I get this error when trying to run either a geometry optimisation or a
single point calculation on this structure.
I have tried using allow small blocks and specifying the memory amount
(which is 750mb 75% of 1Gb), which got rid of some of the errors about small
blocksize.
However, I am still left with this problem. I have successfully run lots of
calculations on very similar starting structures with no problems at all.
This error occurs both on the windows and linux versions of ADF.
 
<Aug04-2005> <12:51:33> Symmetry : D(4H)
<Aug04-2005> <12:51:33> >>>> FRAGM
<Aug04-2005> <12:51:38> >>>> CORORT
<Aug04-2005> <12:51:50> >>>> FITINT
<Aug04-2005> <12:53:16> >>>> CLSMAT
<Aug04-2005> <12:53:50> >>>> ORTHON
<Aug04-2005> <12:55:34> >>>> CRTP12
<Aug04-2005> <12:55:40> >>>> GENPT
<Aug04-2005> <12:55:41> Acc.Num.Int.= 4.000
<Aug04-2005> <12:55:58> Block Length= 128
<Aug04-2005> <12:56:12> Err 2 MORTON
<Aug04-2005> <12:56:12> WARNING: not all scratch files were closed
<Aug04-2005> <12:56:12> END
 
Thank you for any help.
 
Adam Sykes
The University of Liverpool
Liverpool
UK
 
adam.sykes_at_liv.ac.uk
 
Received on 2005-08-09 02:19:18