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lammps

LAMMPS

Description

LAMMPS is a classical molecular dynamics code, and an acronym for Large-scale Atomic/Molecular Massively Parallel Simulator.

LAMMPS has potentials for solid-state materials (metals, semiconductors) and soft matter (biomolecules, polymers) and coarse-grained or mesoscopic systems. It can be used to model atoms or, more generically, as a parallel particle simulator at the atomic, meso, or continuum scale.


Available

Version on CSC's Servers

Sisu: Stable version (14 May 2016)


Usage

To get the LAMMPS binary in path, give:

module load lammps

Have a look at the example submit script for Sisu in the installation directory (/appl/chem/lammps/example.job).


Discipline

Biosciences
Chemistry
Physics

References

Citing LAMMPS in your papers

The following JCP paper is the canoncial reference to use for citing LAMMPS. It describes the parallel spatial-decomposition, neighbor-finding, and communcation algorithms used in the code. Please also give the URL of the LAMMPS WWW Site in your paper, namely http://lammps.sandia.gov.

S. Plimpton, Fast Parallel Algorithms for Short-Range Molecular Dynamics, J Comp Phys, 117, 1-19 (1995). (abstract) (pdf) (tar file of figures if they don't display correctly in the PDF file)


Support


Manual

Instructions on how to use LAMMPS can be found on the web page: http://lammps.sandia.gov/index.html