LAMMPS
LAMMPS
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
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".
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- Last Author
- • ctrujillo
- Last Edited
- May 26 2017, 5:19 PM