LAMMPS

Updated 2,771 Days AgoPublic

Actions

LAMMPS on CFAM

To run LAMMPS on CFAM create your LAMMPS input file and the Submit Script shown below. Add both to a directory in your user folder.

Submit Script

#!/bin/bash
#SBATCH -n 10

cd /home/username/currentdirectory
module load mvapich2-2.1/intel
mpirun -np 10 /opt/lammps/bin/lmp_icc_cfam_basic < mylammpsfile.txt > mylammpsoutput.out

Running Your Job

From the terminal window, use the cd command to enter the directory of your submit script and run the following command:

sbatch LAMMPS_Submit_Script.sh

This will run your job and put your output file in the currentdirectory.