Re: [AMBER] Amber18 on NVIDIA Quadro Cards

From: James Kress <jimkress_58.kressworks.org>
Date: Wed, 8 Aug 2018 15:13:27 -0400

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 Wed Aug 08 2018 - 12:30:01 PDT
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