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Merge remote-tracking branch 'origin/release-2019'
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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2019-09-18
Paul Bauer
Fix MSVC warning
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2019-09-17
Paul Bauer
Add deprecation note for 32 bit
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2019-09-16
Szilárd Páll
Refactor GPU buf ops-related launches in do_force()
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2019-09-13
Szilárd Páll
Fix GPU X buffer ops with empty domain
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2019-09-11
Artem Zhmurov
Decouple coordinates buffer management from buffer...
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2019-09-11
Artem Zhmurov
Reorganize PME code:
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2019-09-11
Szilárd Páll
Fix gpucomm matrix
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2019-09-06
Mark Abraham
Clean up commrec uniformly
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2019-09-04
Berk Hess
Collect settings for DD in DDSettings
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2019-09-03
Berk Hess
Remove gmx_domdec_t from dd_choose_grid()
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2019-09-03
Berk Hess
Extact UnitCellInfo from gmx_domdec_t
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2019-09-02
Mark Abraham
Move initialization of clFFT
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2019-08-26
Mark Abraham
Converted a CUDA config to use clang host-only compilation
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2019-08-23
Szilárd Páll
Fix clang tidy warnings in CUDA build
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2019-08-21
Mark Abraham
Improve organization of LINCS reporting
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2019-08-15
Alan Gray
PME reduction for CUDA F buffer operations
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2019-08-12
Szilárd Páll
Fix hwloc find package naming and quietness issues
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2019-07-26
Berk Hess
Remove sh_invrc6 from interaction_const_t
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2019-07-19
Alan Gray
F buffer operations in CUDA
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2019-07-16
Mark Abraham
Add gpubufferops test matrix
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2019-07-11
Szilárd Páll
Use HostVector for Grid/GridSet data need on-GPU
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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
Alan Gray
Bug fix and simplification for CUDA X Buffer Ops
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2019-06-17
Berk Hess
Simplify GPU nbnxm x conversion
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2019-05-22
Alan Gray
Code quality improvements for CUDA position buffer ops
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2019-05-20
Szilárd Páll
Improve X buffer ops kernel
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2019-05-10
Alan Gray
Position buffer ops in CUDA
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2019-03-27
Berk Hess
Fix nbnxm OpenCL with cluster size 4
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2019-02-07
Szilárd Páll
Require a 64-bit platform for OpenCL
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2019-01-18
Mark Abraham
Improve nvcc error reporting
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2019-01-02
Szilárd Páll
Fix clang 6 warning
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2018-12-31
Szilárd Páll
Fix release notes typo
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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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