37f22c8627
Misc Improvements to GPU Package
...
- Optimizations for molecular systems
- Improved kernel performance and greater CPU overlap
- Reduced GPU to CPU communications for discrete devices
- Switch classic Intel makefiles to use LLVM-based compilers
- Prefetch optimizations supported for OpenCL
- Optimized data repack for quaternions
2023-03-05 21:03:12 -08:00
83beffbb9f
whitespace
2022-02-13 17:08:18 -05:00
193dea6327
Updated the comment to be precise on the case
2022-02-13 14:51:00 -06:00
159f107abd
Corrected the added comment
2022-02-13 11:16:01 -06:00
bae4e45978
Added a comment to the added check while looping over the neighbors of ghost atoms
2022-02-13 09:17:05 -06:00
55a500cf8a
Fixed bugs with in the kernel sw_three_end kernel
2022-02-13 00:42:26 -06:00
e7e2d2323b
Feb2021 GPU Package Update - GPU Package Files
2021-02-15 08:20:50 -08:00
adacc7f2a4
Similar bug fixes for tersoff/mod/gpu and tersoff/zbl/gpu; some cleanup for sw/gpu
2020-07-04 19:08:55 -05:00
d53e468ce0
do not mix c++ style and c-style comments
2020-04-26 22:50:24 -04:00
66c5fa2abd
Merge 'gpu_hip_port' into master
2020-01-28 20:35:08 +03:00
d71e037c23
Renamed dev_acc to dev_ilist for better description and updated the 3-body styles accordingly; also fixed bugs with accessing dev_packed from the three_end kernel of tersoff/mod and tersoff/zbl gpu styles for OpenCL builds
2018-07-22 11:27:14 -05:00
dbc60d949f
Fixed OpenCL compilation issues with __global keywords
2017-09-06 15:08:02 +02:00
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
68206079da
Supported short neighbor lists for 3-body kernels in sw/gpu and vashishta/gpu
2017-07-07 16:47:24 -05:00
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
67a4004f23
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14807 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-04-07 21:05:19 +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
c7303a1c1d
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14001 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-09-08 14:13:03 +00:00
7510ec7960
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12655 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-10-29 15:47:24 +00:00
99f44f64cc
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11842 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-04-29 23:10:42 +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
bbffbe06a2
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11230 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-01-13 15:51:54 +00:00
205833eaad
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10669 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-08-23 14:46:25 +00:00
