LAMMPS

By Benjamin P Haley

Purdue University

Run LAMMPS by uploading a data file and command script.

Launch Tool

This tool version is unpublished and cannot be run. If you would like to have this version staged, you can put a request through HUB Support.

Archive Version 1.1
Published on 13 Mar 2015
Latest version: 1.14. All versions

doi:10.4231/D30R9M50T cite this

This tool is closed source.

Category

Tools

Published on

Abstract

This tool allows users who are experienced with LAMMPS to upload a command script and data file for any system and run LAMMPS either as a serial calculation or a parallel run on a HPC system.

Version 1.1: Added entry boxes to allow users to specify the name of the LAMMPS output log file and LAMMPS input data file.  This supports command scripts with variables in log and data file names.

Version 1.0: Initial release

Cite this work

Researchers should cite this work as follows:

  • Benjamin P Haley (2018), "LAMMPS," https://nanohub.org/resources/lammpstool. (DOI: 10.4231/D30R9M50T).

    BibTex | EndNote

Tags

  1. computational materials science
  2. high performance computing (HPC)
  3. LAMMPS
  4. materials science
  5. molecular dynamics (MD)
  6. NCN Group - Materials Science
  7. NEMS nanofluidics
  8. Simulation