27da716852
getting out of the insurance business :-)
2023-01-23 16:45:41 -05:00
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
cccf3f6f78
change email for contacting LAMMPS developers, add to homepage checker
2022-10-20 20:36:03 -04:00
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
679f1e83a4
More cleanup
2020-12-22 13:49:21 -07:00
6f852e7b2c
Remove 'host' option for Kokkos pair and fix comm
2020-12-22 12:55:44 -07:00
271cbad787
Remove redundant code
2020-12-22 11:58:32 -07:00
8efd1c93ec
Add more granular control of Kokkos pair and fix comm
2020-12-22 09:19:01 -07:00
22a804e634
Fix memory issue
2020-10-27 12:25:27 -06:00
e2ab5f1ce9
Fix race condition in Kokkos pair and fix forward comm
2020-10-27 09:31:19 -06:00
e804235d23
Add Kokkos support for fix shake and forward comm on Device
2020-10-22 11:59:41 -06:00
adf74b3a22
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
7bf177a1c7
Fast forward porting work to master
...
Change-Id: Ieb428e4a001efadf880dbe2c64c2a685cebdd4ae
2020-09-17 10:45:04 -05:00
0f6a34775c
Merge branch 'master' into symbolic-atom-constants
2020-09-15 17:44:31 -04:00
f1ef7d85a8
T2345: Replace instances of NULL with nullptr
...
The following changes have been applied to src and lib folders:
regex replace: ([^"_])NULL ⇒ \1nullptr (8968 chgs in src, 1153 in lib)
Manually find/change: (void \*) nullptr ⇒ nullptr (1 case)
regex find: ".*?nullptr.*?"
Manually ~14 cases back to "NULL" in src, ~2 in lib
regex finds a few false positive where nullptr appears between two
strings in a function call
2020-09-12 09:34:38 -06:00
9d0c3bc665
replace some numeric constants in Atom and AtomVec classes with enumerators
2020-09-11 19:07:55 -04:00
f67bd8eb5d
more KOKKOS, USER-OMP, and USER-INTEL include file cleanup
2020-09-03 10:54:06 -04:00
f0e36c74a8
silence more signedness comparison warnings
2020-08-15 18:10:13 -04:00
6778489247
silence a whole bunch more compiler warnings
2020-08-13 16:26:50 -04:00
4157ab3bd3
silence compiler warnings about unused parameters
2020-08-13 11:11:28 -04:00
686a2c7a43
Support host execution
2020-03-27 15:19:40 -06:00
f7cfaec57d
Fix team_size issue in comm_kokkos
2020-03-27 10:18:33 -06:00
5c0f027464
Fix team_size issue in comm_kokkos
2020-03-26 15:32:45 -06:00
299f79c919
Remove deprecated Kokkos code
2020-03-25 13:55:31 -06:00
649a8cc01a
Fix typo
2020-03-14 13:57:48 +09:00
b6b022b610
whitespace cleanup: remove trailing blanks
2019-11-03 11:03:39 -05:00
4400257783
Change GPU-direct to CUDA-aware MPI and add workaround for IBM Spectrum MPI
2019-07-24 12:10:57 -06:00
