This repository is hosting pre-compiled RPM packages of the LAMMPS molecular dynamics simulation software package. The binaries are built using the LAMMPS-ICMS branch git repository. The packages are configured to depend only on packages that are part of the respective distributions, so dependencies should be resolved automatically when using yum to install the packages. The LAMMPS binaries contain all optional packages included in the source distribution except: GPU, KIM, KOKKOS, REAX, USER-CUDA, USER-INTEL, USER-H5MD, and USER-QUIP since those depend on libraries that do not exist as regular RPM packages across all supported distributions and/or where the license is incompatible with including them in a binary distribution like this one. In addition the Fortran variant of ReaxFF support (REAX package) has been omitted, since this has long been superseded by the C/C++ implementation in the USER-REAXC package. The USER-REAXC code has been proven to produce results consistent with the Fortran version and to be faster and more flexible. In addition, the serial and python packages do not include the MPIIO and USER-LB packages, since those depend on MPI-IO functions which are not available with the serial MPI stub library in LAMMPS.
The LAMMPS distribution is split into multiple sub-packages and you only need to install the ones that you need. Available sub-packages are:
lmp_g++. Switching between the serial and parallel executable is done via loading the openmpi environment module using the
lmp_g++. Switching between the serial and parallel executable is done via loading the MPICH or MPICH2 environment module using the
chain.x), and bundled potential files in
/usr/share/lammps/potentialsas well as support files for
/usr/share/lammps/frc_files. It also sets up environment variables, so that those files can be automatically be found, if referenced without a path, without having to copy them somewhere.
Binary RPMs are currently provided for up-to-date versions of Red Hat Enterprise Linux or CentOS (version 6.6 or 7.1 at the time of this writing), Fedora (versions 19, 20, 21, 22, and 23 at the time of this writing) and OpenSuSE (versions 12.3, 13.1, 13.2, and 42.1 as of this writing) for 32-bit (i386/i586 only for versions that still support it, i.e. 12.3 and 13.1) and 64-bit (x86_64) Intel/AMD x86 CPU versions. RPM packages for older distributions may still be available, but will not be updated and thus it is strongly recommended to upgrade the installation. Binaries for additional distributions and versions may be added based on demand and available resources. The packages are provided without warranty and support. If you notice any problems or would like to see binaries for other distributions or versions or platforms made available, you can contact Axel Kohlmeyer and we can try to find a solution.
There is a huge number of Linux distributions on a large variety of hardware around and it is impossible to provide binaries for all of them, even if they do use the RPM package format. For those distributions, you can download a source RPM from below and try a custom RPM build after installing the necessary packages required for building the binary RPM via the command:
rpmbuild --rebuild <name of the source rpm file>.
If your distribution is not simply a different version of the ones listed above, chances are, that some additional tweaks to the lammps.spec file are required. You can contact Axel Kohlmeyer to see, if there is a (simple) solution. But very likely you will be better off following the generic compilation instructions in the LAMMPS manual.
For Ubuntu and similar distributions based on the Debian packaging system, you can use the LAMMPS daily build repository set up by Anton Gladky. Instructions for accessing it are on the LAMMPS Download page.
For Gentoo Linux LAMMPS has been integrated by Nicolas Bock and Christoph Junghans into the portage system and LAMMPS can be configured and installed using the emerge command. Basic instructions are on the LAMMPS Download page.