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9ea57acf54
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pack4 cutoffs
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2024-06-05 11:40:24 +02:00 |
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b187001f38
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atom charge and dpd/slater cutoff passing
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2024-06-04 19:13:56 +02:00 |
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9b14a880dc
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charge pointer and corrections
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2024-05-31 17:07:22 +02:00 |
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fcdcf65995
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creation + working CPU
new pair style dpd/charged which is the combination of dpd and coul/slater/long
Working on CPU, GPU in progress
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2024-05-31 15:12:37 +02:00 |
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a13d53dd65
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disable references to cuFFT (which is not yet used)
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2024-03-28 16:14:44 -04:00 |
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6a28e8d5f6
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Fixed bugs with sph gpu pair styles
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2024-03-18 13:27:21 -05:00 |
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953e01d2c4
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Linux to Windows cross-compilation is only supported by CMake
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2024-02-09 03:44:01 -05:00 |
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031cef558e
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silence unused parameter warnings in the gpu lib tree
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2024-02-06 20:18:43 -05:00 |
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5ece2139e8
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remove tabs and trailing whitespace
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2024-01-21 10:02:41 -05:00 |
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795d6e4420
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silence some more compiler warnings in CUDA code
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2024-01-21 09:36:10 -05:00 |
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b8ba3da4e2
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silence a few more compiler warnings
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2024-01-21 00:35:36 -05:00 |
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80ef8656e8
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remove some more dead code to silence compiler warnings
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2024-01-20 23:11:20 -05:00 |
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35a6bf0cac
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silence compiler warning
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2024-01-20 22:59:23 -05:00 |
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48e83b2298
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remove unused parameter and silence compiler warnings
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2024-01-18 22:55:02 -05:00 |
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991663feff
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Avoid (harmless) errors when shutting down the GPU.
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2024-01-18 22:42:32 -05:00 |
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9c4597b5e9
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more GPU package cleanup from Trung
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2024-01-17 16:12:36 -05:00 |
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6f0fab8b08
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bugfix for pair style coul/slater/long/gpu from Trung
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2024-01-15 12:29:05 -05:00 |
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569c23a1e6
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Fixed typo with the kernel names in lj/cut/coul/cut/soft
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2023-12-12 22:54:50 -06:00 |
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669782cd5f
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Saved some exp operations
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2023-12-11 21:26:12 -06:00 |
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93f8ada8dc
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Fixed ecoul issue with the coul/slater/long kernels
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2023-12-11 21:21:31 -06:00 |
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6e0e1dc44f
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Fixed atom force issues with the coul/long/slater kernels
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2023-12-11 17:10:43 -06:00 |
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76bf35fa4d
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Added -allow-unsupported-compiler to nvcc for both CMake and traditional CUDA builds
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2023-12-10 14:42:27 -06:00 |
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e727ec1eac
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Fixed compiling bugs revealed by CUDA builds, removed unused variables
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2023-12-09 16:46:10 -06:00 |
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267e360bac
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Fixed bugs with acquiring depsh from lib/gpu, updated the doc page
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2023-12-09 15:39:54 -06:00 |
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3830711dec
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Added the GPU version of sph/heatconduction
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2023-12-09 15:15:13 -06:00 |
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54a6143e9e
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Updated the doc pages for sph/lj/gpu and sph/taitwater/gpu
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2023-12-08 14:27:00 -06:00 |
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46a670889d
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Added BaseSPH for sph pair styles, fixed bugs with per-type arrays
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2023-12-08 14:09:39 -06:00 |
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0f78afc66f
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Added atom tag for dpd to work with tag and v
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2023-12-08 00:20:53 -06:00 |
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7fad795141
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Added pair sph/taitwater/gpu in src/GPU
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2023-12-08 00:10:01 -06:00 |
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cad4c25750
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Adding sph/taitwater in lib/gpu
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2023-12-07 17:22:45 -06:00 |
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6fe16c7606
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Added pair style sph/lj/gpu in src/GPU, removed commented codes
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2023-12-07 14:33:47 -06:00 |
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fef28c9daa
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Updated sph_lj kernels
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2023-12-07 11:41:37 -06:00 |
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379d3c8e20
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Updated host_esph to extra data and cut to coeff
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2023-12-07 11:06:17 -06:00 |
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26c7358a84
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Working on sph_lj kernels
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2023-12-07 10:24:25 -06:00 |
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1849df15e0
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Removed unused member functions in edpd
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2023-12-07 10:16:40 -06:00 |
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0940793537
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Updated the coul_soft and coul_long_soft kernels with forces as acctyp3
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2023-12-07 09:23:49 -06:00 |
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fe96d9f836
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Added the GPU version of pair edpd and mdpd
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2023-12-05 13:34:37 -06:00 |
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086cf49a8c
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Added the GPU version of coul/slater/long
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2023-12-05 13:32:33 -06:00 |
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9588ddabf6
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Added the GPU versions of lj/cut/coul/cut/soft and lj/cut/coul/long/soft
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2023-12-05 13:30:26 -06:00 |
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2f415c8b62
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bugfix for pair style dpd/gpu from Trung
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2023-08-09 09:42:01 -04:00 |
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021eeae860
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add workaround for failing overhead estimation test on (Intel) GPUs that only support single precision
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2023-07-18 13:24:11 -04:00 |
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74c5ca0996
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move definition of struct containing double to avoid failure on Intel Xe GPU
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2023-07-17 18:34:03 -04:00 |
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fa4a3a0622
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using NBOR_PREFETCH=2 gives errors with Intel Xe GPUs set to 0
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2023-07-17 18:33:21 -04:00 |
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d27ab47ed9
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for clarity
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2023-07-17 18:32:18 -04:00 |
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be2e437cec
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use approximation for erfc() on OpenCL for Intel since the OpenCL version seems broken
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2023-07-14 10:08:59 -04:00 |
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620c60122a
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should not use pow() for computing cube, use multiplication.
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2023-07-14 10:08:09 -04:00 |
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d6412dc97b
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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 |
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f128de7dd0
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Bugfix from @ndtrung81 for indexing bug when tallying per-atom Coulomb energy
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2023-06-13 15:13:16 -04:00 |
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fbded8d8f4
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include fix from @ndtrung81
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2023-04-13 20:06:35 -04:00 |
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92302d0f22
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Merge branch 'develop' into mar2023_gpu_misc
|
2023-03-13 19:02:20 -04:00 |
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