Hi Mish,
Amber will run fine on those Quadro card. A P4000 will be about halfway between a GTX1070 and a GTX1060 in terms of speed. So not great considering what they cost. I'd guesstimate about 300 ns/day for DHFR NVE 4fs on a P4000 - so about half the speed, maybe a little less of a P6000 / 1080TI.
If your IT department are forcing you to buy Dell then the best option is to buy it with the cheapest graphics card you can, throw that out when it arrives, buy a couple of 1080TIs on Amazon and put those in in it's place. Just make sure the power supply is beefy enough and there are enough open PCIe X16 slots in the machine.
All the best
Ross
> On Aug 8, 2018, at 11:51 AM, mish <smncbr.gmail.com> wrote:
>
> Dear all
>
> Just in case some is using NVIDIA Quadro P2000/P4000 cards, I want to ask
> if pmemd.cuda can run on NVIDIA Quadro P2000/P4000(8GB, 4DP (7X20T) cards?
> If yes, how slow these can be compared to Quadro P6000 (~ 600 ns/day on
> ~23K atoms)?
>
> We are bound to buy a machine from DELL only, and they can not offer a
> workstation with GeForce cards as of now.
>
> In general, which Quadro can be a reasonable choice for Amber18 in this
> GTX-1080 budget?
>
> Best,
> Mish
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Received on Wed Aug 08 2018 - 10:00:01 PDT
