P.S. the mb of the HP desktop has 2 PCI-e 2.0 16x slots. Is it good
for the up-to-date NVIDIA cards which have PCI 3.0 interface?
Gleb
2017-07-12 15:47 GMT+02:00 James Starlight <jmsstarlight.gmail.com>:
> Hi Ross,
>
> Thank you so much for the detailed information!
> Please find below my additional questions regarding upgrade of my HP desktop:
>
> 1- To fix the power problem, I am going to change the default 600W on
> the 1000W power suply, assuming that I am going to build a 2 GTX 1080
> or TITAN workstation.
>
> 2 - Is it good to use a default CPU Intel Xeon E5-1620 3.60Ghz 10MB
> 1600 4C. Does the 4 cpu cores in principle support 4 GPUs?
>
> 3 - Should I install an additional cooling within the desktop assuming
> that there are no additional hard-drives inside.
>
>
> Many thanks for the help!
>
>
> With best regards,
>
> Gleb
>
> 2017-07-12 14:59 GMT+02:00 Ross Walker <ross.rosswalker.co.uk>:
>> 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
>>>
>>> _______________________________________________
>>> AMBER mailing list
>>> AMBER.ambermd.org
>>> http://lists.ambermd.org/mailman/listinfo/amber
>> _______________________________________________
>> AMBER mailing list
>> AMBER.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber
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Received on Wed Jul 12 2017 - 07:00:04 PDT
