AMBER: NEC and Regatta

From: Filip Lankas <filip.lankas.epfl.ch>
Date: Mon, 28 Jun 2004 13:47:26 +0200

Dear Amber users,

does anyone have an experience with running Amber 7/8 on

1. NEC SX-5

2. IBM Regatta p690 (with Power4 CPUs)

What speed and what scaling (with no. of atoms and no. of processors)
can one expect? How would it compare with, say, Alpha ES45 connected
with Quadrix? Are there some peculiarities to be aware of?

I'm particularly interested in running explicit-solvent MD with PME.

Thanks a lot in advance,

Filip 

-- 
---------------------------------------------
Dr. Filip Lankas
Bernoulli Institute for Mathematics
EPFL (Swiss Federal Institute of Technology)
CH-1015 Lausanne
Tel: +41 21 693 2593    Fax: +41 21 693 5530
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Received on Mon Jun 28 2004 - 13:53:00 PDT
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