Lammps

Software Description:

Large-scale Atomic/Molecular Massively Parallel Simulator. LAMMPS is a classical molecular dynamics code with a focus on materials modeling. It's an acronym for Large-scale Atomic/Molecular Massively Parallel Simulator.

LAMMPS has potentials for solid-state materials (metals, semiconductors) and soft matter (biomolecules, polymers) 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.

LAMMPS runs on single processors or in parallel using message-passing techniques and a spatial-decomposition of the simulation domain. Many of its models have versions that provide accelerated performance on CPUs, GPUs, and Intel Xeon Phis.

Software Home Page: Lammps

Software Documentation:

To run this software in a Linux environment on LCC,
run the command(s):

#You need to load all module(s) on any one of the lines below before the "ccs/lammps/5Jun19" module is available to load.

intel/18.0.3.222 openmpi3/3.1.4
intel/19.0.3.199 openmpi3/3.1.4
intel/19.0.4.243 openmpi3/3.1.4

Command: (If intel/19.0.4.243 is loaded by default)

module swap impi openmpi3/3.1.4
module load ccs/lammps/5Jun19


#To unload module
module unload ccs/lammps/5Jun19