Re: ionize (big, big, big system!)

From: Cesar Luis Avila (cavila_at_fbqf.unt.edu.ar)
Date: Mon Feb 12 2007 - 12:58:11 CST

You should check previous messages on the list, but as long as I can
recall, the ionize routine was not parallelized. So, it doesn't matter
how many processors you send the task for, you will be using only one.
Regards
Cesar

L. Michel Espinoza-Fonseca escribió:
> Hi,
>
> I've started to use the IONIZE program (kindly provided by Peter
> Freddolino) to add ions to a 2-million atom system. The net charge of
> my system is -3,600 e. I tried to neutralize such system by using 50
> processors (Altix) for 2 days, and nothing happened. Then I tried to
> do it on 100 processors, and the job was killed. Now I'm trying to do
> it with 500 processors (BladeCenter, AMD Opteron) and I'm waiting to
> see if this time the job will be completed. So here is my question: do
> you have any idea of how much time it could take to add such a big
> amount of ions?
>
> Thanks!
>
> Michel
>

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