[molpro-user] MP2 CALCULATION

Pradeep Kumar chem.prad at gmail.com
Sat Nov 13 18:29:51 GMT 2010

Dear Friends,
I am trying to do single point MP2 calculation at aug-cc-pvtz basis set,with
approximately 220 electron,which means approximately 1900 basis funtion.My
sytem has 16 GB RAM and 800gb hard disk with 8 processors.I was trying to do
this calculation by using "gdirect" keyword in input file.But in the output
file after performing scf calculation succesfully,programme is showing
following error.

Disk space for sorting:                    508.30 GB
 Total memory available for dtraf:           68.90 MW
 Minimum memory for paging:                 502.46 MW

 Not enough memory for paging. Paging diabled

 ? Error
 ? Switching disabled (buggy!)
 ? The problem occurs in DoDTf_dmp2

 GA ERROR fehler on processor   0

May sombody suggest me how to get rid of this error or what is the best way
to do this calculation with the machine,i have and parrellel molpro.I am
using molpro 2006 version.Please help me regarding this.
With regards
Pradeep Kumar
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