[molpro-user] Active orbitals limit

[Xinzheng Yang]

Dear molpro user,

I think I'm using a AMD Opteron system, which is 64 bit system.
I installed the rpm package of 
Version 2002.6 for architecture amd64, standard code, mpp (Patchlevel 91)
I still has this problem. If I must compile the source code on this computer
to resolve this problem?

Thanks a lot!

Xinzheng
On 7/25/05, Dr Seth OLSEN <s.olsen1 at uq.edu.au> wrote:
> 
> Hi Xinzheng,
> 
> The only way to get beyond it is to move to a 64 bit computer
> architecture, as far as I know.  Because of the way molpro represents
> the configurations, the number of active orbitals is equal to the
> bitsize of integers on your machine divided by two.
> 
> There is more on this in the mailing list archive.
> 
> Cheers,
> 
> Seth
> 
> ccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccms
> 
> Dr Seth Olsen, PhD
> Postdoctoral Fellow, Biomolecular Modeling Group
> Centre for Computational Molecular Science
> Chemistry Building,
> The University of Queensland
> Qld 4072, Brisbane, Australia
> 
> tel (617) 33653732
> fax (617) 33654623
> email: s.olsen1 at uq.edu.au
> Web: www.ccms.uq.edu.au
> 
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> 
> 
> 
> 
> ----- Original Message -----
> Wrom: EGAUTFJMVRESKPNKMBIPBARHDMNNSKVFVWRKJV
> Date: Tuesday, July 26, 2005 5:04 am
> Subject: [molpro-user] Active orbitals limit
> > Dear Molpro user,
> >
> > Why the number of active orbitals in CASSCF calculation are limited
> > to 16?
> > Is there any special point for this limitation? Is there any way to
> > increase this
> > limitation?
> >
> > Thanks a lot!
> > --
> > Xinzheng Yang
> > 1071 Clayton Ln, Apt. 1406
> > Austin, TX 78723
> >
> >
> 


-- 
Xinzheng Yang
1071 Clayton Ln, Apt. 1406
Austin, TX 78723