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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
2020-06-04	Artem Zhmurov	Make a error message less confusing	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
2020-01-29	Artem Zhmurov	Rename UpdateConstraintsCuda to UpdateConstraintsGpu	commit \| commitdiff \| tree
2020-01-23	Artem Zhmurov	Fix a couple of commas in cool quotes	commit \| commitdiff \| tree
2020-01-20	Artem Zhmurov	Rename SettleCuda to SettleGpu	commit \| commitdiff \| tree
2020-01-20	Artem Zhmurov	Rename LincsCuda into LincsGpu	commit \| commitdiff \| tree
2020-01-20	Artem Zhmurov	Rename LeapFrogCuda to LeapFrogGpu	commit \| commitdiff \| tree
2020-01-13	Artem Zhmurov	Report if update is running on the GPU or on the CPU	commit \| commitdiff \| tree
2020-01-09	Artem Zhmurov	Change signature of the setPbc(...) method in update...	commit \| commitdiff \| tree
2020-01-09	Artem Zhmurov	Make PBC type enumeration into PbcType enum class	commit \| commitdiff \| tree
2019-12-31	Artem Zhmurov	Inform user why forcing GPU update is not possible	commit \| commitdiff \| tree
2019-12-31	Artem Zhmurov	Add description of GMX_FORCE_UPDATE_DEFAULT_GPU dev...	commit \| commitdiff \| tree
2019-12-31	Artem Zhmurov	Fix gpuupdate matrix	commit \| commitdiff \| tree
2019-12-28	Artem Zhmurov	Change the behavior of the GPU update UI	commit \| commitdiff \| tree
2019-12-27	Artem Zhmurov	Add a note to the log file when -update gpu was set...	commit \| commitdiff \| tree
2019-12-27	Artem Zhmurov	Clean bad auto-format in decidegpuusage doxygen comments	commit \| commitdiff \| tree
2019-12-17	Artem Zhmurov	Clean-up buffer-ops CUDA kernels	commit \| commitdiff \| tree
2019-12-13	Artem Zhmurov	Clean up outdated comments in md.cpp	commit \| commitdiff \| tree
2019-12-12	Artem Zhmurov	Allow using GPU update with DD and update groups	commit \| commitdiff \| tree
2019-12-11	Artem Zhmurov	Enable most of the pulling flavors with GPU update	commit \| commitdiff \| tree
2019-12-11	Artem Zhmurov	Clarify what setting zero to some output mdp options...	commit \| commitdiff \| tree
2019-12-10	Artem Zhmurov	Avoid unnecessary reinterpret_cast of coordinates buffer	commit \| commitdiff \| tree
2019-12-10	Artem Zhmurov	Set GPU update to false in case of a rerun	commit \| commitdiff \| tree
2019-12-06	Artem Zhmurov	Pass array ref instead of casting to basic array in...	commit \| commitdiff \| tree
2019-11-29	Artem Zhmurov	Print OpenCL error info in case of failed assertion...	commit \| commitdiff \| tree
2019-11-29	Artem Zhmurov	Make Leap-Frog CUDA kernel selection safer	commit \| commitdiff \| tree
2019-11-29	Artem Zhmurov	Rename some variables in GPU Update	commit \| commitdiff \| tree
2019-11-28	Artem Zhmurov	Clear device force buffer if it was reallocated	commit \| commitdiff \| tree
2019-11-28	Artem Zhmurov	Fix pressure coupling with GPU update	commit \| commitdiff \| tree
2019-11-27	Artem Zhmurov	Combine two booleans in md loop	commit \| commitdiff \| tree
2019-11-27	Artem Zhmurov	Add method for coordinates scaling into GPU update...	commit \| commitdiff \| tree
2019-11-26	Artem Zhmurov	Remove the PBC management from LINCS, SETTLE and Leap...	commit \| commitdiff \| tree
2019-11-25	Artem Zhmurov	Use same matrix for Parrinello-Rahman and Berendsen...	commit \| commitdiff \| tree
2019-11-25	Artem Zhmurov	Fix index mapping issue with LINCS on GPU	commit \| commitdiff \| tree
2019-11-23	Artem Zhmurov	New cool quote	commit \| commitdiff \| tree
2019-11-20	Artem Zhmurov	Add D2H copies for the checkpointing	commit \| commitdiff \| tree
2019-11-20	Artem Zhmurov	Move the copy of the velocities for the output closer...	commit \| commitdiff \| tree
2019-11-19	Artem Zhmurov	Fix icc-19 warning in nightly matrix	commit \| commitdiff \| tree
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