[lammps-users] 1-3, 1-4 bond count inconsistency

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1

Hi,

I am getting an error of 1-3 and 1-4 cong count inconsistency. Any hint to locate it would be highly appreciated.

Thank you.

Chetan

2

Chetan,

Here's what the manual says
( http://lammps.sandia.gov/doc/Section_errors.html#9_3 ):

"1-3 bond count is inconsistent:

An inconsistency was detected when computing the number of 1-3
neighbors for each atom. This likely means something is wrong with the
bond topologies you have defined.

1-4 bond count is inconsistent:

An inconsistency was detected when computing the number of 1-4
neighbors for each atom. This likely means something is wrong with the
bond topologies you have defined."

So it appears that there is something wrong with the bond topologies
that you've defined in your data file.

Paul

3

Dear LAMMPS,

with the 16Mar07 version, I can use dump custom to output epair, ke and temp to some output file. However, I cannot find these features in the dump custom with the 25Jan08 version.

Could you please tell me how to output such quantities to dump files in the 25Jan08 version? Thank you.

-Trung

4

The dump custom command now allows keywords for results
from "compute" commands. There are compute commands
for ke/atom and pe/atom. Temp is a scalar quantity (not per atom)
so I'm not sure what you mean by that.

Steve