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Improve doxygen in some nblib listed forces files
2021-09-29
Szilárd Páll
Allow disabling cj prefetch in the CUDA nbnxm kernels
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2021-09-27
Szilárd Páll
Fix stepWork.useGpuXHalo on search steps
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2021-09-23
Szilárd Páll
Fix incorrect event dependency of GPU update
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2021-08-19
Szilárd Páll
Avoid using cr->duty in setupStepWorkload
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2021-08-19
Szilárd Páll
Use workload flags more in do_md()
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2021-08-19
Szilárd Páll
Add separate PME rank SimluationWorkload flags
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2021-08-19
Szilárd Páll
Clarify StepWorkload doxygen
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2021-08-18
Szilárd Páll
Add PP decomposition simluationWorkload flags
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2021-07-30
Szilárd Páll
Only define GMX_SYCL_DPCPP macro in SYLC builds
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2021-06-08
Szilárd Páll
Work around hipSYCL buffer reinterpret error
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2021-06-04
Szilárd Páll
Require CUDA 11.0
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2021-06-04
Szilárd Páll
Move useMts flag from forcerec to simulationWorkload
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2021-06-03
Szilárd Páll
Fix getLocalAtomCount()
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2021-06-03
Szilárd Páll
Add domainWorkload flags for CPU local force contributions
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2021-06-03
Szilárd Páll
Add a getter function for the local atom count
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2021-05-26
Szilárd Páll
Eliminate redundant GPU force reduction event dependency
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2021-05-26
Szilárd Páll
Implement generic j-reduction in the nbnxm SYCL kernels
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2021-05-21
Szilárd Páll
Workaround for a hipSYCL assertion error
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2021-05-11
Szilárd Páll
Remove GMX_FORCE_DO_NOT_NEED_NORMAL_FORCE legacy flag...
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2021-05-11
Szilárd Páll
Eliminate duplicate CPU->GPU copy of x
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2021-05-10
Szilárd Páll
Move PME-GPU do_force() local bool into stepWorkload
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2021-05-03
Szilárd Páll
Mention the users forums on the user-guide front page
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2021-05-03
Szilárd Páll
Allow using CPU PME with DD and GPU update
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2021-04-22
Szilárd Páll
Fix doxygen of the SYCL atomicFetchAdd
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2021-04-21
Szilárd Páll
Remove isnormal() check around the atomic increment
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2021-04-21
Szilárd Páll
Fix nbnxm hipSYCL kernels 64-wide exec on AMD
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2021-04-12
Szilárd Páll
Workaround for compilation with hipSYCL 0.9.1
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2021-03-26
Szilárd Páll
Allow setting nbnxm cluster size for SYCL
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2021-03-23
Szilárd Páll
Fix deviceIdsAssigned() to return a unique list of IDs
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2021-03-22
Szilárd Páll
Remove a misplaced update cycle closing
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2021-03-21
Szilárd Páll
Rename sendFToPpCudaDirect
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2021-03-14
Szilárd Páll
Use existing PME f ready event in PmeForceSenderGpu
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2021-03-13
Szilárd Páll
Rename launchReceiveCoordinatesFromPpCudaDirect
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2021-03-11
Szilárd Páll
Simplify gmx_pme_send_force_vir_ener()
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2021-03-05
Szilárd Páll
Clarify the SYCL subgroup size on different targets
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2021-03-04
Szilárd Páll
Simplify LJ parameter lookup
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2021-02-18
Szilárd Páll
Clean up box vector constants in do_force
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2021-02-16
Szilárd Páll
Support checking event status in GpuEventSynchronizer
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2021-02-07
Szilárd Páll
Fix clang-tidy 11 warning in nbnxm ocl kernels
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2021-02-02
Szilárd Páll
Improve DLB recommendation
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2021-01-29
Szilárd Páll
Improve CUDA codegen flags
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2021-01-26
Szilárd Páll
Change default Ewald kernel to tabulated on NVIDIA...
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2021-01-22
Szilárd Páll
Disable CUDA textures also on NVIDIA Ampere A100
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2021-01-21
Szilárd Páll
Minor naming fix in OpenCL nbnxm kernels
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2021-01-19
Szilárd Páll
Disable CUDA textures on NVIDIA Volta
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2021-01-19
Szilárd Páll
Add G. Gouaillardet to the list of contributors
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2021-01-05
Szilárd Páll
Update src/regressiontests URLs to https
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2020-12-31
Szilárd Páll
Bump version post-release to rc2
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2020-12-30
Szilárd Páll
GROMACS 2021-rc1 release candidate
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2020-11-11
Szilárd Páll
Fix gcc 9 "warning: ‘unused’ attribute ignored"
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2020-11-10
Szilárd Páll
GPU codepath cycle counting fixes
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2020-11-09
Szilárd Páll
Fix cycle counting in StatePropagatorDataGpu
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2020-11-03
Szilárd Páll
Add missing wallcycle_stop
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2020-10-30
Szilárd Páll
Clang format
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2020-10-30
Szilárd Páll
Add fvec doxygen
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2020-10-30
Szilárd Páll
Fix AMD OpenCL float3 array optimization bug
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2020-10-27
Szilárd Páll
Fix clang-tidy v10 warnigns in OpenCL kernels
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2020-10-24
Szilárd Páll
Exclude CUDA 10.2 as well from C++17 compilation
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2020-10-22
Szilárd Páll
Add missing GPU force reduction cycle counting
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2020-10-21
Szilárd Páll
Add missing cycle counting for GPU halo exchange calls
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2020-10-20
Szilárd Páll
Allow gcc-9 on Power 9
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2020-10-09
Szilárd Páll
Fix NBLIB CMake error message
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2020-10-01
Szilárd Páll
Update mdrun-performance.rst
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2020-09-24
Szilárd Páll
Improve OpenCL log/error reporting
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2020-09-03
Szilárd Páll
Move mixplaced release notes entry
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2020-04-12
Szilárd Páll
Fix clang 10 -Wimplicit-int-float-conversion warnings
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2020-03-19
Szilárd Páll
Fix DLB initial state reporting
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2020-03-11
Szilárd Páll
Reorganize dipole calculation in do_force
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2020-02-26
Szilárd Páll
Avoid mdrun terminate due to GPU sanity check errors
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2020-02-26
Szilárd Páll
Document NVIDIA OpenCL broken on Volta and Turing
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2020-02-26
Szilárd Páll
Remove outdated PME-GPU limitation in user guide
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2020-02-25
Szilárd Páll
Improve GPU update tasks assignment consistency
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2020-02-17
Szilárd Páll
Add simulation workload flag for dipole computation
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2020-02-15
Szilárd Páll
Fix gpuudpate and gpucomm matrix docs
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2020-02-11
Szilárd Páll
Fix incorrect GPU update task assignment fallback
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2020-02-10
Szilárd Páll
Avoid dev flags in triggering gpuupdate nightly matrix
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2020-02-10
Szilárd Páll
Avoid (re)initializing GPU update without DD
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2020-02-06
Szilárd Páll
Remove mu_tot from compute_globals()
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2020-01-31
Szilárd Páll
Eliminate the legacyFlags manipulation in do_force()
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2020-01-31
Szilárd Páll
Remove BufferOpsUseGpu enum
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2020-01-29
Szilárd Páll
Small improvement in OpenCL error handling
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2020-01-24
Szilárd Páll
Add target for offline PME OpenCL compilation
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2020-01-24
Szilárd Páll
Fix deadlock in PP-PME balancing startup delay
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2020-01-19
Szilárd Páll
Template X buffer ops on setFillerCoords
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2020-01-16
Szilárd Páll
Fix PME run mode without PME
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2020-01-10
Szilárd Páll
Improve mdrun performance user guide
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2019-12-20
Szilárd Páll
Enable buffer ops when GMX_GPU_DD_COMMS is set
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2019-12-19
Szilárd Páll
PP-PME load balancing improvements
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2019-12-18
Szilárd Páll
Allow x D2H to overlap with GPU force compute
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2019-12-17
Szilárd Páll
Comment the use of waitCoordinatesCopiedToDevice
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2019-12-17
Szilárd Páll
Add wallcycle counting to StatePropagatorDataGpu
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2019-12-16
Szilárd Páll
Fix the GPU bonded stream with 1 PP + 1 PME rank
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2019-12-12
Szilárd Páll
Allow overlapping CPU force H2D with compute
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2019-11-17
Szilárd Páll
Trigger ocl_nbnxm_kernels target with clang-tidy
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2019-11-17
Szilárd Páll
Fix clang-tidy 8 warnings in OpenCL nbnxm kernels
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2019-11-03
Szilárd Páll
Improve SimulationWorkload doxygen
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2019-11-01
Szilárd Páll
Rename reference checksum generating target
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2019-11-01
Szilárd Páll
Use "-" in checksum-related version suffix
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2019-11-01
Szilárd Páll
Improve workload data structures' docs
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2019-10-28
Szilárd Páll
Extend SimulationWorkload with CPU flags
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