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a981843686
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forgot updated Makefile
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2022-10-17 11:51:50 -04:00 |
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9f20347375
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update PACE library for conventional build
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2022-10-15 15:10:01 -04:00 |
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c113253e2d
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Merge branch 'develop' of https://github.com/lammps/lammps into kk_update_3.7
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2022-10-10 13:44:02 -07:00 |
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1fb07387b9
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Merge pull request #3479 from yury-lysogorskiy/feature/pace-al
BUGFIX: address issue with compilation KOKKOS + pace/extrapolation
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2022-10-10 14:57:13 -04:00 |
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341bb57555
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Update Install.py
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2022-10-10 08:45:33 -07:00 |
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7c9666798e
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whitespace
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2022-10-08 09:34:20 -04:00 |
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7551c0a3ca
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GPU Package: Documenting some additional preprocessor flags, updating oneapi Makefile.
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2022-10-07 22:44:21 -07:00 |
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00f46120c7
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Removed max_cus() from Device, used device->gpu->cus() instead
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2022-10-07 15:50:30 -05:00 |
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5a98a38e24
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GPU Package: Switching to parallel GPU initialization / JIT compilation.
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2022-10-07 13:25:14 -07:00 |
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f715f174bb
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GPU Package: Print OCL platform name to screen when multiple platforms
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2022-10-06 21:40:42 -07:00 |
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a6a39d47e1
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Fixing potential issues with automatic splitting of accelerators for NUMA.
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2022-10-06 20:48:02 -07:00 |
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e9f39f85d2
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Fixing issue where shared main memory property only set for NVIDIA devices.
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2022-10-06 20:05:33 -07:00 |
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6b9e83fe20
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Added timing for the induced dipole spreading part, computed the block size to ensure all the CUs are occupied by the fphi_uind and fphi_mpole kernels
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2022-10-06 15:03:58 -05:00 |
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7157643fdd
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Merge pull request #3315 from yury-lysogorskiy/feature/pace-al
ML_PACE with extrapolation grade / active learning
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2022-10-05 20:16:13 -04:00 |
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e51be5d6e0
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Need desul library
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2022-10-04 15:00:14 -06:00 |
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f9f9e44f2d
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Update Kokkos library in LAMMPS to v3.7.0
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2022-10-04 14:04:40 -06:00 |
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2ef6a59c0a
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Merge branch 'develop' into amoeba-gpu
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2022-10-01 00:38:24 -05:00 |
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9a1f23a079
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Cosmetic changes and cleanup
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2022-09-30 17:32:25 -05:00 |
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1d75ca3b20
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Moved precompute() out of the terms in amoeba and hippo, to be involed in the first term in a time step: multipole for amoeba and repulsion for hippo
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2022-09-30 16:31:13 -05:00 |
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fb675028b9
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whitespace
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2022-09-29 02:42:11 -04:00 |
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71464d8314
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GPU Package: Fixing logic in OpenCL backend that could result in unnecessary device allocations.
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2022-09-28 22:30:09 -07:00 |
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6e34d21b24
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GPU Package: Switching back to timer disabling with multiple MPI tasks per GPU. Logic added to prevent mem leak.
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2022-09-28 21:02:16 -07:00 |
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e6d2582642
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Updated fphi_mpole, renamed precompute_induce to precompute_kspace
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2022-09-28 15:08:18 -05:00 |
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de28c9b19c
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propagate new pace lib version tage and hash to lib/pace/Install.py
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2022-09-27 15:27:43 -04:00 |
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2e3fc4c054
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Merge branch 'develop' into feature/pace-al
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2022-09-25 16:01:48 -04:00 |
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166701f13a
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Fixed missing commas in the argument list of the macros in amoeba and hippo cu files, added amoeba_convolution_gpu.cpp and .h to the source file list in GPU.cmake
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2022-09-23 11:53:09 -05:00 |
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785131932c
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Added fphi_mpole in amoeba/gpu, fixed a bug in the kernel when indexing grid
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2022-09-20 13:58:17 -05:00 |
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356c46c913
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Replaced mem allocation/deallocation inside moduli() with using member variables and mem resize if needed
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2022-09-18 16:28:30 -05:00 |
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caa66d904e
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Cleaned up GPU lib functions
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2022-09-18 15:54:12 -05:00 |
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f9f777b099
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Refactored precompute_induce to overlap data transfers with kernel launches
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2022-09-18 15:09:26 -05:00 |
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8d6629cb80
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update MDI library to version 1.4.12 which plugs memory leaks on initialization
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2022-09-18 11:04:57 -04:00 |
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62ecf98cda
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Enabled fphi_uind in hippo/gpu, really need to refactor hippo and amoeba in the GPU lib to remove kernel duplicates
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2022-09-16 14:47:16 -05:00 |
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880f20c285
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Cleaned up kernels
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2022-09-15 15:29:14 -05:00 |
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797a45232c
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Merge branch 'fix-pair-dump-skip' into feature/pace-al
# Conflicts:
# src/fix_pair.cpp
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2022-09-15 11:07:24 +02:00 |
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cd3a00c2c4
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Added timing breakdown for fphi_uind
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2022-09-14 15:28:44 -05:00 |
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9c4d3db558
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Cleaned up and converted arrays to ucl_vector of numtyp4
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2022-09-13 16:48:39 -05:00 |
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31047b4a31
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Removed mem alloc in precompute_induce, used buffer for packing, and switched to using ucl_vector
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2022-09-13 12:53:48 -05:00 |
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1abfec066c
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update MDI library version to 1.4.11
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2022-09-12 12:30:34 -04:00 |
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7f4efa380a
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Re-arranged memory allocation for cgrid_brick, some issues need to be fixed
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2022-09-11 18:58:34 -05:00 |
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5e59c95be4
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Moved temp variables inside loops
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2022-09-10 02:45:06 -05:00 |
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363b6c51d0
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Used local arrays and re-arranged for coalesced global memory writes
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2022-09-10 02:31:39 -05:00 |
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1364033055
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Merge pull request #3432 from benmenadue/develop
Use primary context in CUDA GPU code.
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2022-09-09 16:24:46 -04:00 |
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d1fb2244e2
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make downloaded version consistent
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2022-09-09 15:21:42 -04:00 |
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c58343b2e2
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Cleaned up debugging stuffs, need more refactoring and add to hippo
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2022-09-09 13:50:41 -05:00 |
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b72b71837e
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Moved first_induce_iteration in induce() to the right place
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2022-09-09 13:34:57 -05:00 |
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4b8caac727
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Made some progress with fphi_uind in the gpu pair style
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2022-09-09 12:14:36 -05:00 |
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167abe9ce0
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add preprocessor flags to select between the changed and the old code variant
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2022-09-09 12:41:24 -04:00 |
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ffb8b8ba97
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Merge branch 'develop' into mdi-tweak
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2022-09-09 00:03:39 -04:00 |
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1cd47b762b
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Update MDI plugin code
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2022-09-09 02:28:06 +00:00 |
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5c73befc66
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upgrade to MDI 1.4.9
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2022-09-07 13:57:20 -06:00 |
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