Re: [AMBER] Tutorial 22 - aMD - how long should it last on Titan Black?

From: Karolina Markowska <markowska.kar.gmail.com>
Date: Thu, 29 Oct 2015 16:32:17 +0100

Hello Ross and prof. Case,

thank you very much for your answers.

Best regards,
Karolina

2015-10-29 16:08 GMT+01:00 Ross Walker <ross.rosswalker.co.uk>:

> >>
> >> Should it run so long or does that mean that something is wrong with
> >> software and/or hardware?
> >
> > If you want to check the timings on your machine vs what other get, it
> is much
> > better to use some of the benchmarks posted here:
> >
> > http://ambermd.org/gpus/benchmarks.htm#Benchmarks
> >
> > They are far shorter, for one thing. And they are more up to date.
> Numbers
> > for the Titan Black, however, are not there, so you may have to do some
> > guessing.
>
> Titan-Black with AMBER 14 should be about 270ns/day for DDHFR NVE 4fs (the
> first benchmark).
>
> All the best
> Ross
>
> /\
> \/
> |\oss Walker
>
> ---------------------------------------------------------
> | Associate Research Professor |
> | San Diego Supercomputer Center |
> | Adjunct Associate Professor |
> | Dept. of Chemistry and Biochemistry |
> | University of California San Diego |
> | NVIDIA Fellow |
> | http://www.rosswalker.co.uk | http://www.wmd-lab.org |
> | Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
> ---------------------------------------------------------
>
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Received on Thu Oct 29 2015 - 09:00:03 PDT
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