1These are input scripts used to run benchmark tests for many of the
2interatomic potentials in LAMMPS.  The results of running these
3scripts on different machines are shown on the Potentials section of
4the Benchmark page of the LAMMPS WWW site (https://www.lammps.org/bench.html).
5
6Examples are shown below of how to run these scripts.  Log files for
7running them on 1 and 4 processors of a Linux box are included in the
8directory.  This assumes that the executable lmp_mpi has been built
9with the appropriate packages installed in order to run with a
10particular potential.  For the ReaxFF potential invoked by the in.reax
11script, you should build the Fortran ReaxFF library in lib/reax, using
12the included reax_defs.h file to enable the problem size specified by
13the in.reax file.
14
15Any potential parameter file(s) used by the input scripts are also
16included in this directory.
17
18------------------------------------------------------------------------
19
20lmp_mpi -in in.fene
21lmp_mpi -in in.tersoff
22
23mpirun -np 4 lmp_mpi -in in.fene
24mpirun -np 4 lmp_mpi -in in.protein
25