I seems that a possible error message which looks like
the one which has been reported below is
"TOO MANY VARIABLES. INPVAR" (I did a "grep -i 'too many
variables' *.f" in $ADFHOME/adf/FFILES and $ADFHOME/libtc/FFILES).
The respective routine processes data from the DEFINE input key,
and the maximum number of variables allowed there is 50 in my
copy of ADF (2000.01).

Cheers,
Jochen

On Tue, 27 Mar 2001, Marcel Swart wrote:

> >Hi all!!
> >
> >Does anybody knows what is the maximun number of variables
> >allowed by ADF 2000 in a geometry optim. calculation?
> >
> >(We are trying to run a calculation (QM/MM) with a total number of
> >atoms =1300, thus ~3600 geom. var. ADF stops just at the
> >beginning, and gives the error message "too many variables")
> >
> >Thanks
>
> Normally, the default number of atoms is 1000. This could be your problem.
> You can change this in the settings file.
>
> --
> Marcel Swart
>
> Theoretische Chemie (MSC) / Moleculaire Dynamica (GBB)
> Rijksuniversiteit Groningen
> Nijenborgh 4
> 9747 AG Groningen
> The Netherlands
>
> m.swart_at_chem.rug.nl
> http://go.to/m.swart
>
Received on 2001-03-27 21:07:07