Subject: CCL: Memory promblems with MacSpartan plus.

From: Mark Blair <[email-masked]>
Date: Fri, 17 Jan 1997 07:50:06 -0600

Dear CCLers,

        Hello, my name is Mark Blair and I am an undergraduate student
at
Southwestern Oklahoma State University in Woodward Oklahoma.  My
research professor (Dr. Kelly, [email-masked]) and I have just 
recieved MacSpartan Plus software for power Mac's.

        The software works great, but we have run into a small problem.
When trying to calculate the electron spin densities on simple radical
anions using ab initio calculations with the 3-21G* basis sets,we
recieve
an out of memory error.  (We have a 128MEGS of memory!)  Some related 
radical anions perform with no problem.   
(2-nitro-2-cyanopropane radical anion)  The memory problem occurs when
we try to do the calculations on the 2-nitro-2-chloropropane radical
anion.

        I would like to recieve email from people who are doing similar
work
or from people who have had the same memory problem and wish to share
solutions, gripes, or tears.  I will summarize solutions to the list.

        Many Thanks,
        Mark Blair