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
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- 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"
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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Removed the outdated CUDA_PROXY flag, using CUDA_MPS_SUPPORT consistently in CMake and traditional builds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
88ccd546d8
Fixed bugs with gauss/gpu in bonded systems, including factor_lj in forces and energies
2023-02-09 23:55:14 -06:00
04bed1a6e0
roll back changes for vec3_scale() and vec3_scaleadd() and use temporary vector
2023-02-08 20:32:47 -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
acf7f9184d
fix failing unit tests with OpenCL
2023-02-06 18:40:59 -05:00
0885edc154
re-enable new neighbor lists with CUDA 12.0 and later
2023-02-05 03:02:19 -05:00
34e8a74989
apply changes suggested by clang-tidy
2023-01-27 11:49:43 -05:00
5bd7b95e60
Merge pull request #3613 from lammps/gpu-neigh-macos
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Attempted to allow GPU acceleration on MacOS with neighbor builds on …
2023-01-25 13:34:52 -05:00
6fefd8821a
Attempted to allow GPU acceleration on MacOS with neighbor builds on the device by enforcing the old neighbor list code path (will revisit)
2023-01-25 10:42:55 -06:00
722e583b59
use available introspection API to get accumulator data type. update name of flag.
2023-01-25 05:22:49 -05:00
adf43d7fee
Fixed the issues with some OpenCL implementation to avoid errors casting changing the pointer address spaces
2023-01-25 00:02:25 -06:00
64b5ad8966
Merge branch 'develop' into amoeba-gpu
2023-01-24 20:22:59 -05:00
aaa918cbe7
Fixed bugs with access mode on the host side of thetai[1-3]
2023-01-24 17:05:48 -06:00
5014e04341
Removed commented out code, ensured that ic_kspace is not nullptr when call precompute_kspace for hippo/gpu
2023-01-24 08:40:08 -06:00
27da716852
getting out of the insurance business :-)
2023-01-23 16:45:41 -05:00
8e79e2efa5
More cleanup, fixed bugs with hippo fphi kernels for mixed precision
2023-01-23 00:18:42 -06:00
658328dd9d
Added a note in the amoeba doc page on the not-yet resolved issue with integrated GPUs, removed commented out and debugging stuffs in the AM/HP kernels
2023-01-22 17:24:15 -06:00
8eb722a32a
Enforced synchronous host-device transfers for cgrid_brick and fdip arrays
2023-01-19 13:22:27 -06:00
03ab42fd52
correct calling sequence for matching argument types
2023-01-19 08:57:24 -05:00
4244d2e6cd
silence compiler warnings about unused parameters and variables
2023-01-19 08:56:54 -05:00
eddd3d6f25
Fixed a bug with extra being nullptr when _host_view is true: always allocate extra
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(Note that BaseAmoeba has its own cast_extra_data() that doesn't know if extra is allocated properly, it is the case when _host_view is false for dedicated GPUs for example)
2023-01-18 20:04:45 -06:00
f86375c992
Attempted to ensure that extra gets allocated in the exactly same way as other added fields (charge, quat and vel)
2023-01-17 09:47:09 -06:00
71931d1d44
Cleaned up, and added missing zero timers for extra fields transfers
2023-01-17 09:39:03 -06:00
973b46a907
Attempted to resolve the memory access runtime errors when acquiring single and mixed precision arrays from the GPU lib
2023-01-16 10:12:42 -06:00
9dc0369cee
Attempted to resolve the address space change issue when casting for OpenCL 2.0 (ref: https://www.intel.com/content/www/us/en/developer/articles/technical/the-generic-address-space-in-opencl-20.html#06_address_space_casting )
2023-01-15 23:28:48 -06:00
c9ae41246d
Ran the four make commands in the src folder: make fix-whitespace; make fix-homepage; make fix-errordocs; make fix-permissions
2023-01-15 16:05:36 -06:00
212da7f109
Merge branch 'develop' into amoeba-gpu
2023-01-14 18:36:26 -06:00
5cbe303af4
Merge branch 'develop' into collected-small-changes
2023-01-04 07:28:03 -05:00
d9abc3fcc0
update CUDA Toolkit / GPU compatibility lists and GPU package compilation settings
2023-01-03 11:56:44 -05:00
396d577f40
port DPD exclusions corrections to GPU package
2023-01-02 12:04:10 -05:00
8af77c690c
Merge branch 'develop' into amoeba-gpu
2022-12-14 13:16:41 -06:00
959b9c220f
Cleaned up unused member functions and hd_balancer calls
2022-11-07 15:49:37 -06:00
a3cc0e8432
Reverted the block size tuning, which caused bugs for low atom counts (will revisit later)
2022-11-04 13:45:59 -05:00
2f1f7ee0fa
Cleaned up code
2022-11-03 23:45:40 -05:00
e5a808fb8d
apply correct platform selection for OpenCL context
2022-11-01 04:05:57 -04:00
80a141d9c8
silence compiler warnings
2022-11-01 03:38:08 -04:00
