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home > research > biochemistry > lammps
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LAMMPS

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Overview

LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator) is a classical molecular dynamics code. LAMMPS models an ensemble of particles in a liquid, solid or gaseous state. It can be used to model atomic, polymeric, biological, metallic or granular systems.

The HPCx system currently has the 2008 (dated 21 May 2008) version of LAMMPS installed with all patches up to June 26th 2008 included. Older versions of LAMMPS are availale on request. Users of earlier versions of LAMMPS should be aware that the input file formats have changed slightly so minor modifications to input files may be required. Please see the LAMMPS WWW site for full details.

Accessing LAMMPS

HPCx users may access LAMMPS. To access this package you should mail the HPCx help desk and we will give you access to the executable.

LAMMPS holds a capability rating for good scalability at the gold level. This makes LAMMPS calculations egligible for a discount of 5% when running on 256 processors, 15% discount on 512 processors and a 30% discount on 1024 processors. Users from projects not yet set up for a LAMMPS discount should contact the HPCx help desk.

LAMMPS documentation

A PDF copy of the manual for LAMMPS can be found here

Further Information

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http://www.hpcx.ac.uk/research/biochemistry/lammps.html contact email - www@hpcx.ac.uk © UoE HPCX Ltd