[DFTB-Plus-User] -> getFileId: No more free file identification numbers

Bálint Aradi aradi at uni-bremen.de
Tue Feb 7 08:21:24 CET 2017

Dear Sharma,

> I am running into this error frequently while running NVT MD simulations
> with more than 20,000 steps or so. Is it a known error? How to avoid it?

Do you use DFTB+ as it is on the website, or did you do any
modifications yourself to it? It seems, that getFileId() is invoked too
many times. However, in DFTB+ each file calls it usually only once and
stores the id, so it should not go out of ids.

If you use the official DFTB+ binary/source, could you send me a self
containing example, so that I can reproduce and investigate the issue?

  Best regards,


Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen

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