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

Ben Hourahine benjamin.hourahine at strath.ac.uk
Tue Feb 7 10:52:45 CET 2017

Hi Bálint,

Thanks for replying.

Based on who this is, my guess was code modification to write things at
each MD step that is calling getFileId() every time. This perhaps
suggests eventually a releaseFileId() routine.



On 07/02/17 07:21, Bálint Aradi wrote:
> 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,
>   Bálint
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