Choose MPI software when building

LAMMPS LAMMPS Installation
1

Hi,

I have both MPICH and OpenMPI installed on my machine. LAMMPS automatically uses MPICH when building, while I would like to use OpenMPI instead. Is there a way to choose which one to use?

Thanks,
Danyang Chen

2

That depends on how you installed both libraries, what kind of system you are running on and how you normally switch between them.

For example, on Fedora Linux both MPI libraries are installed as environment modules and you switch between them with the module command.