Duplicate atom error when using restart file

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1

Dear LAMMPS developers and users,

I have been using the command:

restart 1000000 restart.test.*

to save my data regularly thought my simulation. When I try to use the restart file by the command:

read_restart restart.1_ZnTe_ZnTe.30000000 remap

I get the following error:

ERROR: Duplicate atom IDs exist (…/atom.cpp:637)

Please note, that these simulations are still running without a problem. I don’t understand why I’m getting this error. Does anyone know how I can eliminate this error to use my restart files?

Thank you in advance!

Tara

2

I should add one more piece of information; I only get this bug after I begin deposition in the simulation. I can open and read restart files prior to deposition. Once again, this is odd as this simulation is running and my thin film deposition is going very well.

Thank you,

Tara

3

Dear LAMMPS developers and users,

I have been using the command:

restart 1000000 restart.test.*

to save my data regularly thought my simulation. When I try to use the
restart file by the command:

read_restart restart.1_ZnTe_ZnTe.30000000 remap

​why remap? you should not need this option unless under very extreme
circumstances. you may be hiding some real problem...​

I get the following error:

ERROR: Duplicate atom IDs exist (../atom.cpp:637)

Please note, that these simulations are still running without a problem. I
don't understand why I'm getting this error. Does anyone know how I can
eliminate this error to use my restart files?

​off the top of my head, i can imagine two scenarios that can cause ​LAMMPS
to react like this:
- somehow your input has duplicate atom ids already before insertion
- your simulation has so many insertions (and deletions), that your atom
ids wrap around the 2 billion mark.

axel.