80ef8656e8
remove some more dead code to silence compiler warnings
2024-01-20 23:11:20 -05:00
35a6bf0cac
silence compiler warning
2024-01-20 22:59:23 -05:00
48e83b2298
remove unused parameter and silence compiler warnings
2024-01-18 22:55:02 -05:00
991663feff
Avoid (harmless) errors when shutting down the GPU.
2024-01-18 22:42:32 -05:00
9c4597b5e9
more GPU package cleanup from Trung
2024-01-17 16:12:36 -05:00
6f0fab8b08
bugfix for pair style coul/slater/long/gpu from Trung
2024-01-15 12:29:05 -05:00
569c23a1e6
Fixed typo with the kernel names in lj/cut/coul/cut/soft
2023-12-12 22:54:50 -06:00
669782cd5f
Saved some exp operations
2023-12-11 21:26:12 -06:00
93f8ada8dc
Fixed ecoul issue with the coul/slater/long kernels
2023-12-11 21:21:31 -06:00
6e0e1dc44f
Fixed atom force issues with the coul/long/slater kernels
2023-12-11 17:10:43 -06:00
76bf35fa4d
Added -allow-unsupported-compiler to nvcc for both CMake and traditional CUDA builds
2023-12-10 14:42:27 -06:00
e727ec1eac
Fixed compiling bugs revealed by CUDA builds, removed unused variables
2023-12-09 16:46:10 -06:00
267e360bac
Fixed bugs with acquiring depsh from lib/gpu, updated the doc page
2023-12-09 15:39:54 -06:00
3830711dec
Added the GPU version of sph/heatconduction
2023-12-09 15:15:13 -06:00
54a6143e9e
Updated the doc pages for sph/lj/gpu and sph/taitwater/gpu
2023-12-08 14:27:00 -06:00
46a670889d
Added BaseSPH for sph pair styles, fixed bugs with per-type arrays
2023-12-08 14:09:39 -06:00
0f78afc66f
Added atom tag for dpd to work with tag and v
2023-12-08 00:20:53 -06:00
7fad795141
Added pair sph/taitwater/gpu in src/GPU
2023-12-08 00:10:01 -06:00
cad4c25750
Adding sph/taitwater in lib/gpu
2023-12-07 17:22:45 -06:00
6fe16c7606
Added pair style sph/lj/gpu in src/GPU, removed commented codes
2023-12-07 14:33:47 -06:00
fef28c9daa
Updated sph_lj kernels
2023-12-07 11:41:37 -06:00
379d3c8e20
Updated host_esph to extra data and cut to coeff
2023-12-07 11:06:17 -06:00
26c7358a84
Working on sph_lj kernels
2023-12-07 10:24:25 -06:00
1849df15e0
Removed unused member functions in edpd
2023-12-07 10:16:40 -06:00
0940793537
Updated the coul_soft and coul_long_soft kernels with forces as acctyp3
2023-12-07 09:23:49 -06:00
fe96d9f836
Added the GPU version of pair edpd and mdpd
2023-12-05 13:34:37 -06:00
086cf49a8c
Added the GPU version of coul/slater/long
2023-12-05 13:32:33 -06:00
9588ddabf6
Added the GPU versions of lj/cut/coul/cut/soft and lj/cut/coul/long/soft
2023-12-05 13:30:26 -06:00
2f415c8b62
bugfix for pair style dpd/gpu from Trung
2023-08-09 09:42:01 -04:00
021eeae860
add workaround for failing overhead estimation test on (Intel) GPUs that only support single precision
2023-07-18 13:24:11 -04:00
74c5ca0996
move definition of struct containing double to avoid failure on Intel Xe GPU
2023-07-17 18:34:03 -04:00
fa4a3a0622
using NBOR_PREFETCH=2 gives errors with Intel Xe GPUs set to 0
2023-07-17 18:33:21 -04:00
d27ab47ed9
for clarity
2023-07-17 18:32:18 -04:00
be2e437cec
use approximation for erfc() on OpenCL for Intel since the OpenCL version seems broken
2023-07-14 10:08:59 -04:00
620c60122a
should not use pow() for computing cube, use multiplication.
2023-07-14 10:08:09 -04:00
d6412dc97b
Attempted to resolve issues with switching from acctyp4 to acctyp3 in tep, fieldp since the changes in PR #3675 , noting some changes with Intel OCL PR #3663
2023-07-08 00:50:19 -05:00
f128de7dd0
Bugfix from @ndtrung81 for indexing bug when tallying per-atom Coulomb energy
2023-06-13 15:13:16 -04:00
fbded8d8f4
include fix from @ndtrung81
2023-04-13 20:06:35 -04:00
92302d0f22
Merge branch 'develop' into mar2023_gpu_misc
2023-03-13 19:02:20 -04:00
c96ac858bf
GPU Package: Adding JIT test for OpenCL prefetch support.
2023-03-07 21:43:19 -08:00
68ed9ec85e
Merge branch 'develop' into collected-small-changes
2023-03-07 19:39:26 -05:00
d7c783560a
GPU Package: Fixing out of bounds memory access issues with special kernel unroll optimizations.
2023-03-06 22:11:10 -08:00
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
f658a947c6
gpu: fix broken HIP code path
2023-03-05 19:35:32 -07:00
646ef15d83
more consistent way to disable fast math for Intel OpenCL with double precision
2023-03-05 07:18:12 -05:00
2aff321187
Revert "use sin(x+pi/2) instead of cos(x) on Intel OpenCL with double precision"
...
This reverts commit fa38047749
2023-03-05 07:04:20 -05:00
9cdb9283ca
another workaround for Intel GPU with OpenCL and double precision
2023-03-03 03:08:03 -05:00
fa38047749
use sin(x+pi/2) instead of cos(x) on Intel OpenCL with double precision
2023-03-02 18:47:34 -05:00
2ccfe635ce
Removed the outdated CUDA_PROXY flag, using CUDA_MPS_SUPPORT consistently in CMake and traditional builds
2023-03-01 16:38:50 -06:00
2511872823
Updated GPU.cmake and Makefile.cuda_mps to not error out with exclusive process mode with the CUDA MPS server in use
2023-02-28 00:41:47 -06:00
