Add the submission scripts

project/src/diffusion.in

-64 80
+6400 80000
 0.4 -0.4
 1000

project/src/submit-all.sh

+#!/bin/bash
+
+NODES="1 2 4 8"
+OMP_THREADS="1 2 4 10 20"
+THREADS_PER_NODE=20
+
+for n in $NODES 
+do
+    for t in $OMP_THREADS
+    do 
+	TASKS_PER_NODE=$(( $THREADS_PER_NODE / $t ))
+	CPUS_PER_TASK=$t
+	echo $n $t $TASKS_PER_NODE
+	sbatch -N $n \
+	    --tasks-per-node=$TASKS_PER_NODE \
+	    --cpus-per-task=$CPUS_PER_TASK \
+	    ./submit.sh 
+    done
+done

project/src/submit.sh

+#!/bin/bash
+#SBATCH -t 00:05:00
+#SBATCH -J diffusion
+#SBATCH -o diffusion_mpi_%j.out
+#SBATCH -e diffusion_mpi_%j.err
+#SBATCH -A computehpc
+
+cat $0
+module purge
+module load foss/2019b
+
+OUTPUT_FILE="results.csv"
+
+# OpenMP setup
+export OMP_NUM_THREADS=$SLURM_CPUS_PER_TASK
+export OMP_PROC_BIND=TRUE
+
+mpiexec  --map-by ppr:$SLURM_NTASKS_PER_NODE:node:PE=$SLURM_CPUS_PER_TASK ./diffusion | tee -a $OUTPUT_FILE