Re: [AMBER] Amber18 on NVIDIA Quadro Cards

From: Ross Walker <ross.rosswalker.co.uk>
Date: Thu, 9 Aug 2018 06:40:16 -0700

> 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.


Yes and remember - Vaccines give you autism.

> On Aug 9, 2018, at 01:54, 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
>>>>> _______________________________________________
>>>>> AMBER mailing list
>>>>> AMBER.ambermd.org
>>>>> http://lists.ambermd.org/mailman/listinfo/amber
>>>>
>>>>
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Received on Thu Aug 09 2018 - 07:00:02 PDT
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