Best NAMD version for Rocks 4.3 IBM xseries 3665

From: andrea carotti (andcar_at_chimfarm.unipg.it)
Date: Tue Sep 04 2007 - 06:06:32 CDT

Hi all,
I'm using NAMD to perform some MDs.
I've noticed that on the same hardware (IBM x3665 dual opteron dual core
(rocks 4.3 32-bit version)), using the TCP binaries and charmrun of the
last NAMD release, sometimes the CPUs (on similar biosystems and same
dyn protocols) goes to 60-80 %...the starnge thing is the different
behaviour.
So I'm asking to some gurus overthere if there is a better way to gain
performaces.
The network is gigabit (2 eth devices each node). 15 nodes.
Rocks 4.3 based on Centos. Openmpi and mpich installed.
Could someone point me out the right way to test?
Thanks a lot
Andrea

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 05:20:34 CST