Dipole example - missing line in input script?

Dear all

I am a new user interested in simulating particles embedded with point-dipoles, so I'm having a look at the dipole example (lammps-19Jun11/examples/dipole).
I believe there is a small mistake in the input script provided. In particular, running the example simulation yields the following screen output:

LAMMPS (19 Jun 2011)
Lattice spacing in x,y,z = 1.69031 1.69031 1.69031
Created orthogonal box = (0 0 -0.845154) to (16.9031 16.9031 0.845154)
  2 by 2 by 1 processor grid
Created 200 atoms
Setting atom values ...
  200 settings made for mass
Setting atom values ...
  200 settings made for dipole/random
ERROR: All masses are not set

I found this error described on the website as:

/All masses are not set/
    For atom styles that define masses for each atom type, all masses
    must be set in the data file or by the mass command before running a
    simulation. They must also be set before using the velocity command.

So I added the following line in the input script:

mass 1 1.0

and with this the simulation seemed to run ok.

Hope this feedback is useful.


yes - that added line is necessary. This was a change to
the way some of the atom styles store mass on a per-particle