2de482f825
Merge pull request #2911 from akohlmey/fix-gpu-package-issues
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Fix minor GPU package issues for the stable release
2021-08-30 13:45:23 -04:00
39d8b239ff
don't report bogus timings
2021-08-29 17:56:47 -04:00
89556f0bcb
Override any OpenCL fast math JIT settings for born/coul/wolf{/cs}/gpu to resolve numerical deviations seen with some OpenCL implementations.
2021-08-28 17:01:58 -07:00
bbb3f35aa3
"int64_t" is defined in stdint.h; must use "long" in OpenCL kernels instead
2021-08-26 22:46:08 -04:00
49a81d6fba
silence compiler warnings
2021-08-26 06:30:16 -04:00
e3af1544f1
Merge pull request #2804 from Vsevak/tip4p_fix_types
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Fix atom types handling in the tip4p/gpu kernels
2021-08-26 01:08:19 -04:00
92b5b159e5
replace tabs and remove trailing whitespace in lib folder with updated script
2021-08-22 20:45:24 -04:00
94ce07b2de
Merge branch 'lammps:master' into tip4p_fix_types
2021-07-21 14:09:39 +03:00
d982d153f8
Fix conditions for correct results on other types
2021-06-18 18:26:53 +03:00
8fef6a10dd
Fix atom types handling in the tip4p/gpu kernels
2021-06-18 00:52:23 +03:00
8ea9179a00
Correct device pointer datatype in HIP UCL_Const
2021-06-02 15:46:57 -04:00
62423b0c75
Disable new GPU neighbor for HIP
2021-06-02 15:45:06 -04:00
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
63ecb77303
fix some more URLs
2021-05-24 15:38:27 -04:00
7dee0b0633
Merge branch 'gpu-updates' into eam-gpu
2021-05-24 00:24:04 -04:00
0e1fa44b9d
fix compilation error on latest intel OpenCL compiler due to missing tagint definition
2021-05-22 13:16:31 -04:00
fe93603d15
Merge branch 'eam-gpu' of https://github.com/ndtrung81/lammps into eam-gpu
2021-05-19 10:59:47 -05:00
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
5dbf9f754e
Merge branch 'master' into eam-gpu
2021-05-18 14:19:39 -04:00
5591b0f33d
Merge branch 'master' into smooth-gpu
2021-05-11 23:59:14 -04:00
442a829b1e
changed author
2021-05-12 00:40:38 +03:00
5865ced9c7
minor change
2021-05-12 00:25:51 +03:00
d3186b74f7
updated
2021-05-12 00:14:27 +03:00
5b8763c471
Merge branch 'lammps:master' into smooth-gpu
2021-05-11 22:22:33 +03:00
a687868c69
finalize available GPU hardware introspection functions
2021-05-10 16:34:27 -04:00
fbdcfb2f72
preliminary interface to detect whether a viable GPU is present
2021-05-10 09:16:51 -04:00
299ad3b37d
work around bogus device overhead info in OpenCL
2021-05-08 23:43:15 -04:00
b3083f1982
Fixed issue with accessing type2frho array in eam energy kernels
2021-05-07 13:43:58 -04:00
efd6f7b2d0
Fixed issue with accessing type2frho array in eam energy kernels
2021-05-04 23:12:55 -05:00
7c3a7cb2e4
Merge branch 'master' into eam-gpu
2021-05-04 23:05:29 -05:00
b4a70880d9
Merge pull request #2745 from rbberger/gpu_updates
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Updates to the GPU package
2021-04-30 19:32:44 -04:00
6029445ab5
Fix tagint datatype with LAMMPS_BIGBIG in OpenCL
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The previous version was trying to use 16 byte integers.
2021-04-30 12:01:56 -04:00
375f8e7054
support loading OpenCL functions up to the OpenCL 3.0 standard
2021-04-30 09:28:01 -04:00
8dfcdc4b3c
Revert "activate workaround for problems with new GPU code neighbor lists"
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This reverts commit a28d9a6e69
2021-04-29 19:24:28 -04:00
24314b2316
Formatting
2021-04-23 16:36:01 -04:00
8ba1b59d8d
Correct fprintf statement in debug code
2021-04-23 16:34:12 -04:00
0632922a9b
Explicitly check for subgroup support instead of CL version
2021-04-22 12:54:13 -04:00
0f1f49afa7
Add more output to ocl_get_devices
2021-04-22 12:52:30 -04:00
d405f2ec4b
Update defines to use old neighbor code for CUDA >= 11.2
2021-04-22 09:16:37 -04:00
bb7931c989
Fixing bugs in slow (non-shared memory) variant of lj/charmm/coul/charmm/gpu
2021-04-18 09:35:54 -07:00
3d5897c926
Fixes issue from Feb 2021 GPU package update for tersoff styles using multiple types.
2021-04-18 01:40:33 -07:00
18e5e42ce3
minor change
2021-04-18 04:30:59 +03:00
a91e904f34
minor changes
2021-04-17 14:56:16 +03:00
5d00fa7ec5
update constants for lj/cubic/gpu from CPU version
2021-04-07 14:00:14 -04:00
3e3f66adac
Merge branch 'master' into smooth-gpu
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Added gpu acceleration for smooth pair_style.
2021-04-07 14:15:33 +03:00
717faa6515
correctly detect GPU package with CUDA api
2021-04-06 19:12:28 -04:00
4c2fb7a431
Porting to new default platform for AMD/HIP in ROCm 4.1
2021-04-01 09:43:13 -05:00
9e412bb7a6
Fixing bug with GPU neighboring when using builds supporting CUDPP.
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...introduced in Feb 2021 GPU package update. Manifests when GPU library is built with -DUSE_CUDPP and -DLAL_USE_OLD_NEIGHBOR (latter forced with CUDA 11.2).
2021-03-31 11:42:39 -07:00
dca9cd9c1c
Kept the .cubin files so that they are only rebuilt whenever changes are made to the relevant source files
2021-03-29 13:46:16 -05:00
7662cfe28d
Merge /home/ndtrung/Codes/lammps-git into eam-gpu
2021-03-29 13:33:31 -05:00
