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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	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
2020-09-14	Artem Zhmurov	Use common device context header for OpenCL	commit \| commitdiff \| tree
2020-09-11	Artem Zhmurov	Define stubs for GPU data structures in SYCL to make...	commit \| commitdiff \| tree
2020-09-10	Artem Zhmurov	Use common device context header for OpenCL	commit \| commitdiff \| tree
2020-09-10	Artem Zhmurov	Use device information object instead of id when performing...	commit \| commitdiff \| tree
2020-09-10	Artem Zhmurov	Unify more functions in CUDA and OpenCL implementations...	commit \| commitdiff \| tree
2020-09-09	Artem Zhmurov	Restore GMX_FORCE_UPDATE_DEFAULT_GPU environment varible...	commit \| commitdiff \| tree
2020-09-07	Artem Zhmurov	Remove in-body comment from init_forcerec(...) function	commit \| commitdiff \| tree
2020-09-07	Artem Zhmurov	Fix clang-format	commit \| commitdiff \| tree
2020-09-07	Artem Zhmurov	Access the device status directly, remove the getter	commit \| commitdiff \| tree
2020-08-24	Artem Zhmurov	Move GPU devices management into hardware subfolder	commit \| commitdiff \| tree
2020-08-14	Artem Zhmurov	Fix DeviceStreamManager tests	commit \| commitdiff \| tree
2020-07-29	Artem Zhmurov	Revert c++-17 features that are not supported by CUDA...	commit \| commitdiff \| tree
2020-07-29	Artem Zhmurov	Revert c++-17 features that are not supported by CUDA...	commit \| commitdiff \| tree
2020-07-27	Artem Zhmurov	Fix clang-tidy warning	commit \| commitdiff \| tree
2020-07-15	Artem Zhmurov	Fix the suspicious string literal error in GPU status...	commit \| commitdiff \| tree
2020-07-07	Artem Zhmurov	Make cl_nbparam into a struct	commit \| commitdiff \| tree
2020-06-26	Artem Zhmurov	Make holder for simulation configuration	commit \| commitdiff \| tree
2020-06-25	Artem Zhmurov	Make cl_nbparam into a struct	commit \| commitdiff \| tree
2020-06-24	Artem Zhmurov	Fix minor nit-picks	commit \| commitdiff \| tree
2020-06-22	Artem Zhmurov	Remove DeviceStream include from GPU traits	commit \| commitdiff \| tree
2020-06-16	Artem Zhmurov	Add missing end-of-line in the GPU update assignment...	commit \| commitdiff \| tree
2020-06-12	Artem Zhmurov	Replace compile_cpp_as_cuda(...) with CUDA runtime...	commit \| commitdiff \| tree
2020-06-09	Artem Zhmurov	Make SD stuff private for update.cpp	commit \| commitdiff \| tree
2020-06-09	Artem Zhmurov	Make SD stuff private for update.cpp	commit \| commitdiff \| tree
2020-06-08	Artem Zhmurov	Move constraints related logic to constraints file	commit \| commitdiff \| tree
2020-06-08	Artem Zhmurov	Unify VdW and Electrostatic kernel enumerations in...	commit \| commitdiff \| tree
2020-06-05	Artem Zhmurov	Move calculation of kinetic energy to md_support	commit \| commitdiff \| tree
2020-06-05	Artem Zhmurov	Make a error message less confusing	commit \| commitdiff \| tree
2020-06-04	Artem Zhmurov	Make a error message less confusing	commit \| commitdiff \| tree
2020-06-04	Artem Zhmurov	Update the release notes	commit \| commitdiff \| tree
2020-06-04	Artem Zhmurov	Cool quote	commit \| commitdiff \| tree
2020-05-29	Artem Zhmurov	Unify initialization of GPU and CPU SETTLE	commit \| commitdiff \| tree
2020-05-26	Artem Zhmurov	Remove the dependence on Constraints object on t_mdatoms	commit \| commitdiff \| tree
2020-05-25	Artem Zhmurov	Remove dependence on t_mdatoms from GPU version of...	commit \| commitdiff \| tree
2020-05-23	Artem Zhmurov	Remove dependence on t_mdatoms from pull code	commit \| commitdiff \| tree
2020-05-22	Artem Zhmurov	Remove dependence of constraints on t_mdatoms	commit \| commitdiff \| tree
2020-05-22	Artem Zhmurov	Remove dependence of constraints on t_mdatoms	commit \| commitdiff \| tree
2020-05-15	Artem Zhmurov	Unify CUDA and OpenCL lookup-table creation	commit \| commitdiff \| tree
2020-05-11	Artem Zhmurov	Remove the duplicating note from the release notes	commit \| commitdiff \| tree
2020-05-11	Artem Zhmurov	Unify CUDA and OpenCL lookup-table creation	commit \| commitdiff \| tree
2020-05-05	Artem Zhmurov	Unify CUDA and OpenCL lookup-table creation	commit \| commitdiff \| tree
2020-05-04	Artem Zhmurov	Unify CUDA and OpenCL lookup-table creation	commit \| commitdiff \| tree
2020-04-29	Artem Zhmurov	Fix the number of steps check when checkpoint is loaded	commit \| commitdiff \| tree
2020-04-27	Artem Zhmurov	Fix the removal of COM velocity in case of GPU update	commit \| commitdiff \| tree
2020-04-27	Artem Zhmurov	Move PBC setup out of the launchKernel(...) in GPU...	commit \| commitdiff \| tree
2020-04-20	Artem Zhmurov	Fix the number of steps check when checkpoint is loaded	commit \| commitdiff \| tree
2020-04-16	Artem Zhmurov	New cool quote	commit \| commitdiff \| tree
2020-04-16	Artem Zhmurov	Unify CUDA and OpenCL lookup-table creation	commit \| commitdiff \| tree
2020-03-25	Artem Zhmurov	Make use of the DeviceStreamManager	commit \| commitdiff \| tree
2020-03-23	Artem Zhmurov	Introduce DeviceStreamManager	commit \| commitdiff \| tree
2020-03-20	Artem Zhmurov	Add OpenCL error reporting to GPU region timer	commit \| commitdiff \| tree
2020-03-20	Artem Zhmurov	Small fixes to the DeviceStream	commit \| commitdiff \| tree
2020-03-19	Artem Zhmurov	Store DeviceInformation inside the DeviceContext class	commit \| commitdiff \| tree
2020-03-19	Artem Zhmurov	Pass DeviceContext instead of GPU runtime data when...	commit \| commitdiff \| tree
2020-03-18	Artem Zhmurov	Make some doxygen errors more clear	commit \| commitdiff \| tree
2020-03-13	Artem Zhmurov	Combine initialization routines for GPUs assigned to...	commit \| commitdiff \| tree
2020-03-13	Artem Zhmurov	Remove stream from GPU kernel launch config	commit \| commitdiff \| tree
2020-03-13	Artem Zhmurov	Use DeviceStream init(...) function to create streams	commit \| commitdiff \| tree
2020-03-13	Artem Zhmurov	Make DeviceStream into a class	commit \| commitdiff \| tree
2020-03-11	Artem Zhmurov	Fix the post-submit failures	commit \| commitdiff \| tree
2020-03-11	Artem Zhmurov	Take over management of OpenCL context from PME and...	commit \| commitdiff \| tree
2020-03-10	Artem Zhmurov	Use init(..) function to build DeviceContext	commit \| commitdiff \| tree
2020-03-09	Artem Zhmurov	Make DeviceContext into a proper class	commit \| commitdiff \| tree
2020-03-05	Artem Zhmurov	Finalize renaming of bEnerVir to computeEnergyAndVirial	commit \| commitdiff \| tree
2020-03-04	Artem Zhmurov	Do not count PME only rank when initializing NBNXM	commit \| commitdiff \| tree
2020-03-03	Artem Zhmurov	Move the PmePPCommGpu initialization from forcerec...	commit \| commitdiff \| tree
2020-03-02	Artem Zhmurov	Update the message on whether update and constraints...	commit \| commitdiff \| tree
2020-02-25	Artem Zhmurov	Fix the RVec to float3 conversion test	commit \| commitdiff \| tree
2020-02-22	Artem Zhmurov	Add missing header and disable failing test	commit \| commitdiff \| tree
2020-02-21	Artem Zhmurov	Refactor and enable RVec to float conversion test	commit \| commitdiff \| tree
2020-02-20	Artem Zhmurov	Do not call PME GPU builder in CPU code paths	commit \| commitdiff \| tree
2020-02-20	Artem Zhmurov	Use GROMACS wrappers for EXPECT_THROW/NO_THROW in PME...	commit \| commitdiff \| tree
2020-02-20	Artem Zhmurov	Use CUDA float3 vector type instead of fvec in GPU...	commit \| commitdiff \| tree
2020-02-11	Artem Zhmurov	Clean up trivial function and duplicating macroses...	commit \| commitdiff \| tree
2020-02-11	Artem Zhmurov	Fix the nightly failure	commit \| commitdiff \| tree
2020-02-08	Artem Zhmurov	Temporary disable RVec->float3 conversion test to fix...	commit \| commitdiff \| tree
2020-02-06	Artem Zhmurov	Use RVec instead of float for x, v and f device buffers	commit \| commitdiff \| tree
2020-02-06	Artem Zhmurov	Move DeviceInfo into GPU traits	commit \| commitdiff \| tree
2020-02-05	Artem Zhmurov	Make OpenCL DeviceVendor into enum class and move to...	commit \| commitdiff \| tree
2020-02-05	Artem Zhmurov	Move non-bonded initialization out of the forcerec	commit \| commitdiff \| tree
2020-02-05	Artem Zhmurov	Fix typo in and remove a couple of duplicates from...	commit \| commitdiff \| tree
2020-02-03	Artem Zhmurov	Enable GPU update for supported cases of FEP	commit \| commitdiff \| tree
2020-02-01	Artem Zhmurov	Couple cool quotes	commit \| commitdiff \| tree
2020-02-01	Artem Zhmurov	Merge "Merge branch origin/release-2020 into master"	commit \| commitdiff \| tree
2020-01-30	Artem Zhmurov	Cleaning booleans in NBNXM in OpenCL build	commit \| commitdiff \| tree
2020-01-29	Artem Zhmurov	Reorganize GPU stuff initialization in PME-only ranks	commit \| commitdiff \| tree
2020-01-29	Artem Zhmurov	Split and move the checkDeviceBuffer(...) function...	commit \| commitdiff \| tree
2020-01-29	Artem Zhmurov	Remove the rest of the device coordinates management...	commit \| commitdiff \| tree
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