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:
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/intel64Then I did
make yes-meam
make mpi mode=libI 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.