[AMBER] amber12 GPU performance degrades?

From: Guanglei Cui <amber.mail.archive.gmail.com>
Date: Tue, 28 Jan 2014 11:37:07 -0500

Dear AMBER users,

I am doing some benchmark on a node with two M2090 cards. For my test
system (~26K atoms and NVT), I'll get 36.7ns/day (pmemd.cuda on 1 GPU) and
43.5ns/day (pmemd.cuda.MPI on both GPUs). So it makes sense to run two
separate simulations, 1 on each GPU. From what I read, amber12 GPU code
should perform almost equally well in such situations. However, I observe a
performance drop (almost 50%). I have limited experience with the code. I
wonder if someone could give me some hints as to what might be causing the
performance degradation. I don't have a lot details on the hardware specs
of the node, but I can ask if certain factors are more important.

Thanks in advance!

Best regards,
Guanglei Cui
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Received on Tue Jan 28 2014 - 09:00:02 PST
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