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Move buffer ops / PME F reduction flags into StepWorkload
2019-10-13
Szilárd Páll
Move buffer ops / PME F reduction flags into StepWorkload
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2019-10-10
Szilárd Páll
Migrate code to using SimulationWorkload flags
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2019-10-10
Szilárd Páll
Remove incorrect GPU task dependency
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2019-10-10
Szilárd Páll
Fix conditions for building StatePropagatorDataGpu
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2019-10-10
Szilárd Páll
Construct a struct with development feature flags
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2019-10-10
Szilárd Páll
Pass list of EventSynchronizers to GPU reduction
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2019-10-10
Szilárd Páll
Add management for coordinates copy events into StatePropaga...
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2019-10-09
Szilárd Páll
Add GPU event to mark that coordinate update is done
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2019-09-30
Szilárd Páll
Move PME GPU program building later
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2019-09-30
Szilárd Páll
Make the wait on PME GPU results conditional
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2019-09-27
Szilárd Páll
Switch GPU update off by default
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2019-09-25
Szilárd Páll
Merge remote-tracking branch 'origin/release-2019'
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2019-09-18
Szilárd Páll
Set up workload data structures
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2019-09-16
Szilárd Páll
Refactor GPU buf ops-related launches in do_force()
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2019-09-16
Szilárd Páll
Eliminate unnecessary GPU stream dependency call
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2019-09-13
Szilárd Páll
Fix GPU X buffer ops with empty domain
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2019-09-12
Szilárd Páll
Reorganize on-GPU PME force reduction flag handling
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2019-09-11
Szilárd Páll
Fix gpucomm matrix
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2019-09-10
Szilárd Páll
Eliminate raw force flags in do_force_lowlevel()
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2019-09-10
Szilárd Páll
Use thread-MPI in the gpucomm matrix
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2019-09-09
Szilárd Páll
Assert the types of OpenCL kernels arguments
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2019-09-09
Szilárd Páll
Pass gmx::ForceFlags to CPU nbnxm dispatch code
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2019-09-09
Szilárd Páll
Pass the new gmx::ForceFlags to the nbnxm module
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2019-09-06
Szilárd Páll
Add gpuupdate and gpucomm OnDemand tokens
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2019-09-04
Szilárd Páll
Bump ARM HPC toolchain in post-submit to v19.3
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2019-09-04
Szilárd Páll
Add back a clang-tidy exception
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2019-09-04
Szilárd Páll
Centralize more MD/force shedule flags
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2019-08-28
Szilárd Páll
Add clang-tidy nightly test with SIMD + OpenCL
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2019-08-28
Szilárd Páll
Move nonbonded GPU wait timing into the GPU module
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2019-08-25
Szilárd Páll
clang-tidy 8 fixes for the GPU host code-path
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2019-08-25
Szilárd Páll
Further fixes for clang-tidy clang version 8
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2019-08-23
Szilárd Páll
Fix clang-tidy warnings in the OpenCL build
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2019-08-23
Szilárd Páll
Fix clang tidy warnings in CUDA build
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2019-08-19
Szilárd Páll
Bump clang-cuda post-submit compiler/CUDA version
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2019-08-19
Szilárd Páll
Switch to ARM HPC toolchain v19.2 in post-submit
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2019-08-19
Szilárd Páll
Work around clang CUDA device code codegen bug
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2019-08-16
Szilárd Páll
Fix sim_util.cpp copyright header
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2019-08-15
Szilárd Páll
Fix OpenCL gather reduction
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2019-08-12
Szilárd Páll
Fix hwloc find package naming and quietness issues
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2019-07-31
Szilárd Páll
Store wcycle pointer in nonbonded_verlet_t
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2019-07-31
Szilárd Páll
Fixes for F buffer ops change
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2019-07-31
Szilárd Páll
Move cycle counting into the GPU bonded module
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2019-07-31
Szilárd Páll
Report when development feature flags are used
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2019-07-31
Szilárd Páll
Move end of step GPU task launches to a function
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2019-07-25
Szilárd Páll
Only stop the CUDA profiler if there are devices
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2019-07-22
Szilárd Páll
Conditionally pin GPU-related grid data
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2019-07-11
Szilárd Páll
Use HostVector for Grid/GridSet data need on-GPU
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2019-07-08
Szilárd Páll
Eliminate a use of double precision in the GPU bonded...
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2019-07-04
Szilárd Páll
Bump latest CUDA + gcc in the pre-submit matrix
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2019-07-04
Szilárd Páll
Fix a -Wformat-truncation warning in tng
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2019-07-01
Szilárd Páll
Refactor tracking of GPU short-range work/skipping
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2019-06-30
Szilárd Páll
Create dedicated subcounter for nonbonded FEP
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2019-06-28
Szilárd Páll
Separate CPU NB kernel and buffer clearing subcounters
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2019-06-27
Szilárd Páll
Remove already resolved post-submit matrix TODO
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2019-06-24
Szilárd Páll
Only use AVX512 in own-FFTW if GROMACS also uses it
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2019-06-19
Szilárd Páll
Disable PME GPU on Apple OpenCL
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2019-05-29
Szilárd Páll
Template x buffer ops call on whether GPU is used
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2019-05-23
Szilárd Páll
Fix mulitple link refs in dev-manual
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2019-05-20
Szilárd Páll
Improve X buffer ops kernel
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2019-04-25
Szilárd Páll
Fix clang warning about NULL use
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2019-04-25
Szilárd Páll
Avoid using AtomLocality::Count as a valid value
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2019-04-24
Szilárd Páll
Fix CUDA fallback shmem gather reduction
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2019-04-18
Szilárd Páll
Fix warnings & consolidate declarations
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2019-04-16
Szilárd Páll
Move functions operating on enerdata out of force.cpp
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2019-04-16
Szilárd Páll
Remove "coarse load balancing vars" from forcerec
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2019-04-16
Szilárd Páll
Group scheme related cleanup
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2019-04-16
Szilárd Páll
Remove Group scheme neighbor search wrapper
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2019-04-15
Szilárd Páll
Add user guide note on AVX512 throttle in GPU runs
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2019-04-05
Szilárd Páll
Revert "Temporarily disable ARM HPC compiler in post...
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2019-04-05
Szilárd Páll
Revert "Temporarily disable ARM HPC compiler in post...
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2019-04-02
Szilárd Páll
Temporarily disable ARM HPC compiler in post-submit
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2019-04-02
Szilárd Páll
Temporarily disable ARM HPC compiler in post-submit
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2019-03-28
Szilárd Páll
Better document GMX_OPENMP_MAX_THREADS
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2019-03-26
Szilárd Páll
Skip PBC calculation when there are no listed forces
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2019-03-26
Szilárd Páll
do_force_cutsVERLET cleanup
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2019-03-21
Szilárd Páll
Reorder PBC setup in do_force_lowlevel
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2019-03-13
Szilárd Páll
Reorganize search-time code in do_force_cutsVERLET
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2019-03-13
Szilárd Páll
Add haveGpuBondedWork flag to PpForceWorkload
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2019-03-13
Szilárd Páll
Start modularizing force workload setup
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2019-03-05
Szilárd Páll
Relax OpenCL gather kernel barrier on AMD
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2019-03-02
Szilárd Páll
Encapsulate force output setup in do_force_*
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2019-03-01
Szilárd Páll
Clarify force buffer setup code in do_force
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2019-02-19
Szilárd Páll
Disable instruction fusion on Power8
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2019-02-17
Szilárd Páll
Improve GPU target compatibility error message
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2019-02-15
Szilárd Páll
Extend GpuEventSynchronizer to allow on-device sync
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2019-02-15
Szilárd Páll
Extend performance considerations on bonded offload
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2019-02-13
Szilárd Páll
Disable instruction fusion on Power8
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2019-02-13
Szilárd Páll
Minor refactoring in mdrunnner
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2019-02-12
Szilárd Páll
Minor refactor of gpuid / task mapping parsing
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2019-02-07
Szilárd Páll
Require a 64-bit platform for OpenCL
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2019-01-30
Szilárd Páll
Fix double-increment of GPU NB launch subcounter
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2019-01-21
Szilárd Páll
Add CUDA CC 7.5 (Turing) support with nvcc
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2019-01-04
Szilárd Páll
Fix formatting warning
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2019-01-02
Szilárd Páll
Fix clang 6 warning
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2019-01-02
Szilárd Páll
Do not whitelist the use of OpenCL 1.1 API
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2018-12-31
Szilárd Páll
Fix release notes typo
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2018-12-31
Szilárd Páll
Add CUDA CC 7.5 (Turing) support with nvcc
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2018-12-27
Szilárd Páll
Use std::swap in LINCS
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2018-12-22
Szilárd Páll
Runtime check of device OpenCL support
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2018-12-21
Szilárd Páll
Make jenkins own-fftw verify use local tarball
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