baf3e614fb
Add comments for tip4p GPU kernels
2022-08-07 22:26:11 +03:00
59dc63d003
Add typecasting for consts in tip4p GPU kernels
2022-06-01 01:29:18 +03:00
e9051620a5
Cleanup
2022-05-28 00:39:07 +03:00
d8f8a3a36a
Handle inconsistent J molecules in tip4p/gpu
2022-05-28 00:24:24 +03:00
bbb3f35aa3
"int64_t" is defined in stdint.h; must use "long" in OpenCL kernels instead
2021-08-26 22:46:08 -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
0e1fa44b9d
fix compilation error on latest intel OpenCL compiler due to missing tagint definition
2021-05-22 13:16:31 -04:00
e7e2d2323b
Feb2021 GPU Package Update - GPU Package Files
2021-02-15 08:20:50 -08:00
496bd55dc9
Fix lj/cut/tip4p/long/gpu virial
2020-06-25 17:30:51 +03:00
4f6dd381c3
Merge branch 'master' into gpu_hip
2020-03-30 17:15:55 -04:00
d024b3d340
Add shared memory optimization
2020-02-12 01:35:44 +03:00
66c5fa2abd
Merge 'gpu_hip_port' into master
2020-01-28 20:35:08 +03:00
43a9936241
Fix tagint usage
2020-01-20 03:38:58 +03:00
f69a17dd3a
Reduce unnecessary data exchanges
2020-01-19 02:05:16 +03:00
514271c984
recover compilation with -DLAMMPS_BIGBIG and fix whitespace and formatting issues
2020-01-08 17:57:54 -05:00
a3fca53e97
Separate the computation of newsite into another kernel
...
This eliminates the need for thread fence and makes the calculation stable on GTX1070 (CUDA and OpenCL) and TitanV
2019-12-07 15:54:20 +03:00
4a51e1660f
Add thread fence in kernel to fix Volta indeterminacy
2019-12-07 01:16:39 +03:00
a2f9fa8e78
Separate the computation of hneigh into another kernel
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Simplify the main GPU kernel and add another kernel 'k_pair_reneigh'. It works good on GTX1070 (Pascal), but still there is a problem with non-deterministic results on Volta.
I reimplement BaseCharge::compute methods in the child class LJ_TIP4PLong to correctly embed a new kernel in the code.
Also commit includes some codestyle fixes.
2019-12-06 21:41:02 +03:00
66a076b819
Delete "float.h" from TIP4P GPU kernel for better OpenCL compatibility
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According to Khronos OpenCL docs, "The C99 standard headers <...>, float.h, <...> are not available and cannot be included by a program"
2019-11-27 19:49:12 +03:00
4febc7f794
Add copyright and fix style
2019-11-18 02:01:32 +03:00
f803ba5655
Add shfl_xor sum to kernel for ARCH>=300
2019-11-12 21:35:36 +03:00
64bdc59623
Implement GPU pair style lj/cut/tip4p/long/gpu
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Source code, Makefiles and Install for GPU-accelerated TIP4P pair style.
It is implemented as a part of the standard GPU package.
The style is compatible with the standard lj/cut/tip4p/long.
Also, this commit modifies "atom.h" just to
add a getter for variable 'max_same'.
2019-11-10 02:38:58 +03:00
