[lammps-users] Invalid atom ID ????

Hello,

I have below error message: (atom_style full)

LAMMPS (15 Jan 2011)
Scanning data file …
1 = max bonds/atom
0 = max angles/atom
Reading data file …
triclinic box = (0 0 0) to (25 25 25) with tilt (0 0 0)
1 by 1 by 1 processor grid
ERROR on proc 0: Invalid atom ID in Atoms section of data file

Hello,
I have below error message: (atom_style full)

LAMMPS (15 Jan 2011)
Scanning data file ...
1 = max bonds/atom
0 = max angles/atom
Reading data file ...
triclinic box = (0 0 0) to (25 25 25) with tilt (0 0 0)
1 by 1 by 1 processor grid
ERROR on proc 0: Invalid atom ID in Atoms section of data file
--------------------------------------------------------------------------
MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD
with errorcode 1.
NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.
You may or may not see output from other processes, depending on
exactly when Open MPI kills them.
--------------------------------------------------------------------------

Atom-ID starts from 0 in my data file and

that is the problem. atom ids have to be > 0
for molecular systems.

axel.

Axel is correct. From the read_data doc page:

The atom-ID is used to identify the atom throughout the simulation and
in dump files. Normally, it is a unique value from 1 to Natoms for
each atom. Unique values larger than Natoms can be used, but they will
cause extra memory to be allocated on each processor, if an atom map
array is used (see the atom_modify command). If an atom map array is
not used (e.g. an atomic system with no bonds), velocities are not
assigned in the data file, and you don't care if unique atom IDs
appear in dump files, then the atom-IDs can all be set to 0.

Steve