LAMMPS

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Description

Classical molecular dynamics code, and an acronym for Large-scale Atomic/Molecular Massively Parallel Simulator. LAMMPS has potentials for soft materials (biomolecules, polymers) and solid-state materials (metals, semiconductors) 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.

Availability

Version from December 2013. Freely available to users. Modules:

lammps-nov2015
lammps-dec2013

Licence

GPLv3

Use

Initialize environment with command:

module add lammps-dec2013

Note: There is a significant difference in computing speed of the program between Intel and AMD machine architecture. It runs better on Intel. >> list of MetaVO machines

Notice: This application supports parallel computing (MPI, OpenMP) which can have weird consequences. For more details about parallel computing visit the page How to compute/Parallelization.

what includes lammps binary

The lammps binary includes many compiled parts. You can get their list by issuing command

lammps -help

If you need more components compiled inside, give us feedback.

Documentation

Documentation is available at http://lammps.sandia.gov/doc/Manual.html, tutorials are here, description of commands is here.

Program manager

meta@cesnet.cz

Homepage

http://lammps.sandia.gov/