From: James Starlight (jmsstarlight_at_gmail.com)
Date: Wed Oct 30 2013 - 08:12:58 CDT
Some extra questions-
1- Do I need special drivers optimizing dual GPU in Debian ?
2- Should I compile NAMD from sources for optimal performance ? Previouslu
I've used NAMD from Binaries ( using 1 gPU + 4 cores of i5 )
James
2013/10/29 Norman Geist <norman.geist_at_uni-greifswald.de>
> >Just remember, NAMD is very memory bandwidth hungry.****
>
> ** **
>
> Guess you mean PCIE bandwidth hungry?****
>
> ** **
>
> Norman Geist.****
>
> ** **
>
> *Von:* owner-namd-l_at_ks.uiuc.edu [mailto:owner-namd-l_at_ks.uiuc.edu] *Im
> Auftrag von *Ajasja Ljubetic
> *Gesendet:* Dienstag, 29. Oktober 2013 14:34
> *An:* James Starlight
> *Cc:* Norman Geist; Namd Mailing List
>
> *Betreff:* Re: namd-l: Two GPU-based workstation****
>
> ** **
>
> ** **
>
> 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?****
>
> ** **
>
> ****
>
> Make sure to pick a motherboard with two 16x speed PCIE ports. (Probably
> PCIE 3.0?). Personally I don't think you will see the scaling you desire.
> I.e., the GPUs will be underutilized. But then again, YMMV. Just remember,
> NAMD is very memory bandwidth hungry.****
>
> ** **
>
> Best regards,****
>
> Ajasja****
>
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