LAMMPS (Frontier)

LAMMPS (Frontier)

This is a Galaxy tool to run LAMMPS on Frontier.

Input files

The .lmp file is the LAMMPS input script.

All other input files are placed in the directory LAMMPS runs in, using the file name shown in your NDIP history::

read_data system.data read_restart equil.restart pair_coeff * * ff.params

Output

Whatever LAMMPS writes in its run directory is collected into the output collection, and the console output is captured separately.

Link to Galaxy