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SYCL: Avoid using no_init read accessor in rocFFT
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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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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