[molpro-user] "2-ext paging plus 3-ext ints not yet working" error message during mp2 calculation

Mikael Johansson mikael.johansson at helsinki.fi
Tue Oct 5 09:50:23 BST 2010


Hello Cong!

On Tue, 5 Oct 2010, Cong Wang wrote:

> I tried to do a mp2 calculation for a van der waals complex, such an
> error message appears

> Multipassing necessary in transformation. To avoid, increase memory
> by       3845495 words
>
> ? Error
> ? 2-ext paging plus 3-ext ints not yet working (kintc)!


I seem to remember coming across that message doing CCSD(T) calcs. The
solution (or maybe rather, workaround) then was to increase memory (unless
_my_ memory is playing tricks).

Have a nice day,
      Mikael J.
      http://www.iki.fi/~mpjohans/




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