[molpro-user] permanently the same error before integral transformation completion

[Neeraj Rai]

Berkay,

  Very likely you may be hitting wall clock time. It is difficult to say
more than this based on the information you provide.

On Wed, May 30, 2012 at 4:54 AM, Berkay Sütay <sutay at itu.edu.tr> wrote:

> Hi,
>
> i am performing an interaction energy calculation with ccsd(t) including
> BSSE correction by scanning a distance between two molecules. My many
> inputs end with the same error before the integral transformation
> completion. The same input has worked well before for another structure, it
> works! I mostly define  the memory as 300 or 400 m. But, it always says,
>
>
>  Multipassing necessary in transformation. To avoid, increase memory by
>  1754212155 words
>
>
> etc..
>
> this is written in many parts in the output, nothing is wrong with it, but
> for the unfinished jobs, it becomes the last sentence of the output that
> every time i try.
>
> hope to hear some good suggestions from you.
>
> Berkay
>
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-- 
Regards,
Neeraj.
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