Bond length > Table outer cutoff

Hello everyone,
I am trying to simulate 60,000 atoms (300 polymer chains with 200 superatoms in each) with tabulated potentials. The tabulated data for bonded potentials has 3 columns namely, bond separation (1nm to 1.5nm), bonded potentials and the force values. Following are the details of my input script:
style: Nano
Temperature: velocity all create 590.0 12345
Fix: fix 1 all nvt temp 590.0 590.0 100.0

The error it throws is: “Bond length > table outer cutoff: type 2 length 1.55804 (…/bond_table.cpp:608)”. This happens at the very 1st-time step (Image attached).


I tried to reduce my configuration to 4 molecular chains with 200 atoms in each (therefore, total 800 atoms), but it still throws the same error. Is there any way to check which atom is the faulty one, because the problem seems to be in the initial configuration of my system?
Could anyone please help me out with this?

Thanks and regards,
Vinay Prakash
Research Assistant,
chair of applied mechanics
FAU Erlangen, Germany


You can use compute bond/local with dump local to write bond lengths to a file.