Hello Sir,
I want to use Lammps in parallel interfaced with python (I need to call lammps from fortran) on ubuntu or windows. Do I need to compile the tar ball myself or I only need to use the pre-built version on ubuntu or windows?Is there any exact procedure to follow to build a parallel lammps with python interface? Thanks for your reply.
Guangyu Wang
Hello Sir,
I want to use Lammps in parallel interfaced with python (I need to call
lammps from fortran) on ubuntu or windows.
would you mind to please explain why you need python, if you want to call
LAMMPS from fortran? why not use the fortran interface directly?
Do I need to compile the tar ball myself or I only need to use the
pre-built version on ubuntu or windows?
i think the RHEL/CentOS/Fedora/OpenSuSE RPMs that i am providing on
http://rpm.lammps.org/ are the only precompiled packages that contain the
python interface. but those only include OpenMP parallelization, no MPI.
Is there any exact procedure to follow to build a parallel lammps with
python interface? Thanks for your reply.
it is described in the documentation and the various associated README
files. as always, with such complex things, you have to know what you are
doing, or you *will* make a mess that nobody will be able to fix for you
through e-mail.
it might be more constructive, if you explain in more detail what it is
that you are actually planning to use LAMMPS for, why you'd need
parallelization (and how much) and how you plan to pass MPI communicators
between the three programming languages (if you continue with what you are
hinting at).
axel.