ADD: CPU sbatch script

.gitea/workflows/q-e_cpu_merlin7.yml

@@ -9,18 +9,9 @@ jobs:
   checkout:
     runs-on: login001
     steps:
-    - name: Source Pmodules profile
+    - name: Checkout
+      uses: actions/checkout@v4
+    - name: Sbatch CPU script
       run: |
-        export SSL_CERT_FILE=/etc/ssl/ca-bundle.pem
+        chmod +x .gitea/workflows/sbatch/q-e_cpu.sbatch
-        export REQUESTS_CA_BUNDLE=/etc/ssl/ca-bundle.pem
+        sbatch .gitea/workflows/sbatch/q-e_cpu.sbatch
-        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

.gitea/workflows/sbatch/q-e_cpu.sbatch

@@ -0,0 +1,26 @@
+#!/bin/bash
+#SBATCH --job-name="qe-scheduled-CPU"
+#SBATCH --output=_scheduler-stdout.txt
+#SBATCH --error=_scheduler-stderr.txt
+#SBATCH --partition=daily
+#SBATCH --nodes=1
+#SBATCH --ntasks-per-node=16
+#SBATCH --time=01:00:00
+#SBATCH --cluster=merlin7
+#SBATCH --wait
+
+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