meam package problems in building lammps as a library

Hi,

I am going to use the meam potential. I build the MEAM package as the way in the readme file and it works in LAMMPS.

The problem is that I am going to build lammps as a library and use it by my own code. I did it in this way:

Shouldn’t this:

llammps_mpi

be this:

liblammps_mpi

?

Jim Kress

Hi,

I am going to use the meam potential. I build the MEAM package as the way
in the readme file and it works in LAMMPS.

The problem is that I am going to build lammps as a library and use it by
my own code. I did it in this way:

make -f Makefile.gfortran
and I changed the Makefile.lammps file as:

meam_SYSLIB = -lgfortran
meam_SYSPATH = -L/opt/intel-11.1.046/lib/intel64

Then I did
make yes-meam
make mpi mode=lib

I got the file liblammps_mpi.a. in directory src.

Then, I compile my own code which will call lammps to calculate meam potential in this way:

mpic++ mycode.c -L /home/jinping/lammps-30Jul16/src -llammps_mpi -L */home/jinping/lammps-30Jul16/lib/meam -lmeam* -I /home/jinping/lammps-30Jul16/src -o mycode.out

It reports some errors and no executable file is produced.

So, how to solve this problem? Do I set the Makefile.lammps file right?​

​your Makefile.lammps settings are inconsistent, but that doesn't matter.​

you need to link with the gfortran compiler runtime library when you
compile your own binary. Makefile.lammps is not applied since you are
linking manually.​ as mentioned before, you must study very carefully how
the LAMMPS executable is linked and you will know what you have to do.

​axel.​

Shouldn’t this:

llammps_mpi

be this:

liblammps_mpi

​no.