VMD-L Mailing List

From: L. Michel Espinoza-Fonseca (mef_at_ddt.biochem.umn.edu)
Date: Mon Aug 28 2006 - 00:44:24 CDT

Hi all,

I've been testing the autoionize plugin using VMD 1.8.5 and a 8M atoms
system. Even though I haven't tried the ionize program yet, I wanted
to see how autoionize behaves with such a big system. I ran autoionize
on a 48-processor Altix machine with 96 GB of RAM, and autoionize has
been working for more than a day and still doesn't finish! I'm not
complaining at all, I'm just sharing what I'm getting. It might be
useful to mention that VMD is using only 1 processor out of the 48
available, and the memory requirements averages 6 GB.

That's all for now, I'll keep testing it and I'll make you know about
the results.

Enjoy!

Michel