https://lammps.sandia.gov/download.

html#ubuntu

LAMMPS WWW Site

Download LAMMPS

There are several ways to get the LAMMPS software.

Source tarball: You can follow the download instructions on this page
to grab a source tarball, and then follow the instructions in Section
Getting Started of the LAMMPS manual to use "make" and build an
executable for any machine.
Git or SVN: If you have Git or Subversion (SVN) installed on your
machine, you can use checkout and update commands to get the
LAMMPS files once and then stay current. You then build LAMMPS from
source as you would with the tarball. Both Git and SVN access is
provided by GitHub. Further instructions for Git and SVN access are
below.
Pre-built Linux executables: For Ubuntu it is a personal package
archive (PPA). For Fedora/RedHat/CentOS/openSUSE it is a binary RPM.
The executable includes all LAMMPS packages that do not use
additional libraries from the lib directory (e.g. MEAM, GPU, etc) and is
kept up-to-date daily. Further instructions on this are below for Ubuntu
and RPMs.
Automated Mac build: OS X users can use the popular package
manager Homebrew to download, build, and install LAMMPS, the
Python module, and additional files and resources (i.e. potential files,
tools, etc). Further instructions on this are below for OS X with
Homebrew.
Pre-built Windows executables: Windows users can download an
installer package from this site. Installers for different dated versions of
LAMMPS are available, either as 32-bit and 64-bit variants. The most
current installer package is updated several times per month, more
often than the "stable" version listed below as a source download. The
installer doc page also describes how to run the executables in serial or
parallel, using MPICH (which you must also install). More details are
described below in the Windows installer section.

Download a tarball
Git checkout and update
SVN checkout and update
Pre-built Ubuntu executables
Pre-built binary RPMs for Fedora/RedHat/CentOS/openSUSE
Pre-built Gentoo executable
OS X with Homebrew
Windows installer package
Applying patches

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All versions of LAMMPS are distributed under the terms of the GNU Public
license. The earlier Fortran versions are no longer under active development.

To determine what version of LAMMPS you already have, or to stay up-to-

date as features or bug-fixes are made to LAMMPS, see this page and the
description below about applying patches.

You can download older versions of LAMMPS, by going to this page and
selecting the version you want, based on the date in the tarball file name.
Not every version is available, because LAMMPS is updated frequently, and
we have limited space on our WWW server.

Older parallel MD codes (ParaDyn, LJ) and the Python-based Pizza.py

package, which provides pre- and post-processing and viz tools for LAMMPS,
are available for download from this page.

Download a tarball

Select the code you want, click the "Download Now" button, and your
browser should download a gzipped tar file. Unpack it with the following
commands, and look for a README to get you started.

tar -xzvf file.tar.gz

There have been ~285,500 downloads of LAMMPS from Sept 2004 thru Dec
2017.

LAMMPS molecular dynamics package:

LAMMPS --- Stable version (16 Mar 2018) - Recent C++ version source
tarball, GPL license, ~124 Mb. Includes all bug fixes and new features
described on this page, up to the date of the most recent stable release.
LAMMPS --- Development version - Most current C++ version source
tarball, GPL license, ~124 Mb. Includes all bug fixes and new features
described on this page.
LAMMPS 2001 --- older f90 version source tarball, GPL license, 1.1 Mb,
last updated 17 Jan 2005
LAMMPS 99 --- older f77 version source tarball, GPL license, 840 Kb

No package

Download Now

Git checkout and update

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You must have Git installed on your system to communicate with the public
Git server for LAMMPS.

IMPORTANT NOTE: As of Oct 2016, the official home of public LAMMPS

development is on GitHub at https://github.com/lammps/lammps. This Git
repository is kept synchronized with the internal SVN server at Sandia. The
previously advertised LAMMPS git repositories on git.lammps.org and
bitbucket.org are now deprecated, may not be up-to-date, and may go away
at any time.

You can follow LAMMPS development on 3 different Git branches:

stable : this branch is updated with every stable release

unstable : this branch is updated with every patch release
master : this branch continuously follows ongoing development

To access the Git repositories on your box, use the clone command to create
a local copy of the LAMMPS repository with a command like:

git clone -b unstable https://github.com/lammps/lammps.git mylammps

where "mylammps" is the name of the directory you wish to create on your
machine and "unstable" is one of the 3 branches listed above. (Note that you
actually download all 3 branches; you can switch between them at any time
using "git checkout ".)

Once the command completes, your directory will contain the same files as if
you unpacked a current LAMMPS tarball, with two exceptions:

1) No LAMMPS packages are initially installed in the src dir (a few packages
are installed by default in the tarball src dir).

2) The HTML documentation files are not included.

You can install whichever packages you wish before building LAMMPS; type
"make package" from the src dir to see the options, and this section of the
manual for a discussion of packages. The current HTML documentation can
be fetched from the web site by typing "make fetch" in the doc directory. Or
it can be generated from the content provided in doc/src by typing "make
html" from the the doc directory.

After initial cloning, as bug fixes and new features are added to LAMMPS, as
listed on this page, you can stay up-to-date by typing the following Git
commands from within the "mylammps" directory:

git checkout unstable # not needed if you always stay in this branch
git pull

Or:

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git checkout stable

git pull

Or:

git checkout master

git pull

Doing a "pull" will not change any files you have added to the LAMMPS
directory structure. It will also not change any existing LAMMPS files you
have edited, unless those files have changed in the repository. In that case,
Git will attempt to merge the new repository file with your version of the file
and tell you if there are any conflicts. See the Git documentation for details.

If you want to access a particular previous release version of LAMMPS, you

can instead "checkout" any version with a published tag. See the output of
"git tag -l" for the list of tags. The Git command to do this is as follows.

git checkout tagID

Stable versions and what tagID to use for a particular stable version are
discussed on this page. Note that this command will print some warnings,
because in order to get back to the latest revision and to be able to update
with "git pull" again, you first will need to first type "git checkout unstable"
(or check out any other desired branch).

Once you have updated your local files with a "git pull" (or "git checkout"),
you still need to re-build LAMMPS if any source files have changed. To do
this, you should cd to the src directory and type:

make purge # remove any deprecated src files

make package-update # sync package files with src files
make foo # re-build for your machine (mpi, serial, etc)

just as described below, after a patch has been installed.

IMPORTANT NOTE: If you wish to edit/change a src file that is from a

package, you should edit the version of the file inside the package sub-
directory with src, then re-install the package. The version in the src dir is
merely a copy and will be wiped out if you type "make package-update".

IMPORTANT NOTE: The GitHub servers support both the "git://" and
"https://" access protocols for anonymous read-only access. If you have a
correspondingly configured GitHub account, you may also use SSH with
"git@github.com:/lammps/lammps.git".

The LAMMPS GitHub project is managed by Christoph Junghans (LANL,

junghans at lanl.gov), Axel Kohlmeyer (Temple U, akohlmey at gmail.com)
and Richard Berger (Temple U, richard.berger at temple.edu).

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SVN checkout and update

You must have the Subversion (SVN) client software installed on your system
to communicate with the public SVN server for LAMMPS.

IMPORTANT NOTE: As of Oct 2016, SVN support is now implemented via a

git-to-subversion interface service on GitHub and no longer through a mirror
of the internal SVN repository at Sandia.

You can follow LAMMPS development on 3 different SVN branches:

stable : this branch is updated with every stable release

unstable : this branch is updated with every patch release
master : this branch continuously follows ongoing development

The corresponding command lines to do an initial checkout are as follows.

(Note that unlike Git, you must perform a separate checkout into a unique
directory for each of the 3 branches.)
svn checkout https://github.com/lammps/lammps.git/branches/unstable mylammps

Or:

svn checkout https://github.com/lammps/lammps.git/branches/stable mylammps

Or:

svn checkout https://github.com/lammps/lammps.git/trunk mylammps

where "mylammps" is the name of the directory you wish to create on your
machine.

Once the command completes, your directory will contain the same files as if
you unpacked a current LAMMPS tarball, with two exceptions:

1) No LAMMPS packages are initially installed in the src dir (a few packages
are installed by default in the tarball src dir).

2) The HTML documentation files are not included.

You can install whichever packages you wish before building LAMMPS; type
"make package" from the src dir to see the options, and this section of the
manual for a discussion of packages. The current HTML documentation can
be fetched from the web site by typing "make fetch" in the doc directory. Or
it can be generated from the content provided in doc/src by typing "make
html" from the the doc directory.

After initial checkout, as bug fixes and new features are added to LAMMPS,
as listed on this page, you can stay up-to-date by typing the following SVN
commands from within the "mylammps" directory:

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svn update

You can also check if there are any updates by typing:

svn -qu status

Doing an "update" will not change any files you have added to the LAMMPS
directory structure. It will also not change any existing LAMMPS files you
have edited, unless those files have changed in the repository. In that case,
SVN will attempt to merge the new repository file with your version of the
file and tell you if there are any conflicts. See the SVN documentation for
details.

Please refer to the subversion client support help pages on GitHub if you
want to use advanced features like accessing particular previous release
versions via tags.

Once you have updated your local files with an "svn update" (or "svn co"),
you still need to re-build LAMMPS if any source files have changed. To do
this, you should cd to the src directory and type:

make purge # remove any deprecated src files

make package-update # sync package files with src files
make foo # re-build for your machine (mpi, serial, etc)

just as described below, after a patch has been installed.

IMPORTANT NOTE: If you wish to edit/change a src file that is from a

package, you should edit the version of the file inside the package sub-
directory with src, then re-install the package. The version in the src dir is
merely a copy and will be wiped out if you type "make package-update".

The LAMMPS GitHub project is managed by Christoph Junghans (LANL,

junghans at lanl.gov), Axel Kohlmeyer (Temple U, akohlmey at gmail.com)
and Richard Berger (Temple U, richard.berger at temple.edu).

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:

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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.

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:

http://rpm.lammps.org

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.

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Installation instructions for the various versions are here:

http://rpm.lammps.org/install.html

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.

Pre-built Gentoo Linux executable

LAMMPS is now 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

for details.

Thanks to Nicolas Bock and Christoph Junghans (LANL) for setting up this
Gentoo capability.

OS X with Homebrew

LAMMPS can be downloaded, built, and configured for OS X easily with

Homebrew. Only four of the LAMMPS packages are unavailable at this time
because of additional needs not yet met: KIM, GPU, USER-INTEL, USER-ATC.

After installing Homebrew, you can install LAMMPS on your system with the
following commands:

% brew tap homebrew/science

% brew install lammps # serial version
% brew install lammps --with-mpi # mpi support

This will install the executable "lammps", a python module named "lammps",
and additional resources with all the standard packages. To get the location
of the additional resources type this:

% brew info lammps

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This command also tells you additional installation options available. The
user-packages are available as options, just install them like this example for
the USER-OMP package:

% brew install lammps --enable-user-omp

It is usually best to install LAMMPS with the most up to date source files,
which can be done with the "--HEAD" option:

% brew install lammps --HEAD

To re-install the LAMMPS HEAD, run this command occasionally (make sure
to use the desired options).

% brew install --force lammps --HEAD ${options}

Once LAMMPS is installed, you can test the installation with the Lennard-
Jones benchmark file:

% brew test lammps -v

If you have problems with the installation you can post issues to this link.

Thanks to Derek Thomas (derekt at cello.t.u-tokyo.ac.jp) for setting up the

Homebrew capability.

Windows installer package

Pre-compiled Windows installers which install LAMMPS executables on a

Windows system can be downloaded from this site:

http://rpm.lammps.org/windows.html

Note that each installer package has a date in its name, which corresponds
to the LAMMPS version of the same date. Installers for current and older
versions of LAMMPS are available. 32-bit and 64-bit installers are available,
and each installer contains both a serial and parallel executable. The installer
site also explains how to install the Windows MPI package (MPICH2 from
Argonne National Labs), needed to run in parallel.

The LAMMPS binaries contain all optional packages included in the source
distribution except: KIM, REAX, KOKKOS, USER-INTEL, and USER-QMMM.
The serial version also does not include the MPIIO and USER-LB packages.
GPU support is provided for OpenCL.

The installer site also has instructions on how to run LAMMPS under
Windows, once it is installed, in both serial and parallel.

When you download the installer package, you run it on your Windows

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machine. It will then prompt you with a dialog, where you can choose the
installation directory, unpack and copy several executables, potential files,
documentation pdfs, selected example files, etc. It will then update a few
system settings (e.g. PATH, LAMMPS_POTENTIALS) and add an entry into
the Start Menu (with references to the documentation, LAMMPS homepage
and more). From that menu, there is also a link to an uninstaller that
removes the files and undoes the environment manipulations.

Note that to update to a newer version of LAMMPS, you should typically

uninstall the version you currently have, download a new installer, and go
thru the install procedure described above. I.e. the same procedure for
installing/updating most Windows programs. You can install multiple versions
of LAMMPS (in different directories), but only the executable for the last-
installed package will be found automatically, so this should only be done for
debugging purposes.

Thanks to Axel Kohlmeyer (Temple U, akohlmey at gmail.com) for setting up

this Windows capability.

Applying patches

This page describes individual new features and bug fixes for LAMMPS. Each
entry gives a "patch file" and a "list of changed files". The latter tells you
what files the patch modifies in case you have edited those files yourself.

Download the patch file. You may have to shift-click in your browser to
download the file instead of display it. Patch files have names like
patch.12Dec04.
Put the patch file in your top-level LAMMPS directory, where the
LICENSE and README files are.
Apply the patch by typing the following command your top-level
LAMMPS directory, where the redirected file is the name of the patch
file.
patch -bp1 < patch.12Dec04

A list of updated files print out to the screen. The -b switch creates
backup files of your originals (e.g. src/force.cpp.orig), so you can
manually undo the patch if something goes wrong.
Type the following from the src directory, to enforce consistency
between the src and package directories. This is OK to do even if you
don't use one or more packages. If you are applying several patches, you
only need to type this once at the end.
make package-update

Re-build LAMMPS via the "make" command and you will have the bug-
fix or new feature.

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IMPORTANT NOTE: If you wish to edit/change a src file that is from a

package, you should edit the version of the file inside the package sub-dir of
src, then re-install the package. The version in the src dir is merely a copy
and will be wiped out if you type "make package-update".

IMPORTANT NOTE: In rare cases, a patch will remove or rename a file in a

package directory, which then becomes deprecated if it is also in your src
directory. This can cause a problem with your re-build. If this happens, type
"make purge" which should remove the deprecated src file(s).

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