37f22c8627
Misc Improvements to GPU Package
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- 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
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
1aa8b64283
convert GPU package styles to use new neighbor list request API
2022-03-08 04:37:46 -05:00
a06c4767a0
Merge branch 'upstream' into gpu-newton-pair-on
2021-11-20 08:30:39 -06:00
766f975b74
Removed the newton checks in the gpu pair styles; reverted to mixed precision in Makefile.cuda
2021-11-13 07:00:12 -06:00
8b36061db4
replace MPI_Wtime() with platform::walltime()
2021-10-05 22:53:39 -04:00
12406b90a1
more iwyu header updates
2021-09-18 21:24:01 -04:00
0904ffa813
Enabled newton pair on for gpu pair styles
2021-08-06 01:11:31 -05:00
76a472d8b8
Merge pull request #2640 from ndtrung81/eam-gpu
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Fixing bugs on eam*/gpu for pair hybrid with neigh yes, where the gpu…
2021-05-27 12:11:13 -04:00
09c19a936b
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
7a17780a82
consistently check for newton pair off and align error message rest of LAMMPS
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also add checks for required charge property for pair styles with coulomb
2021-05-22 13:17:58 -04:00
8dad40ea49
apply clang-format
2021-05-12 00:17:12 -04:00
5cc3f88fcf
changed author
2021-05-12 00:57:41 +03:00
d3186b74f7
updated
2021-05-12 00:14:27 +03:00
ca88f97a4b
added acceleration of lj/smooth on gpu
2021-03-12 01:40:52 +03:00
e32d059d26
lj/smooth/gpu
2021-03-06 23:43:25 +03:00
0a06b90b53
template for smooth/spu
2021-02-17 15:33:28 +03:00
