These are input scripts used to run benchmark tests for many of the interatomic potentials in LAMMPS. The results of running these scripts on different machines are shown on the Potentials section of the Benchmark page of the LAMMPS WWW site (lammps.sandia.gov/bench).

Examples are shown below of how to run these scripts. Log files for running them on 1 and 4 processors of a Linux box are included in the directory. This assumes that the executable lmp_linux has been built with the appropriate packages installed in order to run with a particular potential. For the ReaxFF potential invoked by the in.reax script, you should build the Fortran ReaxFF library in lib/reax, using the included reax_defs.h file to enable the problem size specified by the in.reax file.

Any potential parameter file(s) used by the input scripts are also included in this directory.

Note that some of the input scripts read data files of atomic coordinates via the "read_data" command. Those data files are NOT included in this directory, to make the LAMMPS download tarball smaller. They are available on the Benchmark page of the LAMMPS WWW site (lammps.sandia.gov/bench), via the tarball link in the table under the Potentials section. If you download and unpack the tarball for a particular potential, the data file is included.

lmp_linux < in.fene lmp_linux < in.tersoff

mpirun -np 4 lmp_linux < in.fene mpirun -np 4 lmp_linux < in.protein