LAMMPS is a open source code able to run single processors or in parallel using message-passing techniques and a spatial-decomposition of the simulation domain. It has potentials for solid-state materials, soft matter, and coarse-grained systems. LAMMPS can be used to model atoms or as a parallel particle simulator at the atomic, meso, or continuum scale.
- Log into Kestrel in the Konsole or terminal prompt with ssh -Y <username>@Kestrel.boisestate.edu
- Type createSLURMscript at the prompt
- Select option 3 for LAMMPS job creation
- Enter the desired filename for your job (ex: lammps_job)
- Enter the name of your SLURM job (ex: lammps_job)
- Enter batch for the SLURM job
- Enter the requested number of Nodes (1-32)
- Enter the requested number of Processors per Node (2-16)
- Enter the name of the Lammps input file you created.
NOTE: The auto-generated LAMMPS slurm script that is created needs to be in the same directory as the LAMMPS input file before submitting to sbatch or the file will not be found.
- Type sbatch <filename> to start your job