Feature: LR-TDDFT absorption spectrum in velocity gauge #4302
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 | |
run: | | |
cd tests/integrate | |
bash Autotest.sh -n 2 -f CASES_GPU.txt |