Feature: Support cube format real-space wave function output for Plane Wave basis set
#5471
Workflow file for this run
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| name: CUDA Test | |
| on: | |
| workflow_dispatch: | |
| pull_request: | |
| concurrency: | |
| group: ${{ github.workflow }}-${{ github.ref }} | |
| cancel-in-progress: true | |
| jobs: | |
| test: | |
| name: Test on CUDA Build | |
| runs-on: nvidia | |
| if: github.repository_owner == 'deepmodeling' | |
| container: | |
| image: ghcr.io/deepmodeling/abacus-cuda | |
| volumes: | |
| - /tmp/ccache:/github/home/.ccache | |
| options: --gpus all | |
| steps: | |
| - name: Checkout | |
| uses: actions/checkout@v4 | |
| with: | |
| submodules: recursive | |
| - name: Install Ccache | |
| run: | | |
| sudo apt-get update | |
| sudo apt-get install -y ccache | |
| - name: Build | |
| run: | | |
| nvidia-smi | |
| cmake -B build -DUSE_CUDA=ON -DBUILD_TESTING=ON | |
| cmake --build build -j4 | |
| cmake --install build | |
| - name: Test 11_PW_GPU | |
| run: | | |
| cd tests/11_PW_GPU | |
| bash ../integrate/Autotest.sh -n 2 -f CASES_GPU.txt | |
| - name: Test 12_NAO_Gamma_GPU | |
| run: | | |
| cd tests/12_NAO_Gamma_GPU | |
| bash ../integrate/Autotest.sh -n 2 -f CASES_GPU.txt | |
| - name: Test 13_NAO_multik_GPU | |
| run: | | |
| cd tests/13_NAO_multik_GPU | |
| bash ../integrate/Autotest.sh -n 2 -f CASES_GPU.txt | |
| - name: Test 15_rtTDDFT_GPU | |
| run: | | |
| cd tests/15_rtTDDFT_GPU | |
| bash ../integrate/Autotest.sh -n 2 -f CASES_GPU.txt | |
| - name: Test 16_SDFT_GPU | |
| run: | | |
| cd tests/16_SDFT_GPU | |
| bash ../integrate/Autotest.sh -n 2 -f CASES_GPU.txt |