Too Many Active Orbitals?

[Nick Wilson]

Matt,

You are correct that this a 32bit/64bit issue. You have to be running a 
64 bit version to be able to use more than 16 active orbitals.

Best wishes,
Nick Wilson

The Matt wrote:
> I hope this isn't a FAQ, but I couldn't find the answer anywhere.  I am
> trying to do a calculation that has succeeded before on 2002.3, but now
> fails on 2002.6.  The job stops with:
> 
> TOO MANY ACTIVE ORBITALS: 22 THIS VERSION ALLOWS 16
> 
> I tracked this to src/mrci/ciinit.f, but I'm not sure on how to increase
> this.  Is it one of those options in the configure process, or do I need
> to hack a common?  If the hack, is it safe to do?  Or is it a 32-bit
> limit (see below)?
> 
> I am also puzzled why this job did work on .3 and not .6.  Could this be
> due to .6 being on a 32-bit system (dual Xeon with 4 GB of memory) and
> the .3 on a 64-bit system (Alpha with 768 MB)?  If so, are there other
> parameters I need to watch out for that kill on 32-bit?
> 
> Thanks for any help,
> Matt Thompson