[molpro-user] SCS-MP2 optimization trouble

Andy May MayAJ1 at cardiff.ac.uk
Thu Jul 19 11:44:54 BST 2012


This appears to be a generic system error which has been passed back 
from one of the MPI processes, probably due to lack of disk space where 
that process is trying to write.

Best wishes,


On 11/07/12 06:51, Piazza, Zachary wrote:
> I am trying to run a SCS-MP2 optimization
> I use the following input after my memory, wavefunction, and basis
> sets are defined.
> HF
> 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.
> best,
> Zach
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