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
8af6e58a7f
Fixed a bug with the eam kernel for screening out pairs that are excluded by the pair style (when eam is a sub-style in pair hybrid)
2021-05-19 10:56:51 -05:00
efd6f7b2d0
Fixed issue with accessing type2frho array in eam energy kernels
2021-05-04 23:12:55 -05:00
d5c3e1786a
Fixing bugs on eam*/gpu for pair hybrid with neigh yes, where the gpu pair style eam is used for only a subset of the pair types. eam being the first substyle works correctly, but otherwise will give incorrect forces
2021-03-02 13:05:37 -06:00
e7e2d2323b
Feb2021 GPU Package Update - GPU Package Files
2021-02-15 08:20:50 -08:00
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
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
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
402d1a8605
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10667 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-08-23 14:41:20 +00:00
209999068c
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8810 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-09-21 15:57:23 +00:00
31551d81fd
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8693 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-08-21 13:57:32 +00:00
6b1774dc20
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7575 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-01-25 15:31:54 +00:00
