[molpro-user] insufficient memory available

Huang, Wei wei.huang at pnl.gov
Mon Jun 1 09:00:16 BST 2009


Hi,

I did a ccsd(T) calculation, when using "memory, 430, m", got

Number of core orbitals:          19 (  19 )
 Number of closed-shell orbitals:  28 (  28 )
 Number of active  orbitals:        1 (   1 )
 Number of external orbitals:     541 ( 541 )
 insufficient memory available - require              246144721  have 
             183229730
 the request was for real words

when using "memory, 800, m", got

Number of core orbitals:          19 (  19 )
 Number of closed-shell orbitals:  28 (  28 )
 Number of active  orbitals:        1 (   1 )
 Number of external orbitals:     541 ( 541 )
 insufficient memory available - require              246144721  have 
              60940288
 the request was for real words.

Looks there was no effect when the memory increased and the available
memory even became less.

Thanks,
Wei
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://www.molpro.net/pipermail/molpro-user/attachments/20090601/ddc34cac/attachment.html>


More information about the Molpro-user mailing list