Dear Henning Heiberg-Andersen,

If you have the source code, you can increase
the value for the NMAXPOINTS parameter in
$ADFHOME/densf/routines/diinpt.d90 which is set to 10 million:

integer(KINT), parameter :: NMAXPOINTS = 10000000_KINT

if (npts(1)*npts(2)*npts(3)>NMAXPOINTS) call stopit ('Too many points')

You can define the grid "by hand" in the DENSF input (without using the
GRID MEDIUM short-cut) and thus make sure that the total
number remains just below this maximum.

If you have further questions, feel free to contact us at
support_at_scm.com.

Best regards,
Stan van Gisbergen

On Sep 14, 2004, at 4:24 PM, Henning Heiberg-Andersen wrote:

>
> Dear ADF users,
>
> When I use
>
> GRID FINE
>
> in for a large molecule, DENSF (2004.01) aborts with the message
>
> Too many points.
>
> -Are there any strategy parameters I can use, or do I have to resort to
> GRID MEDIUM?
>
> Best regards,
>
> Henning Heiberg-Andersen
>
>
Dr. S.J.A. van Gisbergen      
Scientific Computing & Modelling NV
Theoretical Chemistry, Vrije Universiteit
De Boelelaan 1083
1081 HV Amsterdam
The Netherlands                              
T: +31-20-4447626    
F: +31-20-4447629        
vangisbergen_at_scm.com  
http://www.scm.com
Received on 2004-09-16 13:33:17