[gpaw-users] recursion depth error

[Marcin Dulak]

Hi,

On 07/23/12 16:56, Ask Hjorth Larsen wrote:
> Hi
>
> 2012/7/20 Torsten Hahn<Torsten.Hahn at physik.tu-freiberg.de>:
>> Hi all,
>>
>> if i run a lcao calculation with many atoms having a ghost-setup, i run into the following error:
>>
>> ===
>>    File "/home/hahn/lib/python/gpaw/setup.py", line 115, in correct_for_charge
>>      correct_for_charge(f_j, charge, degeneracy_j, True)
>>    File "/home/hahn/lib/python/gpaw/setup.py", line 97, in correct_for_charge
>>      if charge>= 0:
>> RuntimeError: maximum recursion depth exceeded in cmp
>> ===
>>
>> One solution would be to increase pythons global recursion limit with
>>
>> sys.setrecursionlimit()
>>
>> However, is this wise ? Is there a better workaround ?
>>
>> Best regards,
>> Torsten.
> That function is only used in the initialization, so even if it does
> not work correctly it should not fundamentally break the calculation
> once it gets past that phase.  That being said, I never was able to
> understand the purpose of the "correct_for_charge" function in spite
> of the fact that helpfully contains the comment "# correct for the
> charge".
>
> I would solve it by hacking my local copy until it works, then
> complaining some more on the mailing list until someone who
> understands what it is supposed to do fixes it.
in such situations we need an example script so a trac ticket can be opened.

Marcin
>
> Regards
> Ask
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>


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Marcin Dulak
Technical University of Denmark
Department of Physics
Building 307, Room 229
DK-2800 Kongens Lyngby
Denmark
Tel.: (+45) 4525 3157
Fax.: (+45) 4593 2399
email: Marcin.Dulak at fysik.dtu.dk

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