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Unify CUDA and OpenCL lookup-table creation
2020-05-15
Artem Zhmurov
Unify CUDA and OpenCL lookup-table creation
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2020-05-11
Artem Zhmurov
Remove the duplicating note from the release notes
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2020-05-11
Artem Zhmurov
Unify CUDA and OpenCL lookup-table creation
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2020-05-05
Artem Zhmurov
Unify CUDA and OpenCL lookup-table creation
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2020-05-04
Artem Zhmurov
Unify CUDA and OpenCL lookup-table creation
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2020-04-29
Artem Zhmurov
Fix the number of steps check when checkpoint is loaded
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2020-04-27
Artem Zhmurov
Fix the removal of COM velocity in case of GPU update
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2020-04-27
Artem Zhmurov
Move PBC setup out of the launchKernel(...) in GPU...
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2020-04-20
Artem Zhmurov
Fix the number of steps check when checkpoint is loaded
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2020-04-16
Artem Zhmurov
New cool quote
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2020-04-16
Artem Zhmurov
Unify CUDA and OpenCL lookup-table creation
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2020-03-25
Artem Zhmurov
Make use of the DeviceStreamManager
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2020-03-23
Artem Zhmurov
Introduce DeviceStreamManager
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2020-03-20
Artem Zhmurov
Add OpenCL error reporting to GPU region timer
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2020-03-20
Artem Zhmurov
Small fixes to the DeviceStream
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2020-03-19
Artem Zhmurov
Store DeviceInformation inside the DeviceContext class
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2020-03-19
Artem Zhmurov
Pass DeviceContext instead of GPU runtime data when...
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2020-03-18
Artem Zhmurov
Make some doxygen errors more clear
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2020-03-13
Artem Zhmurov
Combine initialization routines for GPUs assigned to...
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2020-03-13
Artem Zhmurov
Remove stream from GPU kernel launch config
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2020-03-13
Artem Zhmurov
Use DeviceStream init(...) function to create streams
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2020-03-13
Artem Zhmurov
Make DeviceStream into a class
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2020-03-11
Artem Zhmurov
Fix the post-submit failures
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2020-03-11
Artem Zhmurov
Take over management of OpenCL context from PME and...
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2020-03-10
Artem Zhmurov
Use init(..) function to build DeviceContext
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2020-03-09
Artem Zhmurov
Make DeviceContext into a proper class
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2020-03-05
Artem Zhmurov
Finalize renaming of bEnerVir to computeEnergyAndVirial
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2020-03-04
Artem Zhmurov
Do not count PME only rank when initializing NBNXM
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2020-03-03
Artem Zhmurov
Move the PmePPCommGpu initialization from forcerec...
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2020-03-02
Artem Zhmurov
Update the message on whether update and constraints...
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2020-02-25
Artem Zhmurov
Fix the RVec to float3 conversion test
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2020-02-22
Artem Zhmurov
Add missing header and disable failing test
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2020-02-21
Artem Zhmurov
Refactor and enable RVec to float conversion test
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2020-02-20
Artem Zhmurov
Do not call PME GPU builder in CPU code paths
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2020-02-20
Artem Zhmurov
Use GROMACS wrappers for EXPECT_THROW/NO_THROW in PME...
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2020-02-20
Artem Zhmurov
Use CUDA float3 vector type instead of fvec in GPU...
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2020-02-11
Artem Zhmurov
Clean up trivial function and duplicating macroses...
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2020-02-11
Artem Zhmurov
Fix the nightly failure
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2020-02-08
Artem Zhmurov
Temporary disable RVec->float3 conversion test to fix...
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2020-02-06
Artem Zhmurov
Use RVec instead of float for x, v and f device buffers
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2020-02-06
Artem Zhmurov
Move DeviceInfo into GPU traits
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2020-02-05
Artem Zhmurov
Make OpenCL DeviceVendor into enum class and move to...
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2020-02-05
Artem Zhmurov
Move non-bonded initialization out of the forcerec
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2020-02-05
Artem Zhmurov
Fix typo in and remove a couple of duplicates from...
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2020-02-03
Artem Zhmurov
Enable GPU update for supported cases of FEP
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2020-02-01
Artem Zhmurov
Couple cool quotes
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2020-02-01
Artem Zhmurov
Merge "Merge branch origin/release-2020 into master"
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2020-01-30
Artem Zhmurov
Cleaning booleans in NBNXM in OpenCL build
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2020-01-29
Artem Zhmurov
Reorganize GPU stuff initialization in PME-only ranks
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2020-01-29
Artem Zhmurov
Split and move the checkDeviceBuffer(...) function...
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2020-01-29
Artem Zhmurov
Remove the rest of the device coordinates management...
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2020-01-29
Artem Zhmurov
Rename UpdateConstraintsCuda to UpdateConstraintsGpu
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2020-01-23
Artem Zhmurov
Fix a couple of commas in cool quotes
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2020-01-20
Artem Zhmurov
Rename SettleCuda to SettleGpu
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2020-01-20
Artem Zhmurov
Rename LincsCuda into LincsGpu
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2020-01-20
Artem Zhmurov
Rename LeapFrogCuda to LeapFrogGpu
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2020-01-13
Artem Zhmurov
Report if update is running on the GPU or on the CPU
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2020-01-09
Artem Zhmurov
Change signature of the setPbc(...) method in update...
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2020-01-09
Artem Zhmurov
Make PBC type enumeration into PbcType enum class
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2019-12-31
Artem Zhmurov
Inform user why forcing GPU update is not possible
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2019-12-31
Artem Zhmurov
Add description of GMX_FORCE_UPDATE_DEFAULT_GPU dev...
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2019-12-31
Artem Zhmurov
Fix gpuupdate matrix
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2019-12-28
Artem Zhmurov
Change the behavior of the GPU update UI
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2019-12-27
Artem Zhmurov
Add a note to the log file when -update gpu was set...
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2019-12-27
Artem Zhmurov
Clean bad auto-format in decidegpuusage doxygen comments
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2019-12-17
Artem Zhmurov
Clean-up buffer-ops CUDA kernels
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2019-12-13
Artem Zhmurov
Clean up outdated comments in md.cpp
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2019-12-12
Artem Zhmurov
Allow using GPU update with DD and update groups
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2019-12-11
Artem Zhmurov
Enable most of the pulling flavors with GPU update
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2019-12-11
Artem Zhmurov
Clarify what setting zero to some output mdp options...
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2019-12-10
Artem Zhmurov
Avoid unnecessary reinterpret_cast of coordinates buffer
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2019-12-10
Artem Zhmurov
Set GPU update to false in case of a rerun
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2019-12-06
Artem Zhmurov
Pass array ref instead of casting to basic array in...
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2019-11-29
Artem Zhmurov
Print OpenCL error info in case of failed assertion...
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2019-11-29
Artem Zhmurov
Make Leap-Frog CUDA kernel selection safer
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2019-11-29
Artem Zhmurov
Rename some variables in GPU Update
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2019-11-28
Artem Zhmurov
Clear device force buffer if it was reallocated
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2019-11-28
Artem Zhmurov
Fix pressure coupling with GPU update
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2019-11-27
Artem Zhmurov
Combine two booleans in md loop
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2019-11-27
Artem Zhmurov
Add method for coordinates scaling into GPU update...
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2019-11-26
Artem Zhmurov
Remove the PBC management from LINCS, SETTLE and Leap...
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2019-11-25
Artem Zhmurov
Use same matrix for Parrinello-Rahman and Berendsen...
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2019-11-25
Artem Zhmurov
Fix index mapping issue with LINCS on GPU
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2019-11-23
Artem Zhmurov
New cool quote
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2019-11-20
Artem Zhmurov
Add D2H copies for the checkpointing
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2019-11-20
Artem Zhmurov
Move the copy of the velocities for the output closer...
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2019-11-19
Artem Zhmurov
Fix icc-19 warning in nightly matrix
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2019-11-15
Artem Zhmurov
Removing code duplications in StatePropagatorDataGpu
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2019-11-13
Artem Zhmurov
Use same matrix for Parrinello-Rahman and Berendsen...
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2019-10-31
Artem Zhmurov
Remove excessive H2D and D2H copies of forces when...
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2019-10-29
Artem Zhmurov
Disable GPU update when coordinates swapping is enabled
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2019-10-29
Artem Zhmurov
Switch the GPU buffer ops on when update is on GPU
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2019-10-28
Artem Zhmurov
Fix missing coordinate D2H copy with GPU update and...
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2019-10-28
Artem Zhmurov
Add haveCpuLocalForces flag to DomainLifetimeWorkload
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2019-10-28
Artem Zhmurov
Allow using update flag
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2019-10-23
Artem Zhmurov
Slight improvements to decideWhetherToUseGpuForUpdate...
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2019-10-22
Artem Zhmurov
Remove unnecessary CUDA stream synchronization calls
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2019-10-22
Artem Zhmurov
Rename havePositionRestraints(...) to haveRestraints...
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2019-10-21
Artem Zhmurov
Update the copyright message
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2019-10-21
Artem Zhmurov
Add environment variable that changes the meaning of...
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