Re: [AMBER] Amber18 on NVIDIA Quadro Cards

From: mish <smncbr.gmail.com>
Date: Thu, 9 Aug 2018 09:54:41 +0100

Hi all,

Many thanks to everyone for the kind advice.

I already had off the table discussion with the concerned people about
putting-in GPUs on my own, but that is a risky way to go. Dell is offering
them additional discounts, and 2 years of additional warranty in all the
machines. I (and also University) may have issues if Dell figures will it
out when repairing.

I am also afraid that it may be possible to figure it out easily (through
logs) that which components were being used at the time of ( or caused)
crash!

But many thanks Ross, I would settle this with P4000 as of now.


Regards,
Mish


On Wed, Aug 8, 2018 at 8:13 PM, James Kress <jimkress_58.kressworks.org>
wrote:

> In the 30 years I have been dealing with Dell, and many other vendors, the
> mantra is always the same. I.e. you may put the foreign components into
> the
> computer your purchase/ lease from us. However, we will not provide
> support
> (i.e. including warranty) for your SYSTEM for problems involving/ caused by
> the foreign components you have installed. They will provide support for
> the unmodified system.
>
> My comment was just a warning so you do not get burned if something goes
> wrong with the modified SYSTEM.
>
> You can believe or ignore other's opinions. The choice is yours.
>
> Jim
>
> -----Original Message-----
> From: Ross Walker <ross.rosswalker.co.uk>
> Sent: Wednesday, August 08, 2018 2:54 PM
> To: AMBER Mailing List <amber.ambermd.org>
> Subject: Re: [AMBER] Amber18 on NVIDIA Quadro Cards
>
> You do not invalidate your warranty with Dell by placing 1080TI cards in
> their workstations. You just don't inherit the Dell warranty onto the
> 1080TI
> cards.
>
> > On Aug 8, 2018, at 1:48 PM, David Cerutti <dscerutti.gmail.com> wrote:
> >
> > Agreed. While GTX-1080Ti has long been the price point for
> > simulations, Dell's going to bite you back if you start doing things to
> their machines.
> > The contract that locks you into Dell is probably built on incentives
> > like discounts and a deluxe warranty, which you will be forfeiting if
> > you change the hardware (or OS). I'd talk to your acquisitions people
> > (start with your department administrator, ask him or her who to speak
> > to, and go from there). See If you can get a special dispensation and
> > start constructing your own machine. Gaming systems companies will
> > build you a desktop with dual GTX-1080Ti cards no problem, but they
> > may be politically impossible for your acquisitions department to do
> business with.
> >
> > Dave
> >
> >
> > On Wed, Aug 8, 2018 at 1:23 PM James Kress
> > <jimkress_58.kressworks.org>
> > wrote:
> >
> >> "buy a couple of 1080TIs on Amazon and put those in in its place"
> >>
> >> Be careful. Dell will probably not support these cards and their
> >> implementation. You should contact Dell and get clarification of how
> >> adding these cards will affect your warranty and service contracts.
> >>
> >> Jim Kress
> >>
> >>
> >> -----Original Message-----
> >> From: Ross Walker <ross.rosswalker.co.uk>
> >> Sent: Wednesday, August 08, 2018 12:55 PM
> >> To: AMBER Mailing List <amber.ambermd.org>
> >> Subject: Re: [AMBER] Amber18 on NVIDIA Quadro Cards
> >>
> >> 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
> >>> _______________________________________________
> >>> AMBER mailing list
> >>> AMBER.ambermd.org
> >>> http://lists.ambermd.org/mailman/listinfo/amber
> >>
> >>
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Received on Thu Aug 09 2018 - 02:00:02 PDT
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