LAMMPS (Application)


LAMMPS has potentials for soft materials (biomolecules, polymers) and solid-state materials (metals, semiconductors) and coarse-grained systems. It can be used to model atoms or, more generically, as a parallel particle simulator at the mesoscale or continuum levels.

Availability Table

Version Default Module Systems
01.02.2014 (01Feb14) True copper, mosaic, orca, wobbie
09.12.2014 (09Dec14) True copper, mosaic, orca, wobbie
10.02.2015 (10Feb15) True copper, mosaic, orca, wobbie
15.05.2015 (15May15) True copper, mosaic, orca, wobbie
16.02.2016 (16Feb16) True copper, mosaic, orca, wobbie
17.10.2012 (17Oct12) True orca, wobbie
31.03.2017 (31Mar17) True copper, dusky, mosaic, orca, wobbie


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Change Log

o Jul 7, 2017 : Installed lammps/31.03.2017 (31Mar17) on copper, dusky, mosaic, orca, redfin, saw, tembo, wobbie. Includes packages: poems, meam, reax (MBONDDEF 50 and NODMTYMDEF 100), user-colvars, user-awpmd, user-h5md, user-vtk, voronoi, user-phonon, python, compress, mpiio, coreshell, user-smd, user-qmmm, user-omp, user-molfile, user-misc, user-fep, user-cgdna, user-cg-cmm, opt.
o Jun 6, 2017 : Removed broken lammps/31.05.2013 (31May13) from brown, orca, redfin, saw and wobbie.
o Mar 3, 2016 : Installed lammps/16.02.2016 (16Feb16) on brown, copper, mosaic, orca, redfin, saw, tembo and wobbie.
o Jul 31, 2015 : Installed lammps/15.05.2015 on brown, copper, mosaic, orca, redfin, saw, tembo and wobbie. Removed all lammps modules in Availability Table from decommissioned hound cluster.
o May 7, 2015 : Installed lammps/10.02.2015 on brown, copper, hound, mosaic, orca, redfin, saw, tembo and wobbie. This version has the voronoi package built in. As well the following two variables were set before building: MBONDDEF=50 and NODMTYMDEF=100.
o Feb 24, 2015 : Installed lammps/09.12.2014 on brown, hound, mosaic, orca, redfin, saw, tembo and wobbie.
o Jun 23, 2014 : Installed lammps/17.10.2012, 31.05.2013 and 01.02.2014 on wobbie.
o Jun 23, 2014 : Removed lammps/10.08.2010, 27.05.2012 and 02.06.2012 from mako.
o Mar 22, 2014 : Removed lammps/02.06.2012 and lammps/10.08.2010 from guppy. Removed lammps/10.01.15 and lammps/11.02.02 from requin. Removed lammps/27.05.2012 from brown, guppy, hound, orca, redfin and saw. Removed lammps/10.11.2013 from brown.
o Mar 6, 2014 : Installed lammps/01.02.2014 on brown, hound, orca, redfin, saw, wobbie.
o Jun 1, 2013 : Installed 31.05.2013 on brown, hound, orca, redfin and saw. Includes standard lammps binary and a lammps-custom binary with MBONDDEF=50 and NODMTYMDEF=100.
o Oct 20, 2012 : Version 17.10.2012 on orca with lammps and lammps-custom binaries.
o May 24, 2012 : Version 27.05.2012 on sharcnet ib clusters (with lammps-custom binary to redefine MBONDDEF=50 and NODMTYMDEF=100). Removed all lammps versions from kraken, mako and gulper. Removed default version 10.01.15 (15Jan2010 updated 15May10) from requin and (pending) rainbow.
o Feb 03, 2012 : Installed version 06.02.2012 (6Feb2012) build of lammps on centos clusters using default value of MBONDDEF 20 in lib/reax/reax_defs.h for testing purposes.
o Jul 27, 2011 : Removed lammps version 09Jan2009 (Update 27Jun09) from rainbow.
o Feb 09, 2011 : Installed 2Feb2011 intel build of lamps on requin as 11.02.02 module which includes all packages except gpu. Inparticular the reax/c package is included in this release. The previously requested setting of #define MBONDDEF 50 in reax_defs.h is also present.
o Oct 15, 2010 : Removed lammps version “07Jul2009 (Update 14Oct09)” from angel and installed version “10Sep2010 (Update 18Oct10” onto angel, brown, kraken, hound, guppy, mako and goblin.