ADD: QE CPU workflow

This commit is contained in:
2025-05-12 16:53:36 +02:00
parent 27908ae6e1
commit 797ce481dc

View File

@ -0,0 +1,26 @@
name: QE-CPU Merlin7 Scheduler
run-name: QE-CPU Merlin7 Scheduler
on:
workflow_dispatch:
schedule:
- cron: "0 8 * * *"
jobs:
checkout:
runs-on: login001
steps:
- name: Source Pmodules profile
run: |
export SSL_CERT_FILE=/etc/ssl/ca-bundle.pem
export REQUESTS_CA_BUNDLE=/etc/ssl/ca-bundle.pem
PMODULES_VERSION='2.0.0.2'
source /opt/psi/config/profile.bash
module use Spack
module use unstable
module load gcc/12.3 openmpi/main-syah fftw/3.3.10.6-omp hdf5/1.14.5-t46c openblas/0.3.29-omp cmake/3.31.6-oe7u
git clone https://gitlab.com/QEF/q-e.git
cd q-e
mkdir build
cd build
cmake -DQE_ENABLE_MPI:BOOL=ON -DQE_ENABLE_OPENMP:BOOL=ON -DCMAKE_C_COMPILER:STRING=mpicc -DCMAKE_Fortran_COMPILER:STRING=mpif90 -DQE_ENABLE_HDF5:BOOL=ON ..
make -j 16