abacus-develop/.github/workflows/cuda.yml at develop · sunml99/abacus-develop · GitHub

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name: CUDA Test

on:
  workflow_dispatch:

jobs:
  start-runner:
    name: Start self-hosted EC2 runner
    runs-on: ubuntu-latest
    outputs:
      label: ${{ steps.start-ec2-runner.outputs.label }}
      ec2-instance-id: ${{ steps.start-ec2-runner.outputs.ec2-instance-id }}
    steps:
      - name: Configure AWS credentials
        uses: aws-actions/configure-aws-credentials@v1
        with:
          aws-access-key-id: ${{ secrets.AWS_ACCESS_KEY_ID }}
          aws-secret-access-key: ${{ secrets.AWS_SECRET_ACCESS_KEY }}
          aws-region: us-east-2
      - name: Start EC2 runner
        id: start-ec2-runner
        uses: machulav/ec2-github-runner@v2
        with:
          mode: start
          github-token: ${{ secrets.PAT }}
          ec2-image-id: ami-04cd9fec4a7a39019
          ec2-instance-type: g4dn.xlarge
          subnet-id: subnet-72d3e53e
          security-group-id: sg-06b0c93122c08aeab

  test:
    name: Do the job on the runner
    needs: start-runner # required to start the main job when the runner is ready
    runs-on: ${{ needs.start-runner.outputs.label }} # run the job on the newly created runner
    container:
      image: ghcr.io/deepmodeling/abacus-cuda
      options: --gpus all
    steps:
      - name: Checkout
        uses: actions/checkout@v3
      - name: Build cuSolver
        run: |
          nvidia-smi
          cmake -B build -DUSE_CUSOLVER_LCAO=ON
          cmake --build build -j4
          cmake --install build
          cmake -B build -DBUILD_TESTING=ON
          cmake --build build -j4 --target hsolver_diago
      - name: Test e2e
        run: |
          export LD_LIBRARY_PATH=${LD_LIBRARY_PATH}:/usr/local/cuda/lib64
          cd tests/integrate
          echo "ks_solver cusolver" >> ./270_NO_MD_2O/INPUT
          ./Autotest.sh -r 270_NO_MD_2O
      - name: Test UT
        run: |
          cd source/src_pdiag/test/
          cp ../../../build/source/src_pdiag/test/hsolver_diago .
          ./hsolver_diago
          bash diago_parallel_test.sh
      - name: Test performance
        run: |
          cd examples/performance
          ls -d P1*lcao* > allcase
          sed -i '/ks_solver/d' P1*lcao*/INPUT
          sed -i '$a ks_solver cusolver' P1*lcao*/INPUT
          bash run.sh
          cat sumall.dat


  stop-runner:
    name: Stop self-hosted EC2 runner
    needs:
      - start-runner # required to get output from the start-runner job
      - test # required to wait when the main job is done
    runs-on: ubuntu-latest
    if: ${{ always() }} # required to stop the runner even if the error happened in the previous jobs
    steps:
      - name: Configure AWS credentials
        uses: aws-actions/configure-aws-credentials@v1
        with:
          aws-access-key-id: ${{ secrets.AWS_ACCESS_KEY_ID }}
          aws-secret-access-key: ${{ secrets.AWS_SECRET_ACCESS_KEY }}
          aws-region: us-east-2
      - name: Stop EC2 runner
        uses: machulav/ec2-github-runner@v2
        with:
          mode: stop
          github-token: ${{ secrets.PAT }}
          label: ${{ needs.start-runner.outputs.label }}
          ec2-instance-id: ${{ needs.start-runner.outputs.ec2-instance-id }}