[lammps-users] Problem compiling LAMMPS with REAX on AIX

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1

Dear list members,

I am trying to compile LAMMPS with REAX on AIX using the mpCC_r compiler for C++ codes and xlf for fortran codes (in reax library-folder). The reax library (libreax.a) is built successfully. However when I compile, after including and linking the reax library, I get errors in all statements in which "FORTRAN" appears (files 'pair_reax_fortran.h' and 'pair_reax.cpp' are the ones affected). The compiler replaces the occurance of "FORTRAN" by "_".

2

The question you need to answer is how to compile/link
any C++ code with any Fortran code on your box. If you
figure that out (e.g. from the compiler manuals), then
you should be able to do it with LAMMPS + ReaxFF.

Steve

3

Thanks for the heads up.

I could compile lammps + reax by a minor edit in the file pair_reax_fortran.h by doing the following:

Original