Hi Gleb,
Looking at the specs for a Z420 here:
http://www8.hp.com/h20195/v2/GetPDF.aspx/c04111468.pdf <
http://www8.hp.com/h20195/v2/GetPDF.aspx/c04111468.pdf>
It shows only a 600W power supply which is not going to be enough for 2 GPUs unfortunately. You could potentially pull the Quadro 600 out and replace it with a GeForce GPU but even then that might be close to the limit on power. It can probably run a GTX1080 fine but I'd be wary going to a 1080TI. It depends on how much else in the box, hard drives etc.
Note the 'modern' M6000 you talk about is actually a generation old based on the Maxwell architecture. It's actually equivalent to the old Titan-X which is the same line as the GTX980 / 980TI. Your options right now on GPU would be GTX1080/1080TI/Titan-Xp or a Quadro GP100 or Quadro P6000. The later two are very expensive. If you don't want to buy a new machine my advice would be to get a GTX1080 and replace the Quadro 600 in your existing Z420. If you want more GPUs than this then you need to go with a machine capable of supporting multiple GPUs. For example the Exxact systems listed on the AMBER site: http://ambermd.org/gpus/recommended_hardware.htm#hardware <http://ambermd.org/gpus/recommended_hardware.htm#hardware> which can support up to 4 GPUs in a desktop format. I'd recommend going with GTX1080TI for these since they give the best bang for the buck.
Alternatively you could build you own system. There is a shopping list on the same page of the AMBER website: http://ambermd.org/gpus/recommended_hardware.htm#diy <http://ambermd.org/gpus/recommended_hardware.htm#diy> although I need to update this a little.
Hope that helps
All the best
Ross
> On Jul 12, 2017, at 4:46 AM, James Starlight <jmsstarlight.gmail.com> wrote:
>
> Dear Amber Users!
>
> I wonder to ask your suggestions regarding an optimal system for the
> upper middle-range multi-GPU work-station. Now I have some a good HP
> desktop (HP Z420)
> equipped with the following devises:
>
> CPU: Intel Xeon E5-1620 3.60Ghz 10MB 1600 4C
> 6GB DDR3-1600 ECC
> NVIDIA Quadro 600 1GB Graphics
>
>
> To adapt this machine for MD simulations I would like to install 64 GB
> of the RAM and put 2-3 new GPUs. Due to my scientific tasks I need to
> run 2-3 independent MD jobs with Amber for simulations of the GPRC
> systems (60.000 atoms, with membrane in NPT ensemble), assuring that I
> would like to obtain performance in order of 50 ns/day
>
>
> For my case will it be good to replace existing QUADRO 600 on
> up-to-date gamers GTX cards (e.g GTX 1080 or TITAN X) or prefer a
> modern QUADRO (M6000) with a less gpu memory?
>
> I thank you so much for the suggestions!
>
> Gleb
>
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Received on Wed Jul 12 2017 - 06:00:06 PDT
