Command line

LAMMPS can also be executed from the command-line on Linux, macOS, and Windows without using the GUI. This is the more common way to run LAMMPS. Both, the LAMMPS–GUI program and the LAMMPS command-line executable utilize the same LAMMPS library and thus no changes to the input file are required.

First, open a terminal or command-line prompt window and navigate to the directory containing the input.lmp file. Then execute:

lmp -in input.lmp

where lmp is the command-line LAMMPS command.

For parallel execution with 4 processors (via OpenMP threads where supported by the OPENMP package), use:

lmp -in input.lmp -pk omp 4 -sf omp

Note

Running in parallel via MPI requires a specially compiled LAMMPS package and is not supported by the GUI. On supercomputers or HPC clusters, pre-compiled LAMMPS executables are typically provided by the facility’s user support team. For more information, please refer to the facility’s documentation or contact its user support staff.

See the LAMMPS documentation for a complete description on how to run LAMMPS.