lammps

Owned by Indy Siva
Dec 14, 2017
1 min read

 

Introduction

LAMMPS is a classical molecular dynamics code, and 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. The code is designed to be easy to modify or extend with new functionality.

 

Ref: http://lammps.sandia.gov/

Usage

module load misc/lammps/lammps-serial
OR
module load misc/lammps/lammps-mpi
Usage : lmp_serial  OR  lmp_mpi

 

Installation

module list
Currently Loaded Modulefiles:
  1) python/2.7.1-shared   2) library/gmp/6.0.0     3) library/mpfr/3.1.2    4) library/mpc/1.0.2     5) gcc/4.9.3             6) ics/2013

cd /sw/misc/lammps/src/lammps-11Aug17/src
make serial 2>&1 | tee makeSerialLog.txt

make mpi 2>&1 | tee makeMPI.txt
make yes-all 2>&1 | tee makeYesAllmpi.txt

 

Reference

  1. http://lammps.sandia.gov/

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