Re: AMBER: Different results between serial and parallel runs in AMBER 8

From: David A. Case <>
Date: Tue, 7 Mar 2006 08:23:21 -0800

On Tue, Mar 07, 2006, Ilyas Yildirim wrote:

> But it
> is mind bugging to see different results when inpcrd does not have any
> velocity info in it.

Sigh....I had hoped to have explained the cause of that result in my earlier
e-mail. A program that relies on a pseudo-random number generator needs to
take special steps to make sure that the exact sequence of pseudo-randoms
is maintained, regardless of the number of cpus. (That is, this needs to be
done *if* one wants the "comfort" of having identical results.)


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Received on Sun Mar 12 2006 - 06:10:13 PST
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