[DFTB-Plus-User] waveplot - memory corruption

Sébastien Nénon sebnenon at yahoo.fr
Mon Oct 8 10:27:19 CEST 2012


Maybe you should try even lower number of grid cached for this error 
(like 2 or 5):


!!! FILE:      
/home/aradi/sync/laptop/dftb_devel/noodle.trunk/tools/waveplot/src/gridcache.F90

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)

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

Best regards

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