BioD PNPI Git Repos - alexxy/gromacs.git/search

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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
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
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