Running LAMMPS on HPC systems: Discussion

Abstraction Draft

Sample Submission Script

Example.

#!/bin/bash -x
#SBATCH --account=youraccount
#SBATCH --nodes=1
#SBATCH --ntasks-per-node=1
#SBATCH --output=mpi-out.%j
#SBATCH --error=mpi-err.%j
#SBATCH --time=00:15:00
#SBATCH --partition=devel

Submit your job using the following;

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