[gmx-users] about quality of CPUs with GPUS

Szilárd Páll pall.szilard at gmail.com
Fri Jul 7 15:10:53 CEST 2017


Hi,

By quality are you referring to performance? The ideal CPU-GPU balance
depends on the type of runs (system, settings, FF) too. However, in most
cases, for current GROMACS versions you will need many and fast cores to
balance with the 1080 Ti -- which is about the fastest gaming GPU out there.

What kind of simulations do you intend to run? Have you considered single
socket workstations systems instead of dual-socket Xeons?

Cheers,

--
Szilárd

On Fri, Jul 7, 2017 at 2:36 PM, Kumar Meena, Santosh <kumarmee at uni-mainz.de>
wrote:

> Dear all,
>
>
> Normally with 2GPU, 8CPUs or 16 CPUs are used for a system for better
> performance. Do you have any idea whether gromacs performance depends on
> the quality of these CPUs? if does so then how much differ for E5 2640 v4
> and E5 2667 v4. And for ES5 2667 v4 and ES5 2680 v4.
>
>
> We are planning to buy 2 GTX 1080 Ti with above CPUs.
>
>
>
> Thanks in advance.
>
>
> Dr. Santosh Kumar
>
> Postdoctoral Researcher
> ENS, Lyon, France
>
> E-mail:
> san.iitb at gmail.com<mailto:pchuy1906 at gmail.com>
> Mobile: +33769864884
>
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