[molpro-user] error writing in CCSD(T)

Kirk Peterson kipeters at wsu.edu
Wed Oct 7 20:35:03 BST 2009


Jose,

you're running a somewhat old version Molpro (2006.1) - have you  
applied all possible patches?

To me though this does look like you're running out of disk space  
since you're in the sort.  Are you
positive the molpro scratch files are going to where you expect?

regards,

-Kirk

On Oct 7, 2009, at 9:29 AM, Jose Antonio Gamez Martinez wrote:

> Hi, all:
>
> I get what seems a disk writing error when performing a ccsd(t)  
> calculation
> with a aqvz basis set.
>
> Memory used in sort:      32.29 MW
>
> ERROR WRITING        32768 WORDS AT OFFSET 1361575936. TO FILE24
> IMPLEMENTATION=eaf  FILE HANDLE=     3  IERR= -1999
> ? Error
> ? I/O error
> ? The problem occurs in writew
>
>
> However, I have plenty of disk space. Any of you have a comment on  
> that?
>
> I also attach the full output
>
> Thanks for your help
>
> Cheers,
>
> José
> -- 
> José A. Gámez Martínez
>
> Departamento de Química, C-9
> Universidad Autónoma de Madrid
> Cantoblanco, 28049-Madrid. Spain
> Phone: +34-91-497-3854
> FAX: +34-91-497-5238
> <CH3S.QZ.out><Mail Attachment.txt>




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