Can direct-CCSD be limited by memory ?

[Elmar Gerwalin]

Hello !

I'm trying to perform a direct CCSD calculation

(a typical input contains:
mem,90,MW
..cordinates... etc.
gdirect
hf
ccsd
--- )

but molpro fails in the ccsd step with
-----------------------------------------------
insufficient memory available - require    129494700  have     89996638
 the request was for real words

 ERROR EXIT
----------------------------------------------

But I only have 90 MW of physical memory...

Is there a possibility to run such a job ?

Thanks for any help.

Elmar Gerwalin


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Elmar Gerwalin ,   University of Kaiserslautern,Germany
                   Dept. of Theoretical Chemistry
                   http://iris2.chemie.uni-kl.de
                   elg at chemie.uni-kl.de    0631-205-2749
========================================================