different output when running COMB example

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1

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)

2

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

3

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: