Commit Graph

136 Commits

Author SHA1 Message Date
189b08b4a5 Fix bug in some Kokkos fixes' unpack exchange on device 2024-01-17 14:47:59 -07:00
dc5619667f Fix bug in Kokkos ReaxFF on GPUs when border comm is on host 2023-08-22 11:26:12 -06:00
8ef4e933b2 Fix bug when Kokkos border comm is on host 2023-06-02 10:17:38 -06:00
806af5322e Kokkos package optimizations 2023-05-05 19:08:02 -06:00
96b696450c Fix GPU issues 2023-04-10 11:03:54 -06:00
0a5f523eae whitespace 2023-03-23 13:51:59 -06:00
1654b74fb6 Fix a few more issues 2023-03-23 13:38:31 -06:00
7587eaf763 Logic tweak 2023-03-22 19:58:57 -06:00
29a68c37c5 Refactor atom list fill to reduce GPU/CPU data transfer 2023-03-17 17:11:43 -06:00
5e4714b41e Fix some issues with new code in fix shake 2023-03-06 16:31:19 -07:00
b2c636af75 Another refactor, port fix shake 2023-03-03 15:04:44 -07:00
c2205266f0 Refactor FixWallGranKokkos 2023-03-02 09:48:01 -07:00
6d29e9209d Another refactor 2023-03-01 15:48:04 -07:00
0e6be96de1 cleanup 2023-02-24 16:07:22 -07:00
7548dc3e04 Another refactor 2023-02-23 17:19:14 -07:00
54a18be0ff More cleanup 2023-02-22 13:26:32 -07:00
f135771ddf Fix compile error 2023-02-10 14:11:21 -07:00
e80bfa4a95 Merge branch 'develop' of https://github.com/lammps/lammps into granular-kokkos 2023-02-10 11:41:52 -07:00
27da716852 getting out of the insurance business :-) 2023-01-23 16:45:41 -05:00
420606658b Merge branch 'develop' into granular-kokkos 2023-01-17 08:20:35 -07:00
77dea685b5 Small cleanup 2022-12-13 12:10:56 -07:00
6d8e7e1ece Refactor Kokkos AtomVec 2022-12-12 17:34:18 -07:00
2132b1d904 update developer reference text 2022-10-24 11:08:26 -04:00
20fd34a55c Fix swapped buffer 2022-10-21 21:13:05 -06:00
cccf3f6f78 change email for contacting LAMMPS developers, add to homepage checker 2022-10-20 20:36:03 -04:00
e73d27cfa4 Fix runtime error 2022-10-14 15:56:22 -06:00
76220727c8 Whitespace, etc. 2022-10-12 17:20:16 -06:00
ba468fffcc Update to latest develop, fix merge conflicts 2022-10-12 17:08:48 -06:00
91b98484ad modernize and simplify 2022-08-11 03:45:36 -04:00
ae7215037d Finish porting pair MEAM to Kokkos 2022-07-01 11:20:51 -06:00
9a1c994a8e Merge branch 'develop' into rename_comm_forw_rev
# Conflicts:
#	src/KOKKOS/comm_kokkos.cpp
#	src/KOKKOS/fix_qeq_reaxff_kokkos.cpp
2022-02-22 16:45:06 -05:00
de4a9f268e rename reverse communication calls 2022-02-21 21:18:28 -05:00
4c0192cae1 rename forward communication functions for pair, fix, compute, and dump 2022-02-21 21:15:10 -05:00
4d9409dda9 Whitespace 2022-02-21 15:45:03 -07:00
b8053e466b Remove unused header, whitespace 2021-12-15 15:12:55 -07:00
2663087861 Merge branch 'develop' of github.com:lammps/lammps into amd_hip_opt 2021-12-15 13:56:15 -07:00
fc64fca3d9 Whitespace 2021-12-10 13:34:38 -07:00
7625b9707b Update to latest upstream develop 2021-11-10 15:14:24 -07:00
0e639a2c5b Add missing Kokkos sync to host 2021-08-30 14:52:26 -06:00
a4c2bc13cf Add atom_map hash option for Kokkos package 2021-06-28 08:38:31 -06:00
09c19a936b update URLs in source code and manual 2021-05-24 14:18:20 -04:00
abcac33c63 cleanup rebase errors
Change-Id: Ib8e255fefcb17ff91bc0bfdfcb98e56d3387b9b2
2021-05-17 10:11:06 -04:00
1856b669be Apply patch from Stan to fix race in Reax
Change-Id: I372b5951cf0f5e3343c3c6283f01cf0b8c889a56
2021-05-14 15:56:38 -04:00
56a1cd12e5 fix for multi-GPU failure for reax
Change-Id: Ia261ff2f1158de2bd6ac2d83a15080f6b6253128
2021-05-14 15:55:54 -04:00
bcd4ab036c Implement forward device pack/unpack for fix/qeq/reax
Change-Id: I690a63f7ef467d3f1b39784ac97cab54ed7fb248
2021-05-14 15:35:51 -04:00
d1941392d3 disable clang-format for all existing .cpp files (for now) 2021-05-05 23:53:38 -04:00
ae3bcff4b6 Merge branch 'master' into collected-small-changes 2021-01-05 15:24:00 -05:00
382ade15fe more consistent formatting of for/while loops and if statements 2020-12-30 09:09:08 -05:00
06596683c7 Add back in param 2020-12-22 14:51:27 -07:00
4520ef16e3 Cleanup 2020-12-22 14:22:41 -07:00