[lammps-users] spatial decomposition technique


I know that lammps is using spatial decomposition techniques for
parallelization. But I was wondering if there's a flag somewhere in the
code that enables other kinds of decomposition? (i.e. atom or force

For my simulations,the molecules are not homogeneously distributed in
the box and the box size is too large. I end up with very inefficient
parallelization and I was wondering if this could be due to the space
decomposition techniques that lammps is using (as the web site says,
lammps is most efficient in systems where particles fill in a 3-D box
with roughly uniform density,

thanks a lot,


Nope - LAMMPS only does spatial decomp. You can control
how the procs are layed out (as a 3d grid) via the "processors"
command - so it's possible that tuning those values might
give you better performance, since LAMMPS lays out the
procs (by default) only from the box size, not knowing anthing
about where your atoms will be.