fix(jax): add hessian energy loss #14604
Workflow file for this run
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| name: Build C library | |
| on: | |
| push: | |
| branches-ignore: | |
| - "gh-readonly-queue/**" | |
| - "copilot/**" | |
| - "dependabot/**" | |
| - "pre-commit-ci-update-config" | |
| tags: | |
| - "v*" | |
| pull_request: | |
| merge_group: | |
| concurrency: | |
| group: ${{ github.workflow }}-${{ github.ref || github.run_id }} | |
| cancel-in-progress: true | |
| jobs: | |
| build_c: | |
| name: Build C library | |
| runs-on: ubuntu-22.04 | |
| strategy: | |
| matrix: | |
| include: | |
| - package_c_runtime_dependency_pre_exclude_regexes: 'libtorch.*\.so.*;libc10.*\.so.*;libshm\.so.*;libkineto\.so.*;libbackend_with_compiler\.so.*;libcaffe2.*\.so.*;libcuda.*\.so.*;libcudart.*\.so.*;libcublas.*\.so.*;libcufft.*\.so.*;libcufile.*\.so.*;libcupti.*\.so.*;libcurand.*\.so.*;libcusolver.*\.so.*;libcusparse.*\.so.*;libnv.*\.so.*;libcudnn.*\.so.*;libnccl.*\.so.*' | |
| package_c_runtime_dependency_post_exclude_regexes: '.*/libtorch.*\.so.*;.*/libc10.*\.so.*;.*/libshm\.so.*;.*/libkineto\.so.*;.*/libbackend_with_compiler\.so.*;.*/libcaffe2.*\.so.*;.*/libcuda.*\.so.*;.*/libcudart.*\.so.*;.*/libcublas.*\.so.*;.*/libcufft.*\.so.*;.*/libcufile.*\.so.*;.*/libcupti.*\.so.*;.*/libcurand.*\.so.*;.*/libcusolver.*\.so.*;.*/libcusparse.*\.so.*;.*/libnv.*\.so.*;.*/libcudnn.*\.so.*;.*/libnccl.*\.so.*' | |
| filename: libdeepmd_c.tar.gz | |
| steps: | |
| - name: Free Disk Space (Ubuntu) | |
| uses: insightsengineering/disk-space-reclaimer@v1 | |
| with: | |
| tools-cache: true | |
| android: true | |
| dotnet: true | |
| haskell: true | |
| large-packages: true | |
| swap-storage: true | |
| docker-images: true | |
| - uses: actions/checkout@v7 | |
| with: | |
| fetch-depth: 0 | |
| - name: Package C library | |
| run: ./source/install/docker_package_c.sh | |
| env: | |
| ENABLE_PYTORCH: "TRUE" | |
| PACKAGE_C_RUNTIME_DEPENDENCY_PRE_EXCLUDE_REGEXES: ${{ matrix.package_c_runtime_dependency_pre_exclude_regexes }} | |
| PACKAGE_C_RUNTIME_DEPENDENCY_POST_EXCLUDE_REGEXES: ${{ matrix.package_c_runtime_dependency_post_exclude_regexes }} | |
| - name: Check C library package contents | |
| run: | | |
| tar -tzf libdeepmd_c.tar.gz | tee libdeepmd_c.contents | |
| grep -q 'libdeepmd_c/lib/libdeepmd_backend_tf.so' libdeepmd_c.contents | |
| grep -q 'libdeepmd_c/lib/libdeepmd_backend_pt.so' libdeepmd_c.contents | |
| grep -q 'libdeepmd_c/lib/libdeepmd_backend_ptexpt.so' libdeepmd_c.contents | |
| grep -q 'libdeepmd_c/lib/libdeepmd_op_pt.so' libdeepmd_c.contents | |
| grep -q 'libdeepmd_c/download_libtorch.sh' libdeepmd_c.contents | |
| if grep -E 'libdeepmd_c/lib/(libtorch|libc10|libshm|libkineto|libbackend_with_compiler|libcaffe2|libcuda|libcudart|libcublas|libcufft|libcufile|libcupti|libcurand|libcusolver|libcusparse|libnv|libcudnn|libnccl)' libdeepmd_c.contents; then | |
| echo "PyTorch/CUDA runtime libraries must not be bundled in libdeepmd_c.tar.gz" | |
| exit 1 | |
| fi | |
| - name: Note external PyTorch runtime | |
| run: | | |
| libtorch_url=$(tar -xOf libdeepmd_c.tar.gz libdeepmd_c/download_libtorch.sh | sed -n 's/^LIBTORCH_DOWNLOAD_URL="\(.*\)"$/\1/p') | |
| { | |
| echo "PyTorch support was built into the C package, but PyTorch runtime libraries are not bundled." | |
| echo "Download matching libtorch from: ${libtorch_url}" | |
| echo "Or run ./download_libtorch.sh after extracting libdeepmd_c.tar.gz." | |
| echo "The PyTorch version must match the build version exactly; the CUDA variant may be omitted only when compatible." | |
| } >> "$GITHUB_STEP_SUMMARY" | |
| - run: cp libdeepmd_c.tar.gz ${{ matrix.filename }} | |
| if: matrix.filename != 'libdeepmd_c.tar.gz' | |
| # for download and debug | |
| - name: Upload artifact | |
| uses: actions/upload-artifact@v7 | |
| with: | |
| name: libdeepmd_c-${{ strategy.job-index }}-${{ matrix.filename }} | |
| path: ${{ matrix.filename }} | |
| - name: Test C library | |
| run: ./source/install/docker_test_package_c.sh | |
| env: | |
| CHECK_PYTORCH_RUNTIME: "1" | |
| - name: Release | |
| uses: softprops/action-gh-release@v3 | |
| if: startsWith(github.ref, 'refs/tags/') | |
| with: | |
| files: ${{ matrix.filename }} | |
| test_c: | |
| name: Test building from C library | |
| needs: [build_c] | |
| runs-on: ubuntu-22.04 | |
| steps: | |
| - uses: actions/checkout@v7 | |
| - name: Download artifact | |
| uses: actions/download-artifact@v8 | |
| with: | |
| pattern: libdeepmd_c-* | |
| merge-multiple: true | |
| - run: tar -vxzf ./libdeepmd_c.tar.gz | |
| - name: Test C library | |
| run: ./source/install/build_from_c.sh | |
| env: | |
| DEEPMD_C_ROOT: ${{ github.workspace }}/libdeepmd_c | |
| pass: | |
| name: Pass building c library | |
| needs: [build_c, test_c] | |
| runs-on: ubuntu-slim | |
| if: always() | |
| steps: | |
| - name: Decide whether the needed jobs succeeded or failed | |
| uses: re-actors/alls-green@release/v1 | |
| with: | |
| jobs: ${{ toJSON(needs) }} |