LAMMPS

Material Science
Molecular Modeling and Simulation

Software Description

1

Info

Module Name

lammps

Last Updated On

08/29/2023

Support Level

Secondary Support

Software Access Level

Open Access

Home Page

http://lammps.sandia.gov

Documentation

Software Description

LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator) is a software suite for classical molecular dynamics simulations developed and maintained by Sandia National Labs.

General Linux

To load this module for use in a Linux environment, you can run the command:

module load lammps

Depending on where you are working, there may be more than one version of lammps available. To see which modules are available for loading you can run:

module avail lammps

Agate Modules

Default

7Aug19/user-intel-2018

Other Modules

7Aug19/gnu_openmpi, 7Aug19/user-intel-2018, 15May19/intel2018-release-impi-mkl, 16Mar18/intel2018-release-impi-mkl, 17Feb22/gnu-9.2.0-ompi-4.1.1, 17Feb22/gnu-9.2.0-ompi-4.1.1-cuda-11.2, 24Dec20/gnu-8.2.0-ompi-3.1.6, 28Jun14/intel2015-release-impi-mkl, 30Jul16/intel2016-update3-impi-mkl, 3Mar20/gnu-8.2.0-ompi-3.1.6-gpu, 7Mar17/intel2016-update3-impi-mkl

Mangi Modules

Default

28Jun14

Other Modules

15May19/intel2018-release-impi-mkl, 16Mar18/intel2018-release-impi-mkl, 17Feb22/gnu-9.2.0-ompi-4.1.1, 17Feb22/gnu-9.2.0-ompi-4.1.1-cuda-11.2, 24Dec20/gnu-8.2.0-ompi-3.1.6, 28Jun14/intel2015-release-impi-mkl, 30Jul16/intel2016-update3-impi-mkl, 3Mar20/gnu-8.2.0-ompi-3.1.6-gpu, 7Mar17/intel2016-update3-impi-mkl

Mesabi Modules

Default

7Aug19/user-intel-2018

Other Modules

7Aug19/gnu_openmpi, 7Aug19/user-intel-2018, 15May19/intel2018-release-impi-mkl, 16Mar18/intel2018-release-impi-mkl, 17Feb22/gnu-9.2.0-ompi-4.1.1, 17Feb22/gnu-9.2.0-ompi-4.1.1-cuda-11.2, 24Dec20/gnu-8.2.0-ompi-3.1.6, 28Jun14/intel2015-release-impi-mkl, 30Jul16/intel2016-update3-impi-mkl, 3Mar20/gnu-8.2.0-ompi-3.1.6-gpu, 7Mar17/intel2016-update3-impi-mkl