mem required for fci calc

[Peter Knowles]

Memory: 2 complete vectors of the FCI basis size (this number gets
printed at an early stage), plus some smaller stuff.
Disk: 2 * (number of iterations) + 1 of these vectors.

Peter

At Sun, 23 Jun 2002 21:13:52 +0100 (BST),
James A. J. Fitzpatrick wrote:
> 
> Dear Molpro Users,
> 
> Can somebody tell me how I can estimate the memory and disk space
> resource requirements for an fci calculation (no of elec, or
> orbitals and basis size etc...)
> 
> Any help would be gratefully recieved.
> 
> Many thanks in advance,
> James Fitzpatrick.
> 
> ---
> James A.J. Fitzpatrick                  
> Laser Chemistry and Dynamics Group
> School of Chemistry, Cantock's Close, Bristol BS8 1TS, UK.
> Telephone (Office) : +44 117 928 9938, 
> Telephone (Lab)    : +44 117 928 8187 
> Fax : +44 117 925 0612
> 
> E-mail : j.fitzpatrick at bris.ac.uk
> Web    : http://www.chm.bris.ac.uk/~chjajf

--
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/