74c5ca0996
move definition of struct containing double to avoid failure on Intel Xe GPU
2023-07-17 18:34:03 -04:00
92302d0f22
Merge branch 'develop' into mar2023_gpu_misc
2023-03-13 19:02:20 -04:00
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
646ef15d83
more consistent way to disable fast math for Intel OpenCL with double precision
2023-03-05 07:18:12 -05:00
912f046cd7
recover compilation of tersoff kernels with CUDA
2023-02-08 11:16:46 -05:00
30abe68c82
recover kernel failure for tersoff with mixed and single precision
2023-02-08 09:13:04 -05:00
3b4c873beb
another OpenCL bugfix attempt from Trung
2023-02-07 17:31:43 -05:00
93784f35e3
Added ucl_erfc to the opencl, cuda and hip backends; reverted to using erfc instead of approximation to ensure double-precision matches
2022-07-25 15:34:44 -05:00
91317b2879
Added changes to Atom and Device classes for allocation of extra fields and SBBITS15 and NEIGHMASK15
2021-08-26 09:33:20 -05:00
e7e2d2323b
Feb2021 GPU Package Update - GPU Package Files
2021-02-15 08:20:50 -08:00
93f14e9bba
Fix broken ASCII symbol in GPU package
2020-07-27 20:16:55 +03:00
66c5fa2abd
Merge 'gpu_hip_port' into master
2020-01-28 20:35:08 +03:00
6d60075d3b
GPU Package: Use __shfl_xor_sync starting with CUDA 9
2018-08-09 02:33:35 -04:00
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
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
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
c8624bc7eb
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9175 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-01-02 16:27:31 +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
0a85b18a46
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8027 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-04-19 19:30:59 +00:00
f3905bf229
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7989 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-03-28 22:10:48 +00:00
a242911efd
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7422 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-01-06 17:07:51 +00:00
4a2feb25b2
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7317 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-12-08 23:12:19 +00:00
2728aab0e5
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7283 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-12-02 16:11:02 +00:00
7837edd51f
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7281 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-12-02 16:02:36 +00:00
