January 2019

HPC job script example

Submitted by yyamamoto on Tue, 01/08/2019 - 12:48

#/bin/bash
#BSUB -n 12 # Number of cores you are requesting
#BSUB -R "span[ptile=12]" # An option to group together cores per node
#BSUB -W 240:00 # Wall time
#BSUB -q medium_priority # Queue partition
#BSUB -e error.%J.dat # Name of error file
#BSUB -o output.%J.dat # Name of screen out file

touch FODSCFONLY
/shared/mpi/bin/mpirun -np 12 ./nrlmol_exe > print.1