I have a general question about link of LATTE with LAMMPS. I need parallel version of compilation (for SMP computer, I need openmp version). How LATTE should be called from LAMMPS? Serial or parallel? Is it right to compile both codes in parallel version?
The current LAMMPS/LATTE interface (fix latte) only supports
LAMMPS running in serial (since LATTE witll do 99.999% of the work).
However LATTE itself can run parallel in OpenMP mode via threading.
I believe the LATTE docs explain how to do that. Again, ask Christian
if you can’t figure it out.
So run LAMMPS on 1 proc and tell LATTE to run on all
the cores of your node.