Difference between revisions of "LAMMPS"
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[[Category:Software]][[Category:Molecular Dynamics]] | [[Category:Software]][[Category:Molecular Dynamics]] | ||
{|<!--Main settings - REQUIRED--> | {|<!--Main settings - REQUIRED--> | ||
| − | |{{#vardefine:app| | + | |{{#vardefine:app|LAMMPS}} |
|{{#vardefine:url|http://lammps.sandia.gov}} | |{{#vardefine:url|http://lammps.sandia.gov}} | ||
|{{#vardefine:exe|}} <!--Present manual instructions for running the software --> | |{{#vardefine:exe|}} <!--Present manual instructions for running the software --> | ||
Revision as of 21:18, 6 November 2012
Description
LAMMPS , Large-scale Atomic/Molecular Massively Parallel Simulator, is a molecular dynamic simulator that models an ensemble of particles in liquid, solid, or gaseous state. It is a open source software, written in C++ and developed at Sandia laboratory. It can be used to model atomic, polymeric, biological, metallic, granular, and coarse-grained systems using various force fields and boundary conditions.
Required Modules
Serial
- intel
- lammps
Parallel (MPI)
- intel
- openmpi
- lammps
System Variables
- HPC_{{#uppercase:LAMMPS}}_DIR - installation directory
- HPC_LAMMPS_BIN - executable directory
- HPC_LAMMPS_LIB - library directory
PBS Script Examples
See the LAMMPS_PBS page for LAMMPS PBS script examples.