2.1. Download an executable for Linux
Binaries are available for many different versions of Linux:
2.1.1. Pre-built binary RPMs for Fedora/RedHat/CentOS/openSUSE
Pre-built LAMMPS executables for various Linux distributions can be downloaded as binary RPM files from this site:
There are multiple package variants supporting serial, parallel and Python wrapper versions. The LAMMPS binaries contain all optional packages included in the source distribution except: GPU, KIM, REAX, and USER-INTEL.
Installation instructions for the various versions are here:
The instructions show how to enable the repository in the respective system’s package management system. Installing and updating are then straightforward and automatic.
Thanks to Axel Kohlmeyer (Temple U, akohlmey at gmail.com) for setting up this RPM capability.
2.1.2. Pre-built Ubuntu Linux executables
A pre-built LAMMPS executable suitable for running on the latest Ubuntu Linux versions, can be downloaded as a Debian package. This allows you to install LAMMPS with a single command, and stay up-to-date with the current version of LAMMPS by simply updating your operating system.
To install the appropriate personal-package archive (PPA), do the following once:
sudo add-apt-repository ppa:gladky-anton/lammps sudo apt-get update
To install LAMMPS do the following once:
sudo apt-get install lammps-daily
This downloads an executable named “lammps-daily” to your box, which can then be used in the usual way to run input scripts:
lammps-daily < in.lj
To update LAMMPS to the most current version, do the following:
sudo apt-get update
which will also update other packages on your system.
To get a copy of the current documentation and examples:
sudo apt-get install lammps-daily-doc
which will download the doc files in /usr/share/doc/lammps-daily-doc/doc and example problems in /usr/share/doc/lammps-doc/examples.
Note that you may still wish to download the tarball to get potential files and auxiliary tools.
To un-install LAMMPS, do the following:
sudo apt-get remove lammps-daily
Note that the lammps-daily executable is built with the following sequence of make commands, as if you had done the same with the unpacked tarball files in the src directory:
make yes-all; make no-lib; make openmpi
Thus it builds with FFTW3 and OpenMPI.
Thanks to Anton Gladky (gladky.anton at gmail.com) for setting up this Ubuntu package capability.
2.1.3. Pre-built Gentoo Linux executable
LAMMPS is part of Gentoo’s main package tree and can be installed by typing:
% emerge --ask lammps
Note that in Gentoo the LAMMPS source is downloaded and the package is built on the your machine.
Certain LAMMPS packages can be enable via USE flags, type
% equery uses lammps
Thanks to Nicolas Bock and Christoph Junghans (LANL) for setting up this Gentoo capability.