Code

pd: add CPP inference with LAMMPS#4467

Code

Open

HydrogenSulfate wants to merge 56 commits intodeepmodeling:develdeepmodeling/deepmd-kit:develfrom HydrogenSulfate:add_cpp_inferHydrogenSulfate/deepmd-kit:add_cpp_inferCopy head branch name to clipboard

+2,547-13

Commits

Commits on Dec 10, 2024

• add LAMMPS CPP inference

  HydrogenSulfate

  committed
  bea3123

  Copy full SHA for bea3123

• update code

  HydrogenSulfate

  committed
  2e6cae4

  Copy full SHA for 2e6cae4

Commits on Dec 27, 2024

• update CPP inference test(deeppot_sea)

  HydrogenSulfate

  committed
  a8145fa

  Copy full SHA for a8145fa

• refine code

  HydrogenSulfate

  committed
  0e6172d

  Copy full SHA for 0e6172d

• fix suggestions from code rabbit

  HydrogenSulfate

  committed
  79f0b98

  Copy full SHA for 79f0b98

Commits on Dec 31, 2024

• update

  HydrogenSulfate

  committed
  c2a9295

  Copy full SHA for c2a9295

• update test shell

  HydrogenSulfate

  committed
  5a048c4

  Copy full SHA for 5a048c4

• change createNlistTensor to createNlistTensorPD to avoid mutliple definitions

  HydrogenSulfate

  committed
  8800bb0

  Copy full SHA for 8800bb0

• use CPU inference lib instead of GPU inference lib

  HydrogenSulfate

  committed
  269e96e

  Copy full SHA for 269e96e

• resize output vector size before copy to CPU

  HydrogenSulfate

  committed
  3f7e5af

  Copy full SHA for 3f7e5af

Commits on Jan 2, 2025

• fix test_deeppot_pd related code

  HydrogenSulfate

  committed
  ff50600

  Copy full SHA for ff50600

• update CMAKE to avoid lib not found

  HydrogenSulfate

  committed
  c24cee2

  Copy full SHA for c24cee2

• Merge branch 'devel' into add_cpp_infer

  HydrogenSulfate

  authored
  ee6547e

  Copy full SHA for ee6547e

Commits on Jan 3, 2025

• update LD_LIBRARY_PATH

  HydrogenSulfate

  committed
  2a1be37

  Copy full SHA for 2a1be37

• move LD_LIBRARY_PATH to the begin position

  HydrogenSulfate

  committed
  ca60d08

  Copy full SHA for ca60d08

• update test_cc_local

  HydrogenSulfate

  committed
  e26ca2a

  Copy full SHA for e26ca2a

• add paddle inference lib into 'LD_LIBRARY_PATH' in test_cc

  HydrogenSulfate

  committed
  64ccf14

  Copy full SHA for 64ccf14

• fix 29814 typo

  HydrogenSulfate

  committed
  5470ce0

  Copy full SHA for 5470ce0

• update mkl and onednn lib in test_cc

  HydrogenSulfate

  committed
  aaf3131

  Copy full SHA for aaf3131

Commits on Jan 5, 2025

• output more details in fsanitize

  HydrogenSulfate

  committed
  a24a6e9

  Copy full SHA for a24a6e9

Commits on Jan 6, 2025

• test for line number

  HydrogenSulfate

  committed
  7e6f5f4

  Copy full SHA for 7e6f5f4

Commits on Jan 7, 2025

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

  HydrogenSulfate

  committed
  7030ccc

  Copy full SHA for 7030ccc

• Merge branch 'devel' into add_cpp_infer

  HydrogenSulfate

  committed
  94793f3

  Copy full SHA for 94793f3

• fix fsanitize-ignorelist path

  HydrogenSulfate

  committed
  0e22018

  Copy full SHA for 0e22018

• use $ instead of 29814

  HydrogenSulfate

  committed
  4e7183f

  Copy full SHA for 4e7183f

• Update .github/workflows/test_cc.yml

  Show description for c3a2b27
  

  HydrogenSulfate

  and

  njzjz

  authored
  c3a2b27

  Copy full SHA for c3a2b27

• try format

  Show description for 0045f77
  njzjz

  authored
  0045f77

  Copy full SHA for 0045f77

• use the clang compiler

  njzjz

  authored
  d598c3e

  Copy full SHA for d598c3e

• enable more C++ test case

  HydrogenSulfate

  committed
  5b663f1

  Copy full SHA for 5b663f1

• fix all serialization and inference code

  HydrogenSulfate

  committed
  cbbd11e

  Copy full SHA for cbbd11e

Commits on Jan 8, 2025

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

  HydrogenSulfate

  committed
  9f558e7

  Copy full SHA for 9f558e7

• restore gpu information printing code

  HydrogenSulfate

  committed
  a749056

  Copy full SHA for a749056

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

  Show description for f48ba9b
  pre-commit-ci[bot]

  committed
  f48ba9b

  Copy full SHA for f48ba9b

• solve mutiple definition of omp functions

  HydrogenSulfate

  committed
  33219f1

  Copy full SHA for 33219f1

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

  HydrogenSulfate

  committed
  4801b2a

  Copy full SHA for 4801b2a

• fix dtype for inference model

  HydrogenSulfate

  committed
  f82aa99

  Copy full SHA for f82aa99

• Merge branch 'devel' into add_cpp_infer

  HydrogenSulfate

  committed
  196f821

  Copy full SHA for 196f821

• split pd C++ test from test_cc_local

  HydrogenSulfate

  committed
  76e9019

  Copy full SHA for 76e9019

• split pd C++ test from test_cc_local

  HydrogenSulfate

  committed
  8e85649

  Copy full SHA for 8e85649

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

  HydrogenSulfate

  committed
  2204844

  Copy full SHA for 2204844

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

  HydrogenSulfate

  committed
  26f8010

  Copy full SHA for 26f8010

• add libpaddle_inference.so as module to igorelist.txt

  HydrogenSulfate

  committed
  60dabca

  Copy full SHA for 60dabca

Commits on Jan 9, 2025

• use LSAN_OPTIONS instead of fsanitize-ignorelist

  HydrogenSulfate

  committed
  17b39c1

  Copy full SHA for 17b39c1

• remove LD_LIBRARY_PATH in cov test env

  HydrogenSulfate

  committed
  1679314

  Copy full SHA for 1679314

• Merge branch 'devel' into add_cpp_infer

  HydrogenSulfate

  committed
  2e9bfa7

  Copy full SHA for 2e9bfa7

• fix

  HydrogenSulfate

  committed
  2944d58

  Copy full SHA for 2944d58

• update source/lmp/plugin/CMakeLists.txt

  HydrogenSulfate

  committed
  8e5a9f7

  Copy full SHA for 8e5a9f7

• append original LD_LIBRARY_PATH to

  HydrogenSulfate

  committed
  8940bd9

  Copy full SHA for 8940bd9

• copy paddle so instead of set LD_LIBRARY_PATH

  HydrogenSulfate

  committed
  4bc5db3

  Copy full SHA for 4bc5db3

• revert Clang to GCC

  Show description for b761e83
  njzjz

  authored
  b761e83

  Copy full SHA for b761e83

• fix rtol to 1e-6 and atol to 1e-9

  HydrogenSulfate

  committed
  38904c3

  Copy full SHA for 38904c3

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

  HydrogenSulfate

  committed
  58711c7

  Copy full SHA for 58711c7

Commits on Jan 10, 2025

• update rtol and atol for python unitest

  HydrogenSulfate

  committed
  d265094

  Copy full SHA for d265094

• skip test_pair_deepmd_mpi

  HydrogenSulfate

  committed
  05759cc

  Copy full SHA for 05759cc

• Update build_cxx.sh

  Show description for 50122a7
  HydrogenSulfate

  authored
  50122a7

  Copy full SHA for 50122a7

• Fix PATH export location in test workflow

  njzjz

  authored
  2a2fd1b

  Copy full SHA for 2a2fd1b