Hi,
I encountered this problem when simulating. I checked the error list:
*Bond atoms %d %d missing on proc %d at step %d*
One or more 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.
But how to solve this problem? Is there any probable error with the geometry model?
I increased the pairwise cutoff to 20(unit is metal), but another error occurred. Neighbor list overflow. I do not know the reasonable value of pairwise.
The pair_style is lj/cut/coul/cut. I am simulating polymer.
Any advice? Many thanks.
That error typically occurs when atoms are moving too
far, too fast. I.e. they have been blown out of the box.
If you're using metal units, are you sure you've parameterized
the LJ and Coulombic terms correctly. Can you run it
on a single processor and have it stay at thermodynamic
equlibrium for long times with reasonable pressures, etc?