[AMBER] Using multiple CPU cores with pmemd.cuda

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From: Filippo Pullara <filippo.pullara.amber.gmail.com>
Date: Fri, 18 Jan 2013 12:02:15 -0500

Dear all,

I'm wondering if it is possible to use more than one CPU core during molecular dynamics with pmemd.cuda or if this option will not enhance calculation performances.

I use Amber12 with several GPU (GTX690, GTX680, M2090 and K20) in different systems and I see that the speed is affected by the CPU in use.

Thank you in advance for your help,

Filippo Pullara
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Received on Fri Jan 18 2013 - 09:30:02 PST