[lammps-users] Illegal pair_style command for reax example lammps of 18Oct10

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1

Hi all,

I am new to LAMMPS, and have just completed setting up a dedicated linux box and compiled the 18Oct10 version of LAMMPS. I have been able to compile LAMMPS with the default packages and run the crack example without errors. I needed to compile with the reax package, so I compiled the reax package, no errors. I then used
   make yes-standard no-gpu
   make sl55fpl
to compile, where sl55fpl is for the Makefile specific for my installation (open-mpi, fftw 2, gfortran). No errors during compilation. I moved the executable to the reax example folder, and ran the provided example, with output
  [[email protected]... reax]$ lmp_stdnogpu<in.reax.tatb
   LAMMPS (18 Oct 2010)
   Reading data file ...
     triclinic box = (0 0 0) to (13.624 17.1149 15.1826) with tilt (-5.75316 -6.32547 7.42573)
     1 by 1 by 1 processor grid
     384 atoms
   ERROR: Illegal pair_style command

I had hoped the example would run out of the box, but no. The fine manual(s) is(are) quite extensive, and googling has not turned up an answer relevant to my situation. Can anyone provide either an idea of the problem (solution even better), or a starting point for directed reading to narrow my search for a solution?

Thanks
Jane

2

Is there a pair_reax.cpp file in your src dir and listed in style_pair.h?
If so, then you have ReaxFF, and there must be an error
in the pair_style reax command in your input script.

Steve