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Update HSE examples, reduce the testing time, modify some outputs for HSE and LR calculations, reformat the output atomic positions, change 'jd' files in integreate tests to 'README' files #5367

Update HSE examples, reduce the testing time, modify some outputs for HSE and LR calculations, reformat the output atomic positions, change 'jd' files in integreate tests to 'README' files

Update HSE examples, reduce the testing time, modify some outputs for HSE and LR calculations, reformat the output atomic positions, change 'jd' files in integreate tests to 'README' files #5367

Workflow file for this run

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