Re: [AMBER] Replica Exchange on a single Titan-X GPU

From: filip fratev <>
Date: Mon, 23 Mar 2015 15:35:13 +0000 (UTC)

Hi,Look here:
As you can see the Titan X shows, at least for me, disappointing results -about 23% more than the "original" Titan. Ross can comment what one can expect after the Maxwell optimization but even after that GTX980 looks better solution if you don't want to waste money. To best of my knowledge the multi GPU system is the better option for Replica exchange (one GPU for each replica).

     On Monday, March 23, 2015 5:19 PM, amr hamed <> wrote:

 Dear all,
I would like to know the performance of running a replica exchange
simulation on a single gpu (namely the latest nvidia gpu, the titan-x which
has 12 GB of ram).
What do you recommend for this type of simulation: one titan-x or 2 gtx 980?

Best Regards
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Received on Mon Mar 23 2015 - 09:00:18 PDT
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