inconsistent use of iterators	commit \| commitdiff \| tree
2020-10-19	Andrey Alekseenko	Fix random doxygen warnings and typos	commit \| commitdiff \| tree
2020-10-15	Andrey Alekseenko	Increase tolerances for NBlibTest.SpcMethanolForcesAreCorrec...	commit \| commitdiff \| tree
2020-10-14	Andrey Alekseenko	Add static constexpr members to naming style guide	commit \| commitdiff \| tree
2020-10-14	Andrey Alekseenko	Revert "CUDA nightly fail: Dirty hack"	commit \| commitdiff \| tree
2020-10-09	Andrey Alekseenko	api/nblib/tests/integrator.cpp: Minor changes	commit \| commitdiff \| tree
2020-10-09	Andrey Alekseenko	Try to fix the nightly clang-tidy-9 build	commit \| commitdiff \| tree
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