replace cal_stress in GPU relax calculation，use NUM_STREAM in INPUT file and fix memory leak in force calculation
#5409
Workflow file for this run
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
| name: Build Test | |
| on: | |
| push: | |
| pull_request: | |
| jobs: | |
| test: | |
| runs-on: ubuntu-latest | |
| strategy: | |
| matrix: | |
| include: | |
| - tag: intel | |
| build_args: "CXX=mpiicpc ELPA_LIB_DIR=/usr/local/lib ELPA_INCLUDE_DIR=/usr/local/include CEREAL_DIR=/usr/include/cereal OPENMP=ON" | |
| name: "Build with Makefile & Intel compilers" | |
| name: ${{ matrix.name }} | |
| container: ghcr.io/deepmodeling/abacus-${{ matrix.tag }} | |
| steps: | |
| - name: Checkout | |
| uses: actions/checkout@v4 | |
| - name: Build | |
| run: | | |
| export I_MPI_CXX=icpx | |
| cd source | |
| make -j2 ${{ matrix.build_args }} | |