Bond atoms % % missing


The attached files work properly when atoms are lined up. but don’t work with this random atom coordination. even with this ridiculously big simulation box I got the message just after sim srarts:

  • Bond atoms 580 851 missing on proc 0…
    any idea what is wrong with that?



data_long.dat (98.2 KB)

in_long.dat (712 Bytes)


See the page 125 on the lammps manual.

It addresses for that error like

---- Bond atoms %d %d missing on proc %d at step %ld—
One or both of 2 atoms needed to compute a particular bond are missing on this processor. Typically this is because the pairwise cutoff is set too short or the bond has blown apart and an atom is too far away.

The another possible solution is to see the lammps archive with similar questions.

C.W. Jang