namd scale-up

From: Revthi Sanker (
Date: Wed Sep 04 2013 - 02:43:24 CDT

Dear all,
I am running NAMD on the super cluster at my institute. My system consists
of 3 L atoms roughly. I am aware that the scale up depends on the
configuration of the cluster I am currently using. But the people at the
computer center would like to get a rough estimate of the the Benchmark
(ns/day) for a system size of mine. Anybody who is aware of the yield for
this system size, please let me know as I am not sure if what I am getting
currently (*2.5 ns/day *for 8 nodes* 16 processors=128) is optimum or can
it be tweaked further.

Thank you so much for your time :)

M.S. Research Scholar
Indian Institute Of Technology, Madras

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