Hello Mish!
Have a look at this, if it would be helpful.
http://ambermd.org/gpus/recommended_hardware.htm#exxact
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09/08/18,
12:09:23 PM
On Thu, 9 Aug 2018 at 11:54 mish <smncbr.gmail.com> wrote:
> 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
> > >>> _______________________________________________
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> > >>> AMBER.ambermd.org
> > >>> http://lists.ambermd.org/mailman/listinfo/amber
> > >>
> > >>
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--
Thanks & Warm Regards
Malkeet S. Bahia, PhD
Post Doctoral Fellow at the lab of Prof. Hanoch Senderowitz
PBC Indo-Israel Post-doc fellowship
Dept. of Chemistry, Building 211, Room no. 211
Bar Ilan University, Ramat Gan, 5290002, ISRAEL
Mobile: +91-9815988501 (India, watts app only)
+972-584553434 (Israel number)
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Received on Thu Aug 09 2018 - 02:30:02 PDT
