Subject: Re: CCL:Gaussian

From: Gustavo Seabra <gustavo.seabra/at/gmail.com>
Date: Wed, 9 Mar 2005 09:58:25 -0600

On Tue, 08 Mar 2005 15:03:52 +0100, Lucilla angeli
<angeli2/at/student.unisi.it> wrote:
>   Dear CCLers
> > I'm trying to perform an ab-initio calculation with Gaussian03
> > (mp2=full/6-31+g(d,p) geom=connectivity) on molecule of 197 atoms.
> > I have never performed such a calculation before.
> > I don't know how to set % mem to an appropiate value for my calculation.
> > Can anyone help me?
> >
> > Thanks in advance
> > Regards
> >
> > Lucilla

Hi Lucilla,

You didn't mention if you have already tried without the %mem keyword
but, since you are asking, I'll assume you did. In this case, what
error messages you get? In general, all you have to do is to figure
out how many memory your machine has available, and use

% Mem=XXXXXX

on the beggining of your input file, where XXXXXX is the available
memory in bytes. If you are using Linux, you can use the 'free'
command to see how much memory is available.

HTH.

-- 
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Gustavo Seabra                 Graduate Student
Chemistry Dept.         Kansas State University
Registered Linux user number 381680
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If at first you don't succeed...
                              ...skydiving is not for you.