AMBER: sander on multiprocessors

From: cailliez <>
Date: Tue, 06 Jul 2004 09:38:39 +0200

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
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
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 Cailliez				Tel : 01 58 41 51 63				
Laboratoire de Biochimie Théorique	e-mail :
IBPC	13, rue Pierre et Marie Curie 		
75005 Paris					
The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" to
Received on Tue Jul 06 2004 - 09:53:00 PDT
Custom Search