[molpro-user] mrci error

Andy May MayAJ1 at cardiff.ac.uk
Fri Jun 17 16:06:26 BST 2011


Looking at the code I think this is correct, please try increasing the 
amount of memory to see if this helps.

Best wishes,


On 16/06/11 20:15, Mintz, Benjamin J. wrote:
> To molpro users,
> I am trying to perform an MRCI calculation, and I keep getting the error "No store left, CICPS".  Does this mean that I am running out of memory?
> Benjamin J. Mintz
> Research Associate, Postdoctoral
> Oak Ridge Leadership Computing Facility (OLCF)
> Oak Ridge National Laboratory
> Phone: (865) 574-6639
> Email: mintzbj at ornl.gov
> Gmail: bm0037 at gmail.com
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