read rdx example

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1

Hi

I am completely new to LAMMPS. A test input works, involving "data.rhodo" and "in.rhodo" on a Army DoD machine (Harold) on which LAMMPS was built in Feb of this year. For a second test, I download LAMMPS and used this example:
in.reax.rdx
data.rdx
ffield.reax
from the Examples directory that contains 18Feb13 output

I cannot see where a file log.lammps comes from, but it reads:

LAMMPS (14 Feb 2013)
# ReaxFF potential for RDX system

units real

atom_style charge
read_data data.rdx
  orthogonal box = (35 35 35) to (48 48 48)
  2 by 2 by 2 MPI processor grid
  21 atoms

# reax args: hbcut hbnewflag tripflag precision

pair_style reax 6.0 1 1 1.0e-6
ERROR: Invalid pair style (force.cpp:168)

My redirect of the LAMMPS out put also contains the line:
ERROR: Invalid pair style (force.cpp:168)

I would appreciate any help.

Thanks,
Brett

Brett I. Dunlap
Code 6189
Chemistry Division
US Naval Research Laboratory
Washington, DC 20375-5320
Phone: (202) 767-3250
Fax: (202) 767-1716
Email: [email protected]...

2

It is obvious that you did not have REAX package installed. Please
see: http://lammps.sandia.gov/doc/Section_start.html#start_3.

Also, you might want to use the USER-REAXC package, which is faster
and easier to build.

Ray