Hi all,
I noticed that the "force/neigh" mode is much faster than just the
"force" mode in gpu-accelerated runs in lammps. It was written in the
documentation that "The force/neigh mode should not be used with a
triclinic box or GPU-enabled pair styles that need special_bonds
settings". My system is mostly composed of polymers with fene bonds
and I have a special bonds setting of "fene". I have also harmonic
angle potentials in the system.
I just want to confirm that I can use the "force/neigh" mode in my
system (In case I am missing something). I compared energies and they
are the same for both modes.
Thanks,
Jan Michael