FCI bug?

Garnet Kin-Lic Chan garnet at bastille.cchem.berkeley.edu
Thu Nov 22 03:55:24 GMT 2001


Yes, thanks for the help, it all works fine now,

sincerely,
Garnet

On Wed, 21 Nov 2001, Peter Knowles wrote:

> Garnet, Kirk is right. You need about 16 bytes * FCI dimension *
> number of iterations (typically 15), ie getting on for about 10Gbyte.
> Good luck!
> Peter
> At Tue, 20 Nov 2001 17:27:49 -0800 (PST),
> Kirk Peterson wrote:
> > 
> > Hi, 
> > 
> > if I had to guess, I would say you've ran out of disk space.
> > 
> > 
> > > I have been trying to run the Bauschlicher-Taylor H2O DZP FCI calculation.
> > > The program crashes with the error
> > > 0Hamiltonian diagonaliser entered at time      0.68
> > > wrabsf: Error in writing to file T1400020327.TMP (unit 14), 28232704 words
> > > at word offset 1024
> > >  
> > >  ERROR EXIT
> > > 
> > > Any ideas? Help is greatly appreciated,
> > > 
> > > Garnet Chan
> > > 
> > > My input is
> > > memory,150,m
> > >  geomtyp=xyz
> 
> -- 
> Prof. Peter J. Knowles              
> Email P.J.Knowles at bham.ac.uk  Phone +44-121-414-7472  Fax +44-121-414-7471
> School of Chemical Sciences, University of Birmingham, Birmingham, B15 2TT, UK
> WWW http://www.tc.bham.ac.uk/~peterk/
> 




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