[molpro-user] Multipassing necessary in transformation. To avoid, increase memory

[Lee E.P.F.]

Dear MOLPRO authors and users,

I have got the warning of "Multipassing necessary in transformation. To avoid, increase memory" in my multi caln, but it just carries on to completion. However, the results do not agree with the series of calns I have been doing. This leads me to re-run the same multi caln with a larger memory. Indeed, the results are very different, and now agree very well with the whole series.

>From my memory, I think, I have seen this warning before, and the calns were alright. Am I correct ? If so, this is worrying, as when would this warning be alright and when would it be serious ?

Regards,
Edmond Lee

Ps. I am using 2010.1.