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2021-06-09	Artem Zhmurov	Compute reference indices in GPU LINCS upon data preparation	commit \| commitdiff \| tree
2021-06-07	Artem Zhmurov	Remove duplicating pointers to device buffers in GPU...	commit \| commitdiff \| tree
2021-06-07	Artem Zhmurov	Fix clang-format	commit \| commitdiff \| tree
2021-06-03	Artem Zhmurov	Make constraints and SETTLE tests backend-agnostic	commit \| commitdiff \| tree
2021-05-27	Artem Zhmurov	Add release notes about REMD with GPU update	commit \| commitdiff \| tree
2021-05-27	Artem Zhmurov	Rename GpuBonded into ListedForcesGpu	commit \| commitdiff \| tree
2021-05-20	Artem Zhmurov	Use MessageStringCollector class to construct error...	commit \| commitdiff \| tree
2021-05-19	Artem Zhmurov	Fix clang-format	commit \| commitdiff \| tree
2021-05-19	Artem Zhmurov	Make common Leap-Frog device code backend-agnostic	commit \| commitdiff \| tree
2021-05-17	Artem Zhmurov	Move the stub for X buffer ops into OpenCL	commit \| commitdiff \| tree
2021-05-17	Artem Zhmurov	Make NBNXM force getter available in all backends	commit \| commitdiff \| tree
2021-05-14	Artem Zhmurov	Use appendIf(..) method of MessageStringCollector where...	commit \| commitdiff \| tree
2021-05-14	Artem Zhmurov	Remove extra device force getter from NBNXM	commit \| commitdiff \| tree
2021-05-13	Artem Zhmurov	Add appendIf(..) method and tests for MessageStringCollector	commit \| commitdiff \| tree
2021-05-11	Artem Zhmurov	Make common Update-Constraints code backend-agnostic	commit \| commitdiff \| tree
2021-05-11	Artem Zhmurov	Name the MDRun FEP test binary consistently	commit \| commitdiff \| tree
2021-05-11	Artem Zhmurov	Fix clang-format	commit \| commitdiff \| tree
2021-05-11	Artem Zhmurov	Fix conditional in assertion	commit \| commitdiff \| tree
2021-05-11	Artem Zhmurov	Fix compiler warning and use static_assert	commit \| commitdiff \| tree
2021-05-03	Artem Zhmurov	Fix copyright year	commit \| commitdiff \| tree
2021-05-03	Artem Zhmurov	Fix clang-format	commit \| commitdiff \| tree
2021-04-26	Artem Zhmurov	Clang-11 fixes for applied forces	commit \| commitdiff \| tree
2021-04-23	Artem Zhmurov	Make SETTLE setup code platform-agnostic	commit \| commitdiff \| tree
2021-04-23	Artem Zhmurov	Apply clang-11 fixes for fileio	commit \| commitdiff \| tree
2021-04-23	Artem Zhmurov	Clang-11 fixes for PME and FFT	commit \| commitdiff \| tree
2021-04-22	Artem Zhmurov	Make LINCS setup code platform-agnostic	commit \| commitdiff \| tree
2021-04-19	Artem Zhmurov	Make .rtp/.tdb bond types into enum class	commit \| commitdiff \| tree
2021-04-19	Artem Zhmurov	Make Compartment, Channel, ChannelHistory and Domaint...	commit \| commitdiff \| tree
2021-04-19	Artem Zhmurov	Make XDR type into enum class	commit \| commitdiff \| tree
2021-04-12	Artem Zhmurov	Add a note on early return in device buffer operations	commit \| commitdiff \| tree
2021-04-12	Artem Zhmurov	Clean some headers in NBNXM GPU	commit \| commitdiff \| tree
2021-04-11	Artem Zhmurov	Add early returns in clearDeviceBuffer(...) in OpenCL...	commit \| commitdiff \| tree
2021-04-03	Artem Zhmurov	Rename NBAtomData into NBAtomDataGpu	commit \| commitdiff \| tree
2021-03-31	Artem Zhmurov	Unify gpu_free(...) function in OpenCL, CUDA and SYCL...	commit \| commitdiff \| tree
2021-03-31	Artem Zhmurov	Fix conditional on when DtoH forces copy occur	commit \| commitdiff \| tree
2021-03-30	Artem Zhmurov	Use default constructor for the device buffers that...	commit \| commitdiff \| tree
2021-03-25	Artem Zhmurov	Unify gpu_upload_shiftvec(...) function in NBNXM	commit \| commitdiff \| tree
2021-03-21	Artem Zhmurov	Move the atomToInteractionLocality(...) into locality.h	commit \| commitdiff \| tree
2021-03-19	Artem Zhmurov	Unify init_gpu function in NBNXM	commit \| commitdiff \| tree
2021-03-16	Artem Zhmurov	Unify gpu_init_atomdata(...) function	commit \| commitdiff \| tree
2021-03-16	Artem Zhmurov	Unify gpu_launch_cpyback(...) function in NBNXM	commit \| commitdiff \| tree
2021-03-16	Artem Zhmurov	Unify gpu_init_atomdata(...) function	commit \| commitdiff \| tree
2021-03-15	Artem Zhmurov	Move pmalloc(..)/pfree(...) to separate source files...	commit \| commitdiff \| tree
2021-03-15	Artem Zhmurov	Do not overallocate shiftVec and fshifts buffers in...	commit \| commitdiff \| tree
2021-03-15	Artem Zhmurov	Add a cool quote from Elvis Presley's song	commit \| commitdiff \| tree
2021-03-15	Artem Zhmurov	Fix clang-format in topio.cpp	commit \| commitdiff \| tree
2021-03-11	Artem Zhmurov	Unify insertNonLocalDependency(...) function in NBNXM	commit \| commitdiff \| tree
2021-03-11	Artem Zhmurov	Fix clang-tidy failures in AWH tests	commit \| commitdiff \| tree
2021-03-10	Artem Zhmurov	Rename some variables in GPU task assignment and fix...	commit \| commitdiff \| tree
2021-03-10	Artem Zhmurov	Rework atom locality validity checks	commit \| commitdiff \| tree
2021-03-09	Artem Zhmurov	Unify gpu_copy_xq_to_gpu(...) function	commit \| commitdiff \| tree
2021-02-26	Artem Zhmurov	Add device-to-device copy function wrapper with tests...	commit \| commitdiff \| tree
2021-02-24	Artem Zhmurov	Add tests on asynchronous host-to-device copy and back	commit \| commitdiff \| tree
2021-02-24	Artem Zhmurov	Use GpuTimers in CUDA and OpenCL versions of NBNXM...	commit \| commitdiff \| tree
2021-02-23	Artem Zhmurov	Fix doxygen in domdec	commit \| commitdiff \| tree
2021-02-23	Artem Zhmurov	Use getAtomRanges(...) function in NBNXM more	commit \| commitdiff \| tree
2021-02-22	Artem Zhmurov	Unify NB atoms and staging data structures in OpenCL...	commit \| commitdiff \| tree
2021-02-22	Artem Zhmurov	Add FloatN aliases to OpenCL and use them in NBNXM	commit \| commitdiff \| tree
2021-02-22	Artem Zhmurov	Add FloatN aliases to CUDA and use them in NBNXM	commit \| commitdiff \| tree
2021-02-20	Artem Zhmurov	Set temperature scaling groups upon construction of...	commit \| commitdiff \| tree
2021-02-19	Artem Zhmurov	Unify and clarify a couple of macro definitions in...	commit \| commitdiff \| tree
2021-02-17	Artem Zhmurov	Use GpuEventSynchronizer in NBNXM	commit \| commitdiff \| tree
2021-02-11	Artem Zhmurov	Fix MPI build	commit \| commitdiff \| tree
2021-02-09	Artem Zhmurov	Name streams after locality	commit \| commitdiff \| tree
2021-02-09	Artem Zhmurov	Fix clang-format	commit \| commitdiff \| tree
2021-02-08	Artem Zhmurov	Parametrize constraints test over the test systems	commit \| commitdiff \| tree
2021-02-04	Artem Zhmurov	Make LJ combination rule enum into an enum class	commit \| commitdiff \| tree
2021-02-02	Artem Zhmurov	Use make_unique instead of reset when private implementation...	commit \| commitdiff \| tree
2021-01-29	Artem Zhmurov	Rmove dependency on Constraints object from compute_globals...	commit \| commitdiff \| tree
2020-11-24	Artem Zhmurov	Improve handling of CUDA API errors	commit \| commitdiff \| tree
2020-11-23	Artem Zhmurov	Make corresponding device active before each TestDevice...	commit \| commitdiff \| tree
2020-11-23	Artem Zhmurov	Separate VV first and second steps from MD loop	commit \| commitdiff \| tree
2020-11-23	Artem Zhmurov	Remove coolquote that sounds offensive without context	commit \| commitdiff \| tree
2020-11-17	Artem Zhmurov	Use lambdas to get the list of PBC names from the map...	commit \| commitdiff \| tree
2020-11-09	Artem Zhmurov	Remove source file that is no longer in use	commit \| commitdiff \| tree
2020-11-06	Artem Zhmurov	Fix doxygen comments formattig in update.h	commit \| commitdiff \| tree
2020-11-03	Artem Zhmurov	Make the message why GPU bondeds are not available...	commit \| commitdiff \| tree
2020-10-27	Artem Zhmurov	Remove unused velocity scaling enum value	commit \| commitdiff \| tree
2020-10-26	Artem Zhmurov	Clear constraints RMSD values upon domains reset	commit \| commitdiff \| tree
2020-10-22	Artem Zhmurov	Use and properly initialize PRNG when hardware random...	commit \| commitdiff \| tree
2020-10-22	Artem Zhmurov	Introduce intermediate variable so that compiler will...	commit \| commitdiff \| tree
2020-10-22	Artem Zhmurov	Fix formatting of the authors list	commit \| commitdiff \| tree
2020-10-12	Artem Zhmurov	Fix the seeding of PRNG when it is used instead of RG	commit \| commitdiff \| tree
2020-10-09	Artem Zhmurov	Cool quote picking can freeze when hardware random...	commit \| commitdiff \| tree
2020-10-08	Artem Zhmurov	Add Andrey Alekseenko to the list of authors	commit \| commitdiff \| tree
2020-10-06	Artem Zhmurov	Remove unused canComputeOnGpu(...) function from device...	commit \| commitdiff \| tree
2020-10-06	Artem Zhmurov	Simplify GPU usage decision function signatures	commit \| commitdiff \| tree
2020-10-06	Artem Zhmurov	Use new GPU infrastructure in MDLib tests	commit \| commitdiff \| tree
2020-10-01	Artem Zhmurov	Add missing include into the tests comparison helper	commit \| commitdiff \| tree
2020-09-30	Artem Zhmurov	Restore destructor for GpuTest and gmx_hw_info_t	commit \| commitdiff \| tree
2020-09-29	Artem Zhmurov	Don't use fah_fsync	commit \| commitdiff \| tree
2020-09-29	Artem Zhmurov	Remove two-stage initialization in DeviceStream	commit \| commitdiff \| tree
2020-09-28	Artem Zhmurov	add detection of CPX 5300 w/ 2FMAs	commit \| commitdiff \| tree
2020-09-21	Artem Zhmurov	Do not run PinnedMemoryCheckerTest when there are no...	commit \| commitdiff \| tree
2020-09-21	Artem Zhmurov	Move the message to the deprEcation-policy file	commit \| commitdiff \| tree
2020-09-20	Artem Zhmurov	Set active device when the device stream manager is...	commit \| commitdiff \| tree
2020-09-20	Artem Zhmurov	Allow using old environment variables, but print deprecation...	commit \| commitdiff \| tree
2020-09-17	Artem Zhmurov	Remove the CPU hardware context from the general list...	commit \| commitdiff \| tree
2020-09-15	Artem Zhmurov	Use common device context header for OpenCL	commit \| commitdiff \| tree
2020-09-15	Artem Zhmurov	Fix VSite out of range error message	commit \| commitdiff \| tree
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