[DFTB-Plus-User] waveplot questions

[Bálint Aradi]

> Doing initialisation
> !!! FAILED :   Pointer Array Allocation
> !!! ERR. NR.:  41
> !!!
> FILE:      /home/aradi/sync/laptop/dftb_devel/noodle/branches/trunk.git/tools/waveplot/src/gridcache.F90
> !!! LINE NR.:  145
> 
> I don't know where the problem is, if when I write the input file or the
> binary is incompatible with my Linux machine (Debian jessie). I have
> also downloaded the source file, but I don't see an evident Makefile.


It's more a memory issue, it can't allocate memory for all the grids.
Try to use NrOfCacheGrids = 1 (slowest option) and increase this number
gradually.

  Best regards,

  Bálint

-- 
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
http://www.bccms.uni-bremen.de/cms/people/b_aradi/


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