Difference between revisions of "LAMMPS"

Revision as of 15:54, 19 September 2014

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

modules documentation

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

Additional Information

Building a LAMMPS binary

PBS Script Examples

See the LAMMPS_PBS page for LAMMPS PBS script examples.

@@ Line 5: / Line 5: @@
 |{{#vardefine:app|LAMMPS}}
 |{{#vardefine:url|http://lammps.sandia.gov}}
-|{{#vardefine:exe|}} <!--Present manual instructions for running the software -->
+|{{#vardefine:exe|1}} <!--Present manual instructions for running the software -->
 |{{#vardefine:conf|}} <!--Enable config wiki page link - {{#vardefine:conf|1}} = ON/conf|}} = OFF-->
 |{{#vardefine:pbs|1}} <!--Enable PBS script wiki page link-->
@@ Line 38: / Line 38: @@
 <!--Additional-->
 {{#if: {{#var: exe}}|==Additional Information==
-WRITE INSTRUCTIONS ON RUNNING THE ACTUAL BINARY|}}
+[[Lammps-build|Building a LAMMPS binary]]
+|}}
 {{#if: {{#var: conf}}|==Configuration==
 See the [[{{PAGENAME}}_Configuration]] page for {{#var: app}} configuration details.|}}