#!/bin/bash

#SBATCH --mail-user=torben.nielsen@ess.eu
#SBATCH --mail-type=ALL

#SBATCH --job-name=Sjob2
#SBATCH --output=Sjob2.slurm.out
#SBATCH --error=Sjob2.slurm.err
#SBATCH --partition=quark

##SBATCH --nodes=4
##SBATCH -n 32
##SBATCH -n 64
##SBATCH -n 128
##SBATCH -n 256
#SBATCH -n 512

##SBATCH --exclusive 
#SBATCH --time=1:30:00
##SBATCH --exclude=r2n21

# the --exclusive is needed when running OpenMPI
# it will allocate 12 cores per node, in all  nodes x 12 cores 
##SBATCH --exclusive 



source /etc/profile.d/modules.sh
module load openmpi/4.0_gcc831
module load nexus/4.4.3_hdf5_1.10.5

mpirun NMX.out  --format=NeXus -d 5E11_quark --ncount=5E11 frac=1


#env >> env.slurm.txt
scontrol show jobid=$SLURM_JOB_ID >> Sjob1.env.slurm.txt