531e553162
Merge branch 'amoeba' into amoeba-gpu
2022-04-22 16:10:24 -05:00
537e3f2539
silence compiler warnings
2022-02-17 23:13:13 -05:00
3825fee8e9
Added work on amoeba/gpu, some minor changes to PairAmoeba to allow function overriding in PairAmoebaGPU, added the package AMOEBA to cmake/CMakeLists.txt
2021-08-25 22:57:37 -05:00
0632922a9b
Explicitly check for subgroup support instead of CL version
2021-04-22 12:54:13 -04:00
e7e2d2323b
Feb2021 GPU Package Update - GPU Package Files
2021-02-15 08:20:50 -08:00
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
e119bffcca
Fixed bugs with kernel (re)compiling when the global device got cleared and then reinitialized
2019-10-31 01:15:53 -05:00
dfbee32575
Fixing issues with growing memory allocation with multiple init calls
2019-10-19 23:35:52 -05:00
e832b5d50b
make clang++ happy when trying to compile the GPU library
2019-07-12 15:42:16 -04:00
1f43efc111
Cleaned up the changes in Device and the base class of the pair styles
2019-04-17 00:09:49 -05:00
c55009a0ac
Enabled neighbor list build on the device with pair_style hybrid and hybrid/overlay
2019-04-16 23:30:25 -05:00
a71f5a0c20
Enabled again neigh no with tpa > 1 for 3-body gpu styles for backward compatibility, could be slower than neigh no tpa 1 in many cases
2017-07-22 22:57:37 -05:00
3d1d0c58c7
Cleaned up 3-body gpu styles, and fixed a bug for tersoff/zbl/gpu.
...
There is a unresolved bug for neigh no with tpa > 1 with BaseThree, enforce tpa = 1 for neigh no in BaseThree for now.
2017-07-21 12:08:04 -05:00
ea2b01e83b
Refactored 3-body gpu styles to remove code duplication
2017-07-08 20:17:31 -05:00
68206079da
Supported short neighbor lists for 3-body kernels in sw/gpu and vashishta/gpu
2017-07-07 16:47:24 -05:00
34f829c5ac
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15261 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-07-05 14:41:13 +00:00
9656958169
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15248 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-07-01 23:27:26 +00:00
f6c76f4623
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14265 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-11-18 18:23:45 +00:00
21f8abda24
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13906 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-08-19 15:15:32 +00:00
28194a14eb
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11335 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-01-25 23:53:12 +00:00
22751a2aae
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10668 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-08-23 14:46:18 +00:00
