2.2. Download an executable for Mac

LAMMPS can be downloaded, built, and configured for OS X on a Mac with Homebrew. (Alternatively, see the installation instructions for downloading an executable via Conda.) The following LAMMPS packages are unavailable at this time because of additional requirements not yet met: GPU, KOKKOS, LATTE, MSCG, MPIIO, POEMS, VORONOI.

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

brew install lammps

This will install the executables “lammps_serial” and “lammps_mpi”, as well as the LAMMPS “doc”, “potentials”, “tools”, “bench”, and “examples” directories.

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

brew test lammps -v

The LAMMPS binary is built with the KIM package, which results in Homebrew also installing the kim-api binaries when LAMMPS is installed. In order to use potentials from openkim.org, you can install the openkim-models package

brew install openkim-models

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.