Too many common neighbors in CNA

LAMMPS LAMMPS Mailing List Mirror
1

Dear LAMMPS users,

I am working on displacement cascades in a Fe crystal.
I am using the CNA with

compute cnatom all cna/atom 3.45

The cutoff corresponds to what is advised in the user’s manual for bcc and Fe (ao = 2.86 A).
During the run, I get lots of warnings:

WARNING: Too many neighbors in CNA for 1 atoms (…/compute_cna_atom.cpp:192)
WARNING: Too many common neighbors in CNA 4 times (…/compute_cna_atom.cpp:353)
WARNING: Too many common neighbors in CNA 4 times (…/compute_cna_atom.cpp:353)
WARNING: Too many common neighbors in CNA 4 times (…/compute_cna_atom.cpp:353)
WARNING: Too many common neighbors in CNA 2 times (…/compute_cna_atom.cpp:353)
WARNING: Too many common neighbors in CNA 2 times (…/compute_cna_atom.cpp:353)
WARNING: Too many common neighbors in CNA 2 times (…/compute_cna_atom.cpp:353)
WARNING: Too many common neighbors in CNA 2 times (…/compute_cna_atom.cpp:353)

I checked in the mailing list but there is no post on this topic.
Any idea why LAMMPS is throwing this message?

With best regards,
Christophe

2

Here are a few suggestions.
Look in doc/'Section_errors.html and in the source code.

The author’s name is at the top. There are two

settings for MAXCOMMON and MAXNEAR. When

those get exceeded, warnings are printed. Look

at the line # the message prints out.

You can send the author an email if you have further Qs.

Steve

3

Here are a few suggestions.
Look in doc/'Section_errors.html and in the source code.

The author’s name is at the top. There are two

settings for MAXCOMMON and MAXNEAR. When

those get exceeded, warnings are printed. Look

at the line # the message prints out.

You can send the author an email if you have further Qs.

Thanks Steve.

I found the .cpp where it is calculated and the line where this warning appears. I will contact the author.

Christophe