From owner-chemistry[ AT ]ccl.net Wed Mar 21 15:41:01 2007
From: "Julia Subbotina ysubboti() ucalgary.ca" <owner-chemistry]-[server.ccl.net>
To: CCL
Subject: CCL: ccsd(t) disc requirements
Message-Id: <-33864-070321143839-28874-S1sQQce0T8Zp8BRk/PXGFg]-[server.ccl.net>
X-Original-From: "Julia  Subbotina" <ysubboti(!)ucalgary.ca>
Date: Wed, 21 Mar 2007 14:38:35 -0400


Sent to CCL by: "Julia  Subbotina" [ysubboti%a%ucalgary.ca]
Dear CCLers
I have a problem with running CCSD(T)\ Ahlrichs pVDZ single point energy job. I am limited with my disc space (~110GB), but this job seems to need even more (Transformation cannot fit in the specified MaxDisk.). The input line is:
%mem=3GB
ccsd(t)/gen MaxDisk=100GB
And later I am expected to make a single point calculation for the bigger system than one I am struggling with now. I need a suggestion how i can handle this kind of problem. Any tips are welcome.

Thank you in advance,
Julia