AMBER Archive (2005)

Subject: Re: AMBER: setting up Parallel processing

From: Robert Duke (rduke_at_email.unc.edu)
Date: Thu May 26 2005 - 11:15:30 CDT

Matthew,
Something like this will work for pmemd because it does dynamic load
balancing. However, there is a hidden requirement that the chip used on all
machines produce identical results for a given calculation (so you need to
be running the same compiland on the same basic type of processor). I have
done this successfully, but consider it not the best setup unless the chips
are close in speed. There is no support for heterogeneous platforms
whatsoever - you can't mix processor types without risking lots of grief. I
presume sander would only run at the rate of the slowest processor in this
configuration, but maybe there have been some changes I have not kept
abreast of.
Regards - Bob Duke

----- Original Message -----
From: "mathew k varghese" <mathew_kvarghese_at_yahoo.co.in>
To: <amber_at_scripps.edu>
Cc: <ross_at_rosswalker.co.uk>
Sent: Thursday, May 26, 2005 11:39 AM
Subject: AMBER: setting up Parallel processing

> Dear AMBER users,
>
> I have a simple question. Is it possible to set up a
> parallel processing system with two P4 processor
> machines with different configuration?(1.7 GHz and
> 2.8GHz). If possible what are the hardware and
> software necessary for this?
> Is it possible for a person without much hardware
> knowledge to do this?
> Thanks in advance
>
>
> ===========================================================================
>
> /\/\athew
>
> Mathew K Varghese
> Research Scholar
> School of Pure and Applied Physics
> M.G.University
> Kottayam, Kerala
> India
>
> email mathew_kvarghese_at_yahoo.co.in
>
> ===========================================================================
>
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