Re: Time of MD

From: Mark Abraham (mark.abraham_at_anu.edu.au)
Date: Sat Jul 01 2006 - 01:05:18 CDT

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> Hello
>
> When I run a MD simulation on 1 PC (using namd) the time involve in the
> process is lower than if I use 2 PC with Charmrun soft. ¿It is possible?

Sure. You could pull a carriage with one horse at a given speed, or use
two horses but only feed them a quarter of the food....

> The simulation is:
>
> A protein in a water box (9250 total atoms). The PCs are connected in a
> window network but the time is :
>
> using 1 PC(localhost): WallClock: 497.609009 CPUTime: 497.608002 Memory:
> 0 kB
> using 2 PC(Windows Network): WallClock: 562.856018 CPUTime: 562.854980
> Memory: 0 kB

Look at how you've configured the network for Charmrun.

Mark

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