Possible to get representative of ghost atoms?

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1

Hello,

I have a small doubt. In a LAMMPS periodic space, is there a way to to obtain a ghost atom’s equivalent primary cell representative?

Thanks,
Adarsh

2

Hello,

I have a small doubt. In a LAMMPS periodic space, is there a way to to obtain a ghost atom’s equivalent primary cell representative?

please note, that not for all ghost atoms, there has to be such an atom. in fact, the more processors you use, the less likely it is.

check out:

ii = atom->map(atom->tag[i]);

and compare ii to i for all i > atom->nlocal
and then vary the number of CPUs.

now atom->tag[i] is the canonical (and unique) atom id, and there should be only one MPI rank, where atom->map(some_tag) is a number >=0 and < atom->nlocal on all other ranks it should be either -1 or >= atom->nlocal.

axel.