[lammps-users] reax cross-language link

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1

Hello all,

When I run the reax example, it said that the pair_style is not valid. I have already built the reax package successfully (obtaining a libreax.a file on the lib/reax dir) and also included it in the LAMMPS build (with the make yes-reax command). I understand the makefile on the src/Make dir must be modified in order to have correct settings for reax_SYSLIB and reax_SYSPATH. I would greatly appreciate a model makefile.mac_mpi (obviously for mac) or an explanation on how to perform a cross-language link using the system’s Fortran libraries.

Thank you in advance,

Alejandro Martínez G.
Graduate Assistant

Department of Chemical Engineering
Universidad de los Andes

2

What's wrong with the src/MAKE/Makefile.mac_mpi that is there?
It has settings for ReaxFF, if you build it with gfortran.

If you built the ReaxFF lib, used make yes-reax, and built LAMMPS
successfully, then that is all there is to it. The error you
are getting is a run time error, probably due to using the pair_style
reax command incorrectly.

Steve