Bug when atom id's are not consecutive

[marcelbalcik]

I'm using the module, to calculate diffusions of the molecules inserted by GCMC simulations in LAMMPS. Due to the nature of LAMMPS GCMC simulations, atom id's after GCMC simulations are not consecutive. This raises a bug that causes exit of the simulation when OCTP is enabled. Temporary solution is using "reset_ids" command before invoking OCTP. The attached zip contains files to reproduce the bug where;

working.data #Data file that works fine
working.input #input file that works fine
bug.data #Data file that raises the bug. Differs from "working.data" by missing an atom, with id 61, type 10 (within group used in OCTP).
bug.input #input file that raises the bug. Differs from working.input by only data file read.
bug-fixed.input #input file, where temporary fix is applied, by resetting the ids.
*.out #Corresponding outputs

bug-OCTP.zip

Since the bug causes immediate exit at the beginning of simulation, I did not generate "mini-representatives" of the files. I can provide such versions if necessary.