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df882a9552
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Adding optional size arg for forward/reverse comm methods to Kokkos
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2024-10-31 15:27:22 -06:00 |
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8695351e24
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Merge branch 'alphataubio-kokkos-fixes' of https://github.com/alphataubio/lammps-alphataubio into alphataubio-kokkos-fixes
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2024-10-30 21:59:05 -04:00 |
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22d08cbac0
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whitespace
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2024-10-30 21:58:50 -04:00 |
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c057b36c15
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Merge branch 'develop' into alphataubio-kokkos-fixes
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2024-10-30 21:50:36 -04:00 |
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9aa9e7079a
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cleanup
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2024-10-30 21:44:27 -04:00 |
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84e234921b
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fix cuda warning
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2024-10-30 21:36:18 -04:00 |
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41672f6ac9
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this might work on cuda
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2024-10-30 20:44:25 -04:00 |
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5efd8ba11e
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run the Kokkos regression workflow after merge, not every push
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2024-10-30 11:27:15 -05:00 |
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50dd95e6e1
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move d_ubuf to kokkos_type.h
https://matsci.org/t/a-few-kokkos-development-questions/56598/8 (Q11)
"More correct would be to use a union with ubuf as is done in the atom_vec styles, so that no precision is lost for converting a huge 64-bit integer to a double."
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2024-10-30 11:32:24 -04:00 |
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3fd4f9b7f3
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Minor clean ups to BPM bonds
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2024-10-30 08:56:07 -06:00 |
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9e25c8610c
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Merge branch 'develop' into rheo
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2024-10-30 08:24:54 -06:00 |
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e1f14e1ee8
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unifying comm for/rev method args
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2024-10-30 08:02:35 -06:00 |
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acebce0431
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turn off verbose, reduce timeout
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2024-10-29 23:07:35 -05:00 |
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47e9a7fe79
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Typo + style changes in rheo doc
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2024-10-29 21:03:47 -06:00 |
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6d634dc646
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Merge pull request #4359 from jtclemm/BPM
Adding new force options to BPM package
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2024-10-29 21:31:03 -04:00 |
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0e1137aee7
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add inertia()
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2024-10-29 18:34:30 -04:00 |
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08e460ece6
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Update fix_cmap_kokkos.cpp
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2024-10-29 14:09:48 -04:00 |
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ae4cb00402
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Update fix_cmap_kokkos.cpp
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2024-10-29 14:09:11 -04:00 |
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c17e2cd30d
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Update fix_cmap_kokkos.cpp
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2024-10-29 13:58:13 -04:00 |
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452ae4621d
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Update fix_cmap_kokkos.cpp
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2024-10-29 13:29:48 -04:00 |
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4941cf25c0
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typo
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2024-10-29 12:59:09 -04:00 |
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586f2b626d
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Update fix_cmap_kokkos.cpp
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2024-10-29 11:13:36 -04:00 |
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a6ad1a837c
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Update fix_cmap_kokkos.cpp
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2024-10-28 18:55:59 -04:00 |
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97c6b063a7
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Update fix_cmap_kokkos.cpp
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2024-10-28 18:41:04 -04:00 |
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7ffe6aefce
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Update fix_cmap_kokkos.cpp
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2024-10-28 18:37:21 -04:00 |
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e4a9b06320
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Update fix_cmap_kokkos.cpp
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2024-10-28 17:47:57 -04:00 |
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c00700dec7
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cuda sync
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2024-10-28 15:30:14 -04:00 |
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ef1148dfa0
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remove write_data support from BPM bond styles again and consolidate names
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2024-10-27 22:06:56 -04:00 |
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b946e998b5
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also split fix into 2 lists, using 6 jobs for the matrix strategy
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2024-10-27 12:13:29 -05:00 |
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dd0dfd3c7f
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split randomly the pair input list by batch size
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2024-10-27 00:00:10 -05:00 |
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67d1c7d17d
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set OMP_PROC_BIND=false and adjust timeout
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2024-10-26 09:01:39 -05:00 |
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b725c01c0d
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split pair list into 2 separate lists and use 5 jobs for more even time balancing
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2024-10-25 23:22:25 -05:00 |
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12f0eff7a6
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make group kokkos aware
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2024-10-25 20:06:13 -04:00 |
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71bbc52feb
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recommit changes from @stanmoore1
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2024-10-25 20:03:45 -04:00 |
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ea7fd079ce
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add vcm() and angmom()
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2024-10-25 19:14:20 -04:00 |
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e91b5dce78
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fix typos
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2024-10-25 18:52:50 -04:00 |
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e0c3022ec3
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printf debugging
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2024-10-25 14:55:51 -04:00 |
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6d0e633edf
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Merge pull request #4352 from ndtrung81/regression-test-update
Add a KOKKOS workflow for GitHub actions and minor updates for the regression tester
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2024-10-25 11:06:33 -04:00 |
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a5ab8be0a2
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Clarify restriction on periodic cell dimensions
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2024-10-25 14:16:25 +01:00 |
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e1a129fbf2
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Merge branch 'alphataubio-kokkos-fixes' of https://github.com/alphataubio/lammps-alphataubio into alphataubio-kokkos-fixes
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2024-10-24 12:20:14 -04:00 |
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ce830fcdbd
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Update fix_cmap_kokkos.cpp
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2024-10-24 12:20:02 -04:00 |
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56ac4aeedf
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Merge branch 'develop' into alphataubio-kokkos-fixes
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2024-10-24 12:12:12 -04:00 |
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00ff895c0d
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Update fix_cmap_kokkos.cpp
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2024-10-24 12:11:12 -04:00 |
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e04be85b7e
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Merge branch 'alphataubio-kokkos-fixes' of https://github.com/alphataubio/lammps-alphataubio into alphataubio-kokkos-fixes
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2024-10-24 12:07:42 -04:00 |
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4a64b3d9ce
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add d_exchange_sendlist to pack_exchange_kokkos()
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2024-10-24 12:04:41 -04:00 |
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f18850397d
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whitespace
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2024-10-24 09:43:36 -06:00 |
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f09a9c1c2a
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fix typo in cmake command
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2024-10-24 10:26:18 -05:00 |
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25eaf38cee
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use the kokkos-openmp preset for brevity
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2024-10-24 10:18:59 -05:00 |
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a844959a07
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Combine into a single -Xcudafe flag to simplify everything
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2024-10-23 23:00:17 -06:00 |
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3041443e5f
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Merge pull request #4357 from akohlmey/collected-small-changes
Collected small changes and fixes
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2024-10-23 23:25:26 -04:00 |
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