diff --git a/.github/workflows/build_test_cmake.yml b/.github/workflows/build_test_cmake.yml index f9957c6b036..8065605e323 100644 --- a/.github/workflows/build_test_cmake.yml +++ b/.github/workflows/build_test_cmake.yml @@ -20,7 +20,7 @@ jobs: build_args: "-DENABLE_LIBXC=1 -DENABLE_DEEPKS=1 -DENABLE_LIBRI=1 -DENABLE_PAW=1" name: "Build extra components with GNU toolchain" - tag: intel - build_args: "-DENABLE_LIBXC=1 -DENABLE_DEEPKS=1 -DENABLE_LIBRI=1 -DENABLE_PAW=1" + build_args: "-DENABLE_LIBXC=1 -DENABLE_DEEPKS=1 -DENABLE_LIBRI=1" name: "Build extra components with Intel toolchain" - tag: cuda diff --git a/.github/workflows/devcontainer.yml b/.github/workflows/devcontainer.yml index 6496a3251aa..597283930b8 100644 --- a/.github/workflows/devcontainer.yml +++ b/.github/workflows/devcontainer.yml @@ -4,11 +4,10 @@ on: push: branches: - develop - - container_test jobs: build_container_and_push: - runs-on: ubuntu-latest + runs-on: self-hosted if: github.repository_owner == 'deepmodeling' strategy: matrix: diff --git a/.github/workflows/image.yml b/.github/workflows/image.yml index 9203a72f6c8..d4836ddd061 100644 --- a/.github/workflows/image.yml +++ b/.github/workflows/image.yml @@ -7,7 +7,7 @@ on: - 'v*' jobs: build_container_and_push: - runs-on: ubuntu-latest + runs-on: self-hosted if: github.repository_owner == 'deepmodeling' steps: - name: Checkout diff --git a/Dockerfile.intel b/Dockerfile.intel index f4e2a042ff2..6cac8c9f5f6 100644 --- a/Dockerfile.intel +++ b/Dockerfile.intel @@ -19,7 +19,16 @@ RUN apt-get update && \ intel-oneapi-mpi-devel \ intel-oneapi-vtune -RUN echo "source /opt/intel/oneapi/setvars.sh" >> ${HOME}/.bashrc + +ENV I_MPI_ROOT='/opt/intel/oneapi/mpi/latest' \ + LIBRARY_PATH=/opt/intel/oneapi/tbb/latest/env/../lib/intel64/gcc4.8:/opt/intel/oneapi/mpi/latest/lib:/opt/intel/oneapi/mkl/latest/lib/:/opt/intel/oneapi/ippcp/latest/lib/:/opt/intel/oneapi/ipp/latest/lib:/opt/intel/oneapi/dpl/latest/lib:/opt/intel/oneapi/dnnl/latest/lib:/opt/intel/oneapi/dal/latest/lib:/opt/intel/oneapi/compiler/latest/lib:/opt/intel/oneapi/ccl/latest/lib/ \ + LD_LIBRARY_PATH=/opt/intel/oneapi/tbb/latest/env/../lib/intel64/gcc4.8:/opt/intel/oneapi/mpi/latest/opt/mpi/libfabric/lib:/opt/intel/oneapi/mpi/latest/lib:/opt/intel/oneapi/mkl/latest/lib:/opt/intel/oneapi/itac/latest/slib:/opt/intel/oneapi/ippcp/latest/lib/:/opt/intel/oneapi/ipp/latest/lib:/opt/intel/oneapi/dpl/latest/lib:/opt/intel/oneapi/dnnl/latest/lib:/opt/intel/oneapi/debugger/latest/opt/debugger/lib:/opt/intel/oneapi/dal/latest/lib:/opt/intel/oneapi/compiler/latest/opt/oclfpga/host/linux64/lib:/opt/intel/oneapi/compiler/latest/opt/compiler/lib:/opt/intel/oneapi/compiler/latest/lib:/opt/intel/oneapi/ccl/latest/lib/ \ + PATH=/opt/intel/oneapi/vtune/latest/bin64:/opt/intel/oneapi/mpi/latest/opt/mpi/libfabric/bin:/opt/intel/oneapi/mpi/latest/bin:/opt/intel/oneapi/mkl/latest/bin/:/opt/intel/oneapi/itac/latest/bin:/opt/intel/oneapi/inspector/latest/bin64:/opt/intel/oneapi/dpcpp-ct/latest/bin:/opt/intel/oneapi/dev-utilities/latest/bin:/opt/intel/oneapi/debugger/latest/opt/debugger/bin:/opt/intel/oneapi/compiler/latest/opt/oclfpga/bin:/opt/intel/oneapi/compiler/latest/bin:/opt/intel/oneapi/advisor/latest/bin64:/opt/mamba/bin:/opt/mamba/bin:/usr/local/sbin:/usr/local/bin:/usr/sbin:/usr/bin:/sbin:/bin \ + MKLROOT='/opt/intel/oneapi/mkl/latest' \ + FI_PROVIDER_PATH='/opt/intel/oneapi/mpi/latest/opt/mpi/libfabric/lib/prov:/usr/lib/x86_64-linux-gnu/libfabric' \ + CMAKE_PREFIX_PATH='/opt/intel/oneapi/tbb/latest/env/..:/opt/intel/oneapi/mkl/latest/lib/cmake:/opt/intel/oneapi/ipp/latest/lib/cmake/ipp:/opt/intel/oneapi/dpl/latest/lib/cmake/oneDPL:/opt/intel/oneapi/dnnl/latest/lib/cmake:/opt/intel/oneapi/dal/latest:/opt/intel/oneapi/compiler/latest' \ + CMPLR_ROOT='/opt/intel/oneapi/compiler/latest' + SHELL ["/bin/bash", "-c"] ENV CC=mpiicx CXX=mpiicpx FC=mpiifx