Difference between revisions of "LAMMPS"
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[[Modules|modules documentation]] | [[Modules|modules documentation]] | ||
===Serial=== | ===Serial=== | ||
| − | *intel | + | *intel/2013 |
*lammps | *lammps | ||
===Parallel (MPI)=== | ===Parallel (MPI)=== | ||
| − | *intel | + | *intel/2013 |
*openmpi | *openmpi | ||
*lammps | *lammps | ||
Revision as of 18:03, 20 August 2015
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/2013
- lammps
Parallel (MPI)
- intel/2013
- openmpi
- lammps
System Variables
- HPC_{{#uppercase:LAMMPS}}_DIR - installation directory
- HPC_LAMMPS_BIN - executable directory
- HPC_LAMMPS_LIB - library directory
Additional Information
PBS Script Examples
See the LAMMPS_PBS page for LAMMPS PBS script examples.