Hi Lammps users,
When I run command (dump 1 all xyz 100 file.xyz) with command (boundary p
p f) together, I get this error:
"ERROR: Atom IDs must be consecutive for dump xyz"
But when I run the above dump command with command (boundary p p fm), no
errors occur and everything is OK.
What does it mean, and What does second boundary command do for removing
error?
Thanks.
If you do dump xyz for group all, then LAMMPS sorts the atoms,
which is useful in an xyz file b/c there are no atom IDs, so you
can tell which atom is which from snapshot to snapshot. To do this,
the # of atoms needs to be the same every snapshot, i.e. you can't
lose atoms. I'm guessing that with one of your boundary commands,
you are losing some atoms, hence LAMMPS is complaining when
it tries to write a new snapshot.
Steve