Code

pd: add CPP inference with LAMMPS#4467

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njzjz merged 60 commits intodeepmodeling:develdeepmodeling/deepmd-kit:develfrom HydrogenSulfate:add_cpp_inferHydrogenSulfate/deepmd-kit:add_cpp_inferCopy head branch name to clipboardJan 13, 2025

+2,582-13

Commits

Commits on Dec 10, 2024

• add LAMMPS CPP inference

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• update code

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Commits on Dec 27, 2024

• update CPP inference test(deeppot_sea)

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• refine code

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• fix suggestions from code rabbit

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Commits on Dec 31, 2024

• update

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• update test shell

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• change createNlistTensor to createNlistTensorPD to avoid mutliple definitions

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• use CPU inference lib instead of GPU inference lib

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• resize output vector size before copy to CPU

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Commits on Jan 2, 2025

• fix test_deeppot_pd related code

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• update CMAKE to avoid lib not found

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• Merge branch 'devel' into add_cpp_infer

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Commits on Jan 3, 2025

• update LD_LIBRARY_PATH

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• move LD_LIBRARY_PATH to the begin position

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• update test_cc_local

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• add paddle inference lib into 'LD_LIBRARY_PATH' in test_cc

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• fix 29814 typo

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• update mkl and onednn lib in test_cc

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Commits on Jan 5, 2025

• output more details in fsanitize

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Commits on Jan 6, 2025

• test for line number

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Commits on Jan 7, 2025

• add fsanitize-ignorelist for some mem leak can be ignored currently

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• Merge branch 'devel' into add_cpp_infer

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• fix fsanitize-ignorelist path

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• use $ instead of 29814

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• Update .github/workflows/test_cc.yml

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• try format

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• use the clang compiler

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• enable more C++ test case

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• fix all serialization and inference code

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Commits on Jan 8, 2025

• Merge branch 'add_cpp_infer' of https://github.com/HydrogenSulfate/deepmd-kit into add_cpp_infer

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• restore gpu information printing code

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• [pre-commit.ci] auto fixes from pre-commit.com hooks

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• solve mutiple definition of omp functions

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• Merge branch 'add_cpp_infer' of https://github.com/HydrogenSulfate/deepmd-kit into add_cpp_infer

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• fix dtype for inference model

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• Merge branch 'devel' into add_cpp_infer

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• split pd C++ test from test_cc_local

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• split pd C++ test from test_cc_local

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• export model in prim mode to bypass latent error in PNormGradKernel

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• Merge branch 'add_cpp_infer' of https://github.com/HydrogenSulfate/deepmd-kit into add_cpp_infer

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• add libpaddle_inference.so as module to igorelist.txt

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Commits on Jan 9, 2025

• use LSAN_OPTIONS instead of fsanitize-ignorelist

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• remove LD_LIBRARY_PATH in cov test env

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• Merge branch 'devel' into add_cpp_infer

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• fix

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• update source/lmp/plugin/CMakeLists.txt

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• append original LD_LIBRARY_PATH to

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• copy paddle so instead of set LD_LIBRARY_PATH

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• revert Clang to GCC

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• fix rtol to 1e-6 and atol to 1e-9

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• Merge branch 'add_cpp_infer' of https://github.com/HydrogenSulfate/deepmd-kit into add_cpp_infer

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Commits on Jan 10, 2025

• update rtol and atol for python unitest

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• skip test_pair_deepmd_mpi

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• Update build_cxx.sh

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• Fix PATH export location in test workflow

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Commits on Jan 11, 2025

• download paddle inference for cuda12 in CMAKEList.txt

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Commits on Jan 13, 2025

• use instead of github.workspace

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• add paddle inference path to BACKEND_LIBRARY_PATH and BACKEND_INCLUDE_DIRS

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• Merge branch 'devel' into add_cpp_infer

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