[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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