Re: Two GPU-based workstation

From: James Starlight (jmsstarlight_at_gmail.com)
Date: Tue Oct 29 2013 - 08:20:22 CDT

Dear all,

thanks for suggestions!

I suppose that

5. You can of course run one simulation using all the cores and both
> GPUs simultanously, what is the best scenario here IMHO.

this is the partial answer to my question.

As I've told I have typical desktop with 6 pci/e slots and 1 coreI7 (4
cores) + 2 GPU + 4 RAM slots (each of 4gb or 8gb I dont remember it now
clearly :) ). I'd like to launch simulations ( water soluble as well as
membrane proteins using NAMD with the explicit solvents (50k and 80k atoms
resp) using both GPUs simultaneously and CPU for one run.
What another extra modification of my desktop as well as simulation
parameters should I take into account? Are any other specified drivers
needed for typical Linux-based multi GPU workstation?

James

2013/10/29 Norman Geist <norman.geist_at_uni-greifswald.de>

> And it’s always worth to try „twoawayx yes“ for small systems.****
>
> ** **
>
> Norman Geist.****
>
> ** **
>
> *Von:* Ajasja Ljubetič [mailto:ajasja.ljubetic_at_gmail.com]
> *Gesendet:* Dienstag, 29. Oktober 2013 10:46
> *An:* Norman Geist
> *Cc:* Shubhra Ghosh Dastidar; Namd Mailing List
>
> *Betreff:* Re: namd-l: Two GPU-based workstation****
>
> ** **
>
> 5. You can of course run one simulation using all the cores and
> both GPUs simultanously, what is the best scenario here IMHO.****
>
> ** **
>
> That depends strongly on the system size (and hardware configuration). For
> small systems (~50k atoms) it might be advantageous to run parallel
> simulations on each GPU card (while not oversubscribing the CPU). I usually
> just run some benchmarks before starting long simulations...****
>
> I completely agree with points 1-4 however:)****
>
> ** **
>
> Best regards,****
>
> Ajasja****
>

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