Use Au-Si MEAM Potential in LAMMPS

Use Au-Si MEAM Potential in LAMMPS

Yanming wang, Seunghwa Ryu and Wei Cai

June, 2012

This tutorial explains how to use Au-Si MEAM potential in LAMMPS on a cluster like mc2. It starts with the installation of LAMMPS on mc2, then talks about the compiling of the Au-Si MEAM potential. This tutorial also includes a test case to make sure the result from LAMMPS with this MEAM potential is consistent with that from MD++.

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Installing LAMMPS on mc2

LAMMPS is a classical molecular dynamics code for large-scale atomic/molecular massively parallel simulation. On mc2, you can get LAMMPS from our SVN server using the following commands.

mkdir Codes
cd Codes
mkdir LAMMPS.svn
cd LAMMPS.svn
svn co https://micro.stanford.edu/svn/LAMMPS/ ./

Typing the following SVN command from within the "LAMMPS.svn" directory, you can update your LAMMPS package.

svn update