[molpro-user] About detailed error message for filled disk space

[Peter Knowles]

fd=15 means that the error is on file 5, commonly used to store the  
transformed 2-external Coulomb integrals.
l=30892 is the length of the buffer being written at the failure point.
p=... is the address on the file that you are writing to, in units of  
8-byte words.

Unfortunately, most parts of Molpro do not look ahead to calculate  
total memory and disk space requirements; furthermore such  
calculations are of course not easy to do, and as you don't even say  
what kind of method you are using, it's hard to help you with a  
prediction.

Peter

On 6 Dec 2007, at 04:49, Min Seung Kyu wrote:

> Dear MOLPRO users,
>
> Could you tell me about this error message in detail?
>
> ------------------------------------------------------------------------------
>
> Write error in iow_direct_write; fd=15, l=30982, p=788964613; write  
> returns -1
>
> ------------------------------------------------------------------------------
>
> I know this message is about filled disk quota or space, but I want  
> to know the details.
>
> What do fd, l, and p mean?
>
> Are there any messages about required hard disk space for the  
> calculation?
>
> Because my quota for scratch directory is limited, I want to know  
> the required workspace size exactly.
>
> Thanks alot.
>
> Sincerely, Min.
>
> -------------------------------Sig.---------------------------
> Center for Superfunctional Materials, Department of Chemistry,
> Pohang University of Science and Technology (POSTECH)
>
> Mr. Seung Kyu / Min
>
> E-Mail: min0220 at postech.ac.kr
> Tel.  : 82-54-279-5858
> --------------------------------------------------------------
>
>
>
>
>

--
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
WWW http://www.cardiff.ac.uk/chemy/contactsandpeople/academicstaff/knowles.html