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Make stepWorkload.useGpuXBufferOps flag consistent
2018-12-20
Szilárd Páll
Merge "Merge branch release-2018 into release-2019...
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2018-12-18
Szilárd Páll
Merge release-2019 branch into master
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2018-12-18
Berk Hess
Use std::vector in LINCS
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2018-12-17
Szilárd Páll
Fix GMX_BUILD_OWN_FFTW_URL CMake cache entry type
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2018-12-17
Paul Bauer
Add matrix entry to test external FFTW build
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2018-12-17
Paul Bauer
Fix FFTW build
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2018-12-13
Szilárd Páll
Avoid spurious timing in bonded GPU launch subcounter
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2018-11-26
Mark Abraham
Clean up initial log output
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2018-11-22
Mark Abraham
Introduce PpForceWorkload
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2018-11-07
Szilárd Páll
Re-enable the armclang post-submit build
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2018-11-07
Mark Abraham
Suppress clang warnings about QMMM code
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2018-11-01
Mark Abraham
Stop using hwloc on old ARM slave
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2018-10-31
Berk Hess
Pin important buffers in CUDA bondeds
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2018-10-22
Mark Abraham
Fix clang CUDA warnings
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2018-10-14
Szilárd Páll
Fix more clang-6 warnings in CUDA code
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2018-10-08
Roland Schulz
Fix OCL compiler warnings
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2018-10-08
Roland Schulz
Remove majority of OCL command line constants
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2018-10-07
Szilárd Páll
Use new GPU slave for AMD OpenCL verify runs
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2018-10-05
Roland Schulz
Fix multiple bugs detected on Windows
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2018-10-04
Roland Schulz
Use subgroup for warp_any and CJ4 prefetch
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2018-10-04
Mark Abraham
Replace CUDA call deprecated in CUDA 10
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2018-09-27
Roland Schulz
Recognize Intel GPU as compatible
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2018-09-13
Roland Schulz
Remove sparc64_hpc_ace nonbonded kernels
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2018-09-07
Mark Abraham
Minor fixes to GPU build system
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2018-08-27
Aleksei Iupinov
Prepare pme-gpu-types.h for OpenCL
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2018-08-21
Szilárd Páll
Request flushing denorms to zero in OpenCL
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2018-06-25
Aleksei Iupinov
Move vectype_ops.clh into gpu_utils
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2018-06-25
Aleksei Iupinov
Move the PME GPU kernel launch functions into pme-gpu...
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2018-05-31
Aleksei Iupinov
PME OpenCL 3D FFT transform is implemented, using clFFT
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2018-05-30
Aleksei Iupinov
Make PME GPU structures use DeviceBuffer
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2018-05-29
Szilárd Páll
Switch to CUDA 9.2 + gcc 7
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2018-04-20
Szilárd Páll
Minor fix for pre-submit matrix docs
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2018-04-19
Szilárd Páll
Move the PME GPU clearing to the end of the step
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2018-04-18
Mark Abraham
Introduce gmx_used_in_debug
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2018-04-13
Szilárd Páll
Use trivalue option for GMX_HWLOC
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2018-03-20
Vedran Miletić
Document matrix_convert function in PBC
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2018-03-12
Szilárd Páll
Avoid icc-specific -march=core-avx2 flag with gcc/clang
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2018-03-06
Szilárd Páll
Extend "Finding out how to run mdrun better" section
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2018-03-06
Aleksei Iupinov
Isolate PME GPU spline parameter indexing in inline...
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2018-03-05
Aleksei Iupinov
Stop using custom FindOpenCL.cmake, per TODO
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2018-03-05
Aleksei Iupinov
Correct the nbnxn_gpu_compile_kernels() docs
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2018-02-21
Szilárd Páll
Switch pre-submit CUDA 8.0 test to 9.0
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2018-02-20
Szilárd Páll
Avoid aborting mdrun when GPU sanity check detects...
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2018-02-18
Aleksei Iupinov
Replace *_free_buffered calls by freeDeviceBuffer
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2018-02-15
Aleksei Iupinov
Add freeDeviceBuffer GPU utility function
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2018-01-18
Mark Abraham
Bump version numbers for 2019 development
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2017-11-27
Berk Hess
Enable auto thread pinning with thread limiting
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2017-11-16
Berk Hess
Also print 1x1 pair-list setup to log
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2017-11-07
Szilárd Páll
Use -mavx2 -mfma instead of -march with AVX2
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2017-11-07
Szilárd Páll
Merge common nbnxn CUDA/OpenCL GPU wait code-paths
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2017-10-19
Szilárd Páll
Disable OpenMP with clang 3.4 post-submit config
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2017-10-12
Szilárd Páll
Remove the size_t from the PME gather CUDA kenels
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2017-10-03
Szilárd Páll
Enable compiling CUDA device code with clang
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2017-10-03
Berk Hess
Move calling of special force functions
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2017-08-29
Szilárd Páll
Fix typo and tweak env var docs
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2017-08-29
Berk Hess
Set default GMX_OPENMP_MAX_THREADS to 64
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2017-07-19
Mark Abraham
Made post-submit config to test clang+openmp.
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2017-07-09
Berk Hess
Restructure the load balancing timing
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2017-05-22
Roland Schulz
Remove TMPI_ATOMICS from config.h
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2017-03-29
Szilárd Páll
Refactor CUDA kernel use of tables
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2017-03-17
Szilárd Páll
Allow bypassing OpenCL device compatibility check
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2017-01-30
Mark Abraham
Fix multi-domain reruns
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2017-01-05
Berk Hess
Fix flat-bottom position restraints + DD + OpenMP
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2016-12-01
Mark Abraham
Add INSTALL-dev to aid people doing unusual builds
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2016-12-01
Aleksei Iupinov
Move GPU assignment functions into a separate file
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2016-11-17
Szilárd Páll
Correct kernel launch bounds for CUDA sm_60
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2016-11-01
Szilárd Páll
Merge "Merge branch release-2016"
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2016-10-26
Szilárd Páll
Add GMX_DISABLE_GPU_TIMING env var
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2016-10-09
Szilárd Páll
Correct kernel launch bounds for CUDA sm_60
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2016-09-22
Berk Hess
Fix gcc warning in AlignedAllocator
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2016-08-24
Mark Abraham
Remove hacks for outdated BlueGene support
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2016-07-05
Szilárd Páll
Document GMX_GPU_APPLICATION_CLOCKS
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2016-06-08
Mark Abraham
Merge branch release-5-1 into release-2016
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2016-06-03
Vedran Miletić
Write OpenCL build log prior to checking build status
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2016-05-10
Berk Hess
Fix CUDA shmem bug
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2016-05-06
Berk Hess
OpenMP parallelization for pull
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2016-04-26
Vedran Miletić
Disable CUDA profiler when using OpenCL
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2016-04-26
Szilárd Páll
Fix OpenCL assertion
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2016-04-13
Szilárd Páll
Spelling fixes
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2016-04-13
Szilárd Páll
Do not create empty man/man7 directory
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2016-04-04
Szilárd Páll
Mark more variables as advanced
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2016-03-31
Szilárd Páll
Fix multiple tMPI ranks per OpenCL device
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2016-03-22
Berk Hess
Avoid assertion failure in pme_loadbal_do
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2016-03-05
Mark Abraham
Add SETTLE unit tests
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2016-02-17
Szilárd Páll
reintroduce supercl interaction mask constant
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2016-02-17
Szilárd Páll
change macros to constants in GPU code
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2016-02-15
Szilárd Páll
Allow GMX_NB_MIN_CI=0 to be passed
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2016-02-11
Szilárd Páll
Re-enable LJ-PME + Lorentz-Berthelot on GPUs
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2016-02-06
Szilard Pall
Use cudaLaunchKernel with CUDA 7.0 and later
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2016-01-20
Szilárd Páll
Merge remote-tracking branch 'origin/release-5-1' into...
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2016-01-05
Szilard Pall
remove duplicate macros and enable Wundef in CUDA
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2015-11-01
Szilard Pall
Fix bug in cycle subcounter management
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2015-03-11
Berk Hess
Reduced cost of Berendsen pressure coupling
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2015-01-16
Szilard Pall
Improve and clarify mdrun behavior with nsteps<0
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2014-09-26
Szilárd Páll
Fix incorrect assertion statement
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2014-09-09
Szilárd Páll
Fix malformed CUDA version macro check
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2014-07-27
Roland Schulz
Remove individual cuda libraries
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2014-06-17
Berk Hess
Updated mdrun -npme documentation
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2014-05-24
Rossen Apostolov
Allow trjconv to keep some box dimensions unchanged.
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2014-02-28
Szilard Pall
Improved CUDA non-bonded kernel performance
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