[molpro-user] FCI memory leak?

[Peter Knowles]

Yes, this was indeed a memory leak in the FCI code; thanks for  
pointing it out. It has now been fixed.
Peter

On 28 Mar 2008, at 08:45, franc at thch.unipg.it wrote:

> I'm trying to compute parts of a FCI surface. The nuc coordinates are
> varied in a loop, containing the hf+fci commands (see attached).  In  
> the
> attached output excerpts it appears clearly that the memory FCI thinks
> it has available shrinks from iteration to iteration until it is no
> longer sufficient.
>
> Note incidentally that also the timing appears not to be reset in each
> iteration.
>
> Has anybody encountered that? Am I doing something wrong? Is this a
> compiler problem or a bug? (Compiler/environment should be clear from
> output.)
>
> Thanks for any hint/help.
> FT
> -- 
> |        Francesco Tarantelli, Professor of Theoretical  
> Chemistry      |
> | Dipartimento di Chimica, Universita' | E-mail:  
> franc_thch.unipg.it   |
> | Via Elce di Sotto 8                  | http://www.thch.unipg.it/~franc
> | 06123 Perugia, Italy                 | Tel/Fax: +39  
> 0755855531/5606  |<bug.out>

--
Prof. Peter J. Knowles
School of Chemistry, Cardiff University, Main Building, Park Place,  
Cardiff CF10 3AT, UK
Telephone: +44 29208 79182 Fax: +44 2920874030 Email KnowlesPJ at Cardiff.ac.uk
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