[DFTB-Plus-User] waveplot questions

Bálint Aradi aradi at uni-bremen.de
Mon May 4 08:51:57 CEST 2015


> 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/


-------------- next part --------------
A non-text attachment was scrubbed...
Name: signature.asc
Type: application/pgp-signature
Size: 836 bytes
Desc: OpenPGP digital signature
URL: <http://mailman.zfn.uni-bremen.de/pipermail/dftb-plus-user/attachments/20150504/4d87ca33/attachment.sig>


More information about the DFTB-Plus-User mailing list