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Add FloatN aliases to OpenCL and use them in NBNXM
2021-02-22
Artem Zhmurov
Add FloatN aliases to OpenCL and use them in NBNXM
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2021-02-22
Artem Zhmurov
Add FloatN aliases to CUDA and use them in NBNXM
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2021-02-20
Artem Zhmurov
Set temperature scaling groups upon construction of...
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2021-02-19
Artem Zhmurov
Unify and clarify a couple of macro definitions in...
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2021-02-17
Artem Zhmurov
Use GpuEventSynchronizer in NBNXM
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2021-02-11
Artem Zhmurov
Fix MPI build
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2021-02-09
Artem Zhmurov
Name streams after locality
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2021-02-09
Artem Zhmurov
Fix clang-format
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2021-02-08
Artem Zhmurov
Parametrize constraints test over the test systems
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2021-02-04
Artem Zhmurov
Make LJ combination rule enum into an enum class
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2021-02-02
Artem Zhmurov
Use make_unique instead of reset when private implementation...
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2021-01-29
Artem Zhmurov
Rmove dependency on Constraints object from compute_globals...
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2020-11-24
Artem Zhmurov
Improve handling of CUDA API errors
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2020-11-23
Artem Zhmurov
Make corresponding device active before each TestDevice...
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2020-11-23
Artem Zhmurov
Separate VV first and second steps from MD loop
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2020-11-23
Artem Zhmurov
Remove coolquote that sounds offensive without context
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2020-11-17
Artem Zhmurov
Use lambdas to get the list of PBC names from the map...
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2020-11-09
Artem Zhmurov
Remove source file that is no longer in use
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2020-11-06
Artem Zhmurov
Fix doxygen comments formattig in update.h
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2020-11-03
Artem Zhmurov
Make the message why GPU bondeds are not available...
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2020-10-27
Artem Zhmurov
Remove unused velocity scaling enum value
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2020-10-26
Artem Zhmurov
Clear constraints RMSD values upon domains reset
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2020-10-22
Artem Zhmurov
Use and properly initialize PRNG when hardware random...
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2020-10-22
Artem Zhmurov
Introduce intermediate variable so that compiler will...
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2020-10-22
Artem Zhmurov
Fix formatting of the authors list
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2020-10-12
Artem Zhmurov
Fix the seeding of PRNG when it is used instead of RG
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2020-10-09
Artem Zhmurov
Cool quote picking can freeze when hardware random...
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2020-10-08
Artem Zhmurov
Add Andrey Alekseenko to the list of authors
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2020-10-06
Artem Zhmurov
Remove unused canComputeOnGpu(...) function from device...
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2020-10-06
Artem Zhmurov
Simplify GPU usage decision function signatures
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2020-10-06
Artem Zhmurov
Use new GPU infrastructure in MDLib tests
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2020-10-01
Artem Zhmurov
Add missing include into the tests comparison helper
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2020-09-30
Artem Zhmurov
Restore destructor for GpuTest and gmx_hw_info_t
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2020-09-29
Artem Zhmurov
Don't use fah_fsync
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2020-09-29
Artem Zhmurov
Remove two-stage initialization in DeviceStream
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2020-09-28
Artem Zhmurov
add detection of CPX 5300 w/ 2FMAs
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2020-09-21
Artem Zhmurov
Do not run PinnedMemoryCheckerTest when there are no...
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2020-09-21
Artem Zhmurov
Move the message to the deprEcation-policy file
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2020-09-20
Artem Zhmurov
Set active device when the device stream manager is...
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2020-09-20
Artem Zhmurov
Allow using old environment variables, but print deprecation...
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2020-09-17
Artem Zhmurov
Remove the CPU hardware context from the general list...
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2020-09-15
Artem Zhmurov
Use common device context header for OpenCL
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2020-09-15
Artem Zhmurov
Fix VSite out of range error message
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2020-09-14
Artem Zhmurov
Use common device context header for OpenCL
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2020-09-11
Artem Zhmurov
Define stubs for GPU data structures in SYCL to make...
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2020-09-10
Artem Zhmurov
Use common device context header for OpenCL
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2020-09-10
Artem Zhmurov
Use device information object instead of id when performing...
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2020-09-10
Artem Zhmurov
Unify more functions in CUDA and OpenCL implementations...
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2020-09-09
Artem Zhmurov
Restore GMX_FORCE_UPDATE_DEFAULT_GPU environment varible...
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2020-09-07
Artem Zhmurov
Remove in-body comment from init_forcerec(...) function
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2020-09-07
Artem Zhmurov
Fix clang-format
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2020-09-07
Artem Zhmurov
Access the device status directly, remove the getter
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2020-08-24
Artem Zhmurov
Move GPU devices management into hardware subfolder
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2020-08-14
Artem Zhmurov
Fix DeviceStreamManager tests
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2020-07-29
Artem Zhmurov
Revert c++-17 features that are not supported by CUDA...
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2020-07-29
Artem Zhmurov
Revert c++-17 features that are not supported by CUDA...
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2020-07-27
Artem Zhmurov
Fix clang-tidy warning
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2020-07-15
Artem Zhmurov
Fix the suspicious string literal error in GPU status...
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2020-07-07
Artem Zhmurov
Make cl_nbparam into a struct
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2020-06-26
Artem Zhmurov
Make holder for simulation configuration
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2020-06-25
Artem Zhmurov
Make cl_nbparam into a struct
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2020-06-24
Artem Zhmurov
Fix minor nit-picks
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2020-06-22
Artem Zhmurov
Remove DeviceStream include from GPU traits
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2020-06-16
Artem Zhmurov
Add missing end-of-line in the GPU update assignment...
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2020-06-12
Artem Zhmurov
Replace compile_cpp_as_cuda(...) with CUDA runtime...
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2020-06-09
Artem Zhmurov
Make SD stuff private for update.cpp
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2020-06-09
Artem Zhmurov
Make SD stuff private for update.cpp
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2020-06-08
Artem Zhmurov
Move constraints related logic to constraints file
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2020-06-08
Artem Zhmurov
Unify VdW and Electrostatic kernel enumerations in...
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2020-06-05
Artem Zhmurov
Move calculation of kinetic energy to md_support
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2020-06-05
Artem Zhmurov
Make a error message less confusing
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2020-06-04
Artem Zhmurov
Make a error message less confusing
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2020-06-04
Artem Zhmurov
Update the release notes
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2020-06-04
Artem Zhmurov
Cool quote
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2020-05-29
Artem Zhmurov
Unify initialization of GPU and CPU SETTLE
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2020-05-26
Artem Zhmurov
Remove the dependence on Constraints object on t_mdatoms
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2020-05-25
Artem Zhmurov
Remove dependence on t_mdatoms from GPU version of...
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2020-05-23
Artem Zhmurov
Remove dependence on t_mdatoms from pull code
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2020-05-22
Artem Zhmurov
Remove dependence of constraints on t_mdatoms
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2020-05-22
Artem Zhmurov
Remove dependence of constraints on t_mdatoms
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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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