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run Test CUDA in container #2892

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merged 9 commits into from
Oct 5, 2023
Merged

run Test CUDA in container #2892

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5a34184
run Test CUDA in container
njzjz Oct 3, 2023
3354e82
Update test_cuda.yml
njzjz Oct 3, 2023
fe54bde
use ubuntu image
njzjz Oct 3, 2023
b748719
install wget
njzjz Oct 3, 2023
e11450d
use nvidia image
njzjz Oct 3, 2023
3ae2da6
fix cmd
njzjz Oct 3, 2023
06f4eb3
install git
njzjz Oct 3, 2023
42bf3a8
not clear where pytest is installed...
njzjz Oct 3, 2023
67511be
use $GITHUB_WORKSPACE
njzjz Oct 3, 2023
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23 changes: 16 additions & 7 deletions .github/workflows/test_cuda.yml
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Original file line number Diff line number Diff line change
Expand Up @@ -9,13 +9,19 @@ jobs:
test_cuda:
name: Test Python and C++ on CUDA
runs-on: nvidia
# https://github.com/deepmodeling/deepmd-kit/pull/2884#issuecomment-1744216845
container:
image: nvidia/cuda:11.8.0-cudnn8-devel-ubuntu22.04
options: --gpus all
if: github.repository_owner == 'deepmodeling' && github.event.label.name == 'Test CUDA' || github.event_name == 'workflow_dispatch'
steps:
- name: Make sudo and git work
run: apt-get update && apt-get install -y sudo git
- uses: actions/checkout@v4
- uses: actions/setup-python@v4
with:
python-version: '3.11'
cache: 'pip'
# cache: 'pip'
- name: Setup MPI
uses: mpi4py/setup-mpi@v1
with:
Expand All @@ -26,14 +32,17 @@ jobs:
&& sudo dpkg -i cuda-keyring_1.0-1_all.deb \
&& sudo apt-get update \
&& sudo apt-get -y install cuda-11-8 libcudnn8=8.9.5.*-1+cuda11.8
if: false # skip as we use nvidia image
- name: Set PyPI mirror for Aliyun cloud machine
run: python -m pip config --user set global.index-url https://mirrors.aliyun.com/pypi/simple/
- run: python -m pip install -U "pip>=21.3.1,!=23.0.0"
- run: pip install -v -e .[gpu,test,lmp,cu11] "ase @ https://github.com/rosswhitfield/ase/archive/edd03571aff6944b77b4a4b055239f3c3e4eeb66.zip"
- run: python -m pip install -v -e .[gpu,test,lmp,cu11] "ase @ https://github.com/rosswhitfield/ase/archive/edd03571aff6944b77b4a4b055239f3c3e4eeb66.zip"
env:
DP_BUILD_TESTING: 1
DP_VARIANT: cuda
CUDA_PATH: /usr/local/cuda-11.8
- run: dp --version
- run: pytest -s --cov=deepmd --cov=deepmd_cli source/tests --durations=0
- run: python -m pytest -s --cov=deepmd --cov=deepmd_cli source/tests --durations=0
- run: source/install/test_cc_local.sh
env:
OMP_NUM_THREADS: 1
Expand All @@ -45,10 +54,10 @@ jobs:
DP_USE_MPICH2: 1
CUDA_PATH: /usr/local/cuda-11.8
- run: |
export LD_LIBRARY_PATH=${{ github.workspace }}/dp_test/lib:$CUDA_PATH/lib64:$LD_LIBRARY_PATH
export PATH=${{ github.workspace }}/dp_test/bin:$PATH
pytest -s --cov=deepmd source/lmp/tests
pytest -s --cov=deepmd source/ipi/tests
export LD_LIBRARY_PATH=$GITHUB_WORKSPACE/dp_test/lib:$CUDA_PATH/lib64:$LD_LIBRARY_PATH
export PATH=$GITHUB_WORKSPACE/dp_test/bin:$PATH
python -m pytest -s --cov=deepmd source/lmp/tests
python -m pytest -s --cov=deepmd source/ipi/tests
env:
OMP_NUM_THREADS: 1
TF_INTRA_OP_PARALLELISM_THREADS: 1
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