Dear Dr. Nicolas,

No utilities are currently available for estimating memory use of ADF.

There are currently two sorts of data that use up much memory for large
molecules:

- various matrices on AO or MO basis
- data in the numerical integration grid

The memory used by the matrices scales as N-squared where N is the
number of basis functions.
The memory used for the grid data is proportional to VECTORLENGTH which
can be
specified in the input file. One way to use less memory in your
calculation is to specify

VECTORLENGTH 32

instead of the default of 128. Reducing the vectorlength further may
make the calculations
much slower though.

Best regards,
Stan van Gisbergen

Jardillier Nicolas wrote:

>hello dear list,
>is someone know how to calculate approximatively the dynamic memory from
>the input ?
>maybe some utilities exist ?...
>Nicolas Jardillier.
>
>
>

-- 
Dr. S.J.A. van Gisbergen
Scientific Computing & Modelling NV
TC, FEW, Vrije Universiteit
De Boelelaan 1083
1081 HV Amsterdam 
The Netherlands 
T +31-20-4447626
F +31-20-4447629
vangisbergen_at_scm.com
www.scm.com