Dear Lammps users,
I have already searched the archives for answers for my following questions but I still can not reach a clear understanding.
I am trying to apply a certain force to nearest neighbours (NN) of atom i. If these NNs fall outside the simulation box, in order to apply the force to the equivalent atom inside the simulation box I used tag[j]-1 which seems to work for the serial version.
What should I do If I use the MPI version to do the same job? I could not find any documentation on what the ghost atoms are, how the global vs. local atom ids work?
Can you help please,
Regards,
Sherri
Dear Lammps users,
I have already searched the archives for answers for my following
questions but I still can not reach a clear understanding.
I am trying to apply a certain force to nearest neighbours (NN) of atom i.
If these NNs fall outside the simulation box, in order to apply the force
to the equivalent atom inside the simulation box I used tag[j]-1 which
seems to work for the serial version.
but for the wrong reason.
you have to use a neighborlist for this, e.g. via creating a new pair style
that is added via hybrid/overlay to your system. then almost all PBC
related issues vanish.
What should I do If I use the MPI version to do the same job? I could not
find any documentation on what the ghost atoms are, how the global vs.
local atom ids work?
this topic *has* been discussed many times on this very mailing list.
please search the mailing list archives again and more thoroughly.
axel.