runcase

#!/bin/bash

# example MPI job script for SLURM

# set max wallclock time
#SBATCH --time=48:00:00

#Job name
#SBATCH --job-name=1D_H2_p07

#Job queue
#SBATCH --partition=defq
####SBATCH --partition=bigmem
####SBATCH --mem=128G
##SBATCH --exclusive


#Cost code
#SBATCH -A nccstrfm


# SLURM defaults to the directory you were working in when you submitted the job.
# Output files are also put in this directory. To set a different working directory add:

##SBATCH --workdir=/nobackup/my_directory

# Tell SLURM if you want to be emailed when your job starts, ends, etc.
# Currently mail can only be sent to addresses @ncl.ac.uk

#SBATCH --mail-type=ALL

#SBATCH --mail-user=vishnu.mohan@ncl.ac.uk

#number of cores used
#SBATCH --nodes=1
#SBATCH --ntasks=40

#unset I_MPI_PMI_LIBRARY
#set SLURM_MPI_TYPE=pmi2
# use Intel programming tools
#module load intel
#
# SLURM recommend using srun instead of mpirun for better job control.
#mpirun -np 480 ./senga
srun -n 40 --mpi=pmi2 ./senga2