[DFTB-Plus-User] waveplot - memory corruption

[R.Perez Garcia]

No, I am afraid modifying the NrOfCachedGrids does not work for me.
I tried from 1 to 20 in both machines. In teh cluster until 8 it is "aborted" after the box conversion into Bohrs (thank you Dr. Nénon) and for the rest te error still "memory corruption"...
Thank you for your kind help.
Best regards: R

On 08-10-12, Sébastien Nénon  <sebnenon at yahoo.fr> wrote:
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> Maybe you should try even lower number of grid cached for this error
> (like 2 or 5):
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> !!! FILE:     
> /home/aradi/sync/laptop/dftb_devel/noodle.trunk/tools/waveplot/src/gridcache.F90
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> The box size difference is not an error. It is due to the fact that
> waveplot converts angstroms to bohrs for the calculation (you should
> try converting some values by hand to verify)
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> the malloc error on the other machine may come from the high number of
> cached grids too. It is certainly expressed differently on different
> computers
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> Best regards
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