[molpro-user] SCS-MP2 optimization trouble

Piazza, Zachary zachary_piazza at brown.edu
Wed Jul 11 06:51:11 BST 2012

I am trying to run a SCS-MP2 optimization

I use the following input after my memory, wavefunction, and basis
sets are defined.


I believe this is what the user manual is saying to do, however it
does not seem to work. I have run the corresponding standard MP2
optimization without error.

The error I get is

"Last System Error Message from Task 5:: No space left on device

MPI_ABORT was invoked on rank 5 in communicator MPI_COMM_WORLD
with errorcode 84370982."

is this a memory error?

If anyone has successfully run an SCS-MP2 optimization would they be
kind enough to provide me a sample of their input deck?

thanks for any help.


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