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6de66b1140
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fix whitespace issues
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2020-03-27 19:12:10 -04:00 |
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686a2c7a43
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Support host execution
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2020-03-27 15:19:40 -06:00 |
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1861c0f8ec
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Fix deprecated Kokkos code issue
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2020-03-27 12:20:13 -06:00 |
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e809bf6566
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Fix merge issue
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2020-03-27 11:08:20 -06:00 |
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f7cfaec57d
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Fix team_size issue in comm_kokkos
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2020-03-27 10:18:33 -06:00 |
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6b6dd07414
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Fix runtime issues with pair_exp6_rx_kokkos
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2020-03-26 17:12:08 -06:00 |
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7a5f73137a
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Fix runtime issues with Kokkos vatom
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2020-03-26 16:21:06 -06:00 |
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b54697efb8
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Fix runtime issue in atom_vec_sphere_kokko
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2020-03-26 15:56:58 -06:00 |
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5c0f027464
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Fix team_size issue in comm_kokkos
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2020-03-26 15:32:45 -06:00 |
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f6a107c448
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Fix team_size issues in pair_snap_kokkos
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2020-03-26 15:29:01 -06:00 |
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36b826348b
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Fix compile issues with Kokkos
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2020-03-25 16:12:37 -06:00 |
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0252d8c210
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Fix compile for UVM
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2020-03-25 13:58:20 -06:00 |
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e298978da0
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Change Kokkos::Impl to std namespace
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2020-03-25 13:58:12 -06:00 |
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1e7e9369da
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Fix runtime error in Kokkos package
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2020-03-25 13:56:07 -06:00 |
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4eebcdfc0d
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Fix runtime issue in Kokkos
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2020-03-25 13:55:51 -06:00 |
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7a09636f9a
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Fix compile issue in pair_kokkos.h
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2020-03-25 13:55:40 -06:00 |
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299f79c919
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Remove deprecated Kokkos code
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2020-03-25 13:55:31 -06:00 |
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398c030925
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whitespace cleanup
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2020-03-25 06:52:37 -04:00 |
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5fa99cb072
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Comment cleanup
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2020-03-23 21:33:11 -06:00 |
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387c2d0507
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Cleaned up comment.
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2020-03-23 23:31:12 -04:00 |
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36095bbfdf
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Tweak comment
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2020-03-23 21:15:00 -06:00 |
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bcfc606efb
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SNAP optimizations, kernel fusion, large reduction of memory usage on the GPU, misc. performance optimizations.
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2020-03-23 13:20:56 -07:00 |
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649a8cc01a
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Fix typo
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2020-03-14 13:57:48 +09:00 |
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e9f5b8246a
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whitespace fixes
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2020-03-10 15:18:00 -04:00 |
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9d7b15631d
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Add contributing author
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2020-03-10 09:20:54 -06:00 |
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4e31d622ce
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Whitespace and comment cleanup
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2020-03-10 09:11:29 -06:00 |
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cd61cfe8c7
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SNAP optimizations, taking advantage of improved data layouts, scratch memory, and hierarchical parallelism.
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2020-03-03 13:02:04 -05:00 |
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49b07a2360
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Keep original chunksize value set by user in case atom count changes
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2020-02-26 09:42:59 -07:00 |
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1b7a8d8875
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Make Kokkos pair_snap chunksize user-settable
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2020-02-24 12:53:01 -07:00 |
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6369ab230e
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make inclusion guard defines consistent with LAMMPS and avoid redefinition of MAX()
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2020-01-30 16:56:02 -05:00 |
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9fade740fb
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Fix issue with Kokkos FFT_CUFFT
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2020-01-30 13:27:36 -07:00 |
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a50563d582
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Fix issue with Kokkos FFTW3
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2020-01-30 13:03:15 -07:00 |
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4ea9dea19c
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More Kokkos FFT refactor
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2020-01-30 12:04:57 -07:00 |
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ef30d0ed7b
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Add missing endif
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2020-01-29 17:32:25 -07:00 |
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f8e2543c44
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Move FFT data types out of kokkos_type.h
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2020-01-29 17:15:47 -07:00 |
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1851a9f7d4
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Refactor Kokkos FFT_DATA
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2020-01-29 16:21:33 -07:00 |
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0d0c5e2961
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make KOKKOS and KSPACE FFT3d code more consistent and remove redundant code
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2020-01-29 16:37:29 -05:00 |
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795f2fd894
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properly support threaded FFTs with MKL and document it. remove commented out FFTW2 code
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2020-01-27 11:00:57 -05:00 |
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669980388a
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Merge branch 'fft' of ssh://github.com/stanmoore1/lammps into fft
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2020-01-24 14:33:31 -07:00 |
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76aaf16c66
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Add check for FFT_FFTW_THREADS and turn off MKL threads for now
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2020-01-24 14:30:11 -07:00 |
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df23460e18
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Merge branch 'master' into fft
# Conflicts:
# src/MAKE/OPTIONS/Makefile.kokkos_cuda_mpi
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2020-01-23 00:22:38 -05:00 |
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949d7608ba
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Merge pull request #1811 from brycelelbach/bug/missing_execution_space_qualifiers
Fix mismatches in CUDA execution space qualifiers between declarations and definitions.
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2020-01-22 17:10:11 -05:00 |
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5488efbc03
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fix typo, update maintainer.
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2020-01-22 17:00:10 -05:00 |
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70731468df
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include "pppm.h" last so that necessary KOKKOS config define is available
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2020-01-22 16:32:32 -05:00 |
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70b9a060dc
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add missing #endif
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2020-01-22 15:26:34 -05:00 |
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9a27aa4e9e
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Merge branch 'master' into fft
# Conflicts:
# src/MAKE/OPTIONS/Makefile.kokkos_cuda_mpi
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2020-01-22 15:21:08 -05:00 |
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dfda8b5ce6
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fix up LMP_FFT_LIB for reporting FFT lib in use for KOKKOS with CUDA logic
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2020-01-22 15:18:59 -05:00 |
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b29ffabe56
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move two_charge_force calc to occur at init, not constructor
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2020-01-21 14:24:55 -07:00 |
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2d28e9fa2e
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check for FFT_FFTW_THREADS may only run when CUDA is not enabled
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2020-01-13 12:08:46 -05:00 |
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206aa77532
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fix one more whitespace issue
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2020-01-13 11:22:42 -05:00 |
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