[gmx-users] How to redirect the calculation load toward GPU

[Szilárd Páll]

Please post a log file, that would help with giving you more concrete
advice. My guess is that you're running reaction-field (otherwise you
must have tuned off PP-PME load balancing), but I'll comment more when
I see a log file.

Cheers,
--
Szilárd


On Mon, Apr 7, 2014 at 4:33 PM, Dario Corrada <dario.corrada at gmail.com> wrote:
> I have a machine with AMD Athlon 64 dual core with an NVIDIA GeForce GTX
> 480.
>
> In order to optimize performances I'd like to redirect my calculation toward
> GPU as much as possible.
>
> I tried mdrun -nt 1 -nb gpu ..., but I have obtained such kind of message:
>
> NOTE: The GPU has >25% less load than the CPU. This imbalance causes
> performance loss.
>
> How can I improve mdrun performance?
>
> --
> Dario CORRADA, PhD
> Bioinformatics and Computational Chemistry specialist
>
> URL......: http://it.linkedin.com/in/dariocorrada/
> mail.....: dario.corrada at gmail.com
> skype....: dario.corrada
> tel......: +39 333 5347024
> address..: via Benvenuto Cellini, 4 - 20900 Monza IT
>
> "When you have eliminated the impossible, whatever remains, however
> improbable, must be the truth."
> [A.C. Doyle]
>
> --
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