From: Andrew Emerson (a.emerson_at_cineca.it)
Date: Thu Jul 10 2008 - 05:46:36 CDT
I want to use NAMD 2.6 on a Blue Gene/P machine. I have tried the
downloadable executable but the performance and scaling are very poor,
even with the twoAway options in the configuration file and setting
BG_MAPPING=TXYZ (the system is also a bit small, 33000 atoms but I cant
Are there any other "simple" fixes which might help ?
Assuming that the only solution is to compile it myself any suggestions
before I dive in ?
-- Dr Andrew Emerson CINECA (High Performance Systems) via Magnanelli, 6/3 40033 Casalecchio di Reno (BO)-ITALY e-mail: a.emerson_at_cineca.it
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