problem with example snap (Ta06A)

Dear LAMMPS users and developers

We have just downloaded and installed LAMMPS (release 30 Jul 2016).

We were trying to run the NVE dynamics of a Ta crystal in the example

named “snap”. However, we get the following error:

ERROR: Illegal pair_style command (…/pair_zbl.cpp:189)

The ERRORS section in the manual contains no reference to errors related to

“illegal pair_style” …

Could anybody please help us identify the problem ?

Best wishes

Francesco PIAZZA

Dear LAMMPS users and developers

We have just downloaded and installed LAMMPS (release 30 Jul 2016).
We were trying to run the NVE dynamics of a Ta crystal in the example
named "snap". However, we get the following error:

ERROR: Illegal pair_style command (../pair_zbl.cpp:189)

The ERRORS section in the manual contains no reference to errors related to
"illegal pair_style" ...

yes it does: there is an entry for "Illegal ... command", which
applies here as well. it instructs you to review the documentation and
under "Restrictions" of the pair_style snap command, you can find:

This style is part of the SNAP package. It is only enabled if LAMMPS
was built with that package. See the Making LAMMPS section for more
info.

so does your LAMMPS executable contain the "snap" pair style? probably not.
you can verify this with passing the -h command line flag to LAMMPS
and check the list of included styles.

axel.

Axel’s diagnosis is correct, although the error message is not very helpful, since it is referring to ZBL rather than SNAP. I have now changed the input script so that LAMMPS sees the SNAP pair_style first and gives a more helpful error message:

ERROR: Unknown pair style (…/force.cpp:240)

Aidan