[molpro-user] error writing in CCSD

Andy May MayAJ1 at cardiff.ac.uk
Mon Jul 13 09:52:46 BST 2009


Ersin,

Could you post the full input. Also, which specific Molpro are you
using, binary, source, patch level etc., and is this being run in serial
or parallel?

Thanks,

Andy

ERSIN YURTSEVER wrote:
> Hi
> 
> I am running Molpro 2008.1. Trying a lccsd(t) on triphenylene. Basis definition is:
> 
> basis=avdz
> df-hf,df_basis=vdz
> df-lccsd(t),df_basis=vdz
> 
> During lccsd(t) step I get the error message:
> 
> Fitting-basis CC-PVDZ-MP2FIT loaded for 4-external integrals.
> Number of fitting functions 1176
> 
> ERROR WRITING
> 
> Is this an error of not having enough disk space?
> Can anybody suggest a solution?
> 
> thanks
> 
> ersin
> 
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