different output when running COMB example

Dear LAMMPS users,

I have been trying to run the comb examples included with the 4Jul12 version of Lammps. However, the energies I obtain in the output are completely different from the reference files.
For example, for the input in.comb.Si I obtain the file attached (log.lammps).

I have run other examples (flow and crack) and in that case the energy differences are minor.
I am using a version compiled in serial in a linux machine using g++.

I would appreciate very much if someone could point out the reason for this discrepancy.

Alexandra Carvalho
University of Aveiro
Portugal

in.comb.Si (749 Bytes)

log.lammps (3.24 KB)

Hi Alexandra,

The log file you obtained is correct. I might have mixed up the
example files back in Jan. Sorry for the mix up.

Best,
Ray Shan

Dear Ray,

Thank you for your reply, it is good to confirm that.

For the benefit of other users, I will just mention that
I found another comb example in the bechmarks page
http://lammps.sandia.gov/bench.html
and in this case the my output coincides with the reference output.

Regards,

Alexandra

Ray Shan wrote: