AMBER Archive (2003)

Subject: RE: 3 simultaneous simulations in one computer

From: Ross Walker (ross_at_rosswalker.co.uk)
Date: Thu Jul 10 2003 - 07:01:57 CDT

Dear Pekka,

Short answer "a lot".

More than the (2/3) * cpu speed you would expect since you will have
contention issues on your memory bus and also for disk access. It would
quicker to wait for the current 2 calculations to finish and then run
the 3rd calculation as dual cpu than it would be to run 3 calculations
on a dual cpu machine.

All the best
Ross

> -----Original Message-----
> From: ptolonen_at_cc.joensuu.fi [mailto:ptolonen_at_cc.joensuu.fi]
> Sent: 10 July 2003 12:20
> To: amber_at_heimdal.compchem.ucsf.edu
> Subject: 3 simultaneous simulations in one computer
>
>
> Hei!
>
> I'm using Amber 7 in a Dell Precision computer witch has two
> processors in it.
> I already have two molecular dynamics simulations of antibody
> variable domain
> going. How much would the calculations slow down if I added a
> third one? Or is
> it wise to do so?
>
> Pekka Tolonen
> University of Joensuu, Finland
>
>
>