[molpro-user] Memory Allocation

[Wetmore, Stacey]

Dear Molpro Users,
 
I am trying to run a CCSD(T) calculation that involves 288 basis functions.  My computer has 8GB of RAM, a 146GB of disk and 8 cores.  I cannot seem to get the calculation to run properly and I suspect that it is because of the way that I am trying to specify the memory.

I have tried adding the "memory" keyword directly into the input file, as well as using the -m flag when running the job (since I am running this interactively anyway).  I noticed that there is also a -G flag.  Can you tell me how to properly specify the correct amount of memory for this job given my available resources?

I greatly appreciate your responses!

Stacey

 
*************************
Dr. Stacey Wetmore
Associate Professor
Department of Chemistry and Biochemistry
University of Lethbridge
4401 University Drive, Lethbridge, AB, Canada, T1K 3M4
Phone: (403) 329-2323
Fax: (403) 329-2057
E-mail: stacey.wetmore at uleth.ca
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