[lammps-users] Self-Update: Re: How to include MEAM package in Lammps!!

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1

Dear LAMMPSers and EAMers:

Because there is nobody who replied my email, I get my self-update here.

########## First of all, my machine is Mac OS-X system with gcc/g++/gfortran/mpicc/mpic++/mpicxx/mpif77/mpif90 and without icc/ifort/pgf90/g95.

So

  1. At first, I used “make -f Makefile.gfortran” in lib/meam/ and successfully got libmeam.a, which means the MEAM was build correctly.

It is

2

Again, use make yes-meam, before building LAMMPS
with your new Makefile.

Steve

3

Finally, Problem is solved!!

We should include Fortran’s library in USRLIB = -lmeam -lgfortran and add link path in LINKFLAGS = -L/usr/lib/gcc/… to link the libgfortran.a (or libgfortran.so). This is the GCC case.

I found that as to Inter icc compiler it becomes: SYSLIB = -lifcore -lsvml -lompstub -limf and add link path in LINKFLAGS = -L/opt/inter/… to link the library icc need, where libifcore.a is Intel-specific Fortran run-time library, libsvml.a is short vector math library, libompstub.a is library that resolves references to OMP subroutines when OMP is not in use and libimf.a is math library.

Thank you very much!!

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All those libs and paths are listed in src/MAKE/Makefile.linux_poems_meam

Steve