AMBER Archive (2004)

Subject: AMBER: sander on multiprocessors

From: cailliez (Fabien.Cailliez_at_ibpc.fr)
Date: Tue Jul 06 2004 - 02:38:39 CDT

Dear AMBER users,

I am running AMBER7 on a cluster of SGI Origin 3800 with mpi.
I did a test by changing the number of processors to use, and I observed
differences
in the results.
My test ran only during 3 ps but I already saw differences after 500
steps (1 ps).
I do not see clearly why there should be differences when I change the
number
of processors since all the processors are identical as far as I know.
Does anyone ever experienced this ? Or does anyone know if these
differences are normal
and where they come from ?

Thank you in advance for your answers,
Sincerely yours,
Fabien 

-- 
__________________________________________________________________
Fabien Cailliez				Tel : 01 58 41 51 63				
Laboratoire de Biochimie Théorique	e-mail : cailliez_at_ibpc.fr
IBPC	13, rue Pierre et Marie Curie 		
75005 Paris					
__________________________________________________________________

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