[gmx-users] Computer processor and graphics card choice

[Andrew Guy]

Hi Guillem,

I can answer your last question - the 10xx series does indeed work well
with GROMACS (currently running GROMACS 2016 with a GTX1070), although I
would be inclined to get the GTX1070 if your budget can stretch to it.

Andrew

On Fri, Dec 2, 2016 at 6:15 AM, Guillem Prats Ejarque <
Guillem.Prats.Ejarque at uab.cat> wrote:

> Dear colleagues,
>
>
> I want to buy a computer to perform molecular dynamics by GROMACS, and I
> have several questions.
>
>
> First of all, I am having doubts between the Intel Xeon E5-2620v4 (8
> cores, 2.1-3.0 GHz) and the i7-5820K (6 cores, 3.3-3.6 GHz). The reason of
> my doubts is the significantly lower clock rate of the Xeon processor.
> First I decided i7-5820k, but, although E5-2620 is at the limit of my
> budget, I would buy it only if the performance were significantly better.
>
>
> Moreover, after the release of the new 10xx NVIDIA series, I also have
> doubts about the graphics card. First I wanted to buy the GTX 970 (1664
> CUDA cores; 1050-1178 MHz clock; 224 GB/s Memory bandwidth; 3494 SP
> Gflop/s), but looking at the new GTX 1060 - 6 GB (1280 CUDA cores;
> 1506-1708 MHz clock; 192 GB/s Memory bandwidth; 3855 SP Gflop/s) which is
> in the same price range,  it seemed to me that it could have higher
> performance with the last one. Would GTX 1060 be better than GTX 970? Does
> anyone know if the 10xx series of NVIDA works well with GROMACS?
>
>
> Thanks in advance,
>
>
> Guillem
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