[AMBER] pmemd performance

From: colvin <colvin4367.gmail.com>
Date: Wed, 22 Sep 2010 16:02:13 +0800

Dear all,

I am running MD on a system consisting 112550 atoms using pmemd on a
quad-core workstation and it tooks about 17 hrs to complete 500ps.

Then, i run the same system on 2 quad-core connected with Gigabit
ethernet, and it took about 13 hrs.

Is this normal? or there are some configurations that can be made for
better performance?

This is my system specification:
Intel Xeon 2.67GHz, Quad-core, 4GB memory
pmemd compiled using ifort, mpich2

Pls advice.

Thank you very much.

Regards,
Colvin

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Received on Wed Sep 22 2010 - 01:30:04 PDT
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