Re: [AMBER] Provisional RTX2080 AMBER 18 Performance Numbers

From: Marek Maly <marek.maly.ujep.cz>
Date: Tue, 09 Oct 2018 15:18:29 +0200

Thanks Ross !

   Marek

Dne Tue, 09 Oct 2018 15:14:20 +0200 Ross Walker <ross.rosswalker.co.uk>
napsal/-a:

> Hi Marek,
>
> Yes at present it looks like 2 RTX2080 GPUs (and I assume 2080TI) with
> stock cooling in a 2U or 4U machine should be fine. As long as the
> chassis lets you install the GPUs with a gap between them.
>
> All the best
> Ross
>
>> On Oct 8, 2018, at 06:15, Marek Maly <marek.maly.ujep.cz> wrote:
>>
>> Hi Ross,
>>
>> thanks for info !
>>
>> 1) So in your opinion two "RTX2080 Ti" in 2U or 4U server should be OK
>> with regarding
>> to cooling, am I right ? Probably also in this case (just 2
>> GPUs/server) will be necessary (suitable) at least one empty PCI-E slot
>> between the GPUs, am I right ?
>>
>>
>> 2) Could be possible to add "RTX2080" and "RTX280 Ti" GPUs in the list
>> of
>> supported
>> Amber18 GPUs - e.g. here http://ambermd.org/GPUHardware.php - soon ?
>> We are using this www page in our HW specification, when buying some
>> new CPU/GPU nodes.
>>
>> Thanks,
>>
>> Best wishes,
>>
>> Marek
>>
>>
>>
>>
>>
>> Dne Fri, 05 Oct 2018 15:39:30 +0200 Ross Walker <ross.rosswalker.co.uk>
>> napsal/-a:
>>
>>> Hi Marek,
>>>
>>> My expectation for 2080TI is ~25 to 30% over 1080TI. I should have some
>>> firm numbers in about 2 to 3 weeks. Note the cooling design is the same
>>> so the founders/reference design cards will have the same issues with
>>> multiple cards in a box as the RTX2080 and will need custom cooling
>>> solutions.
>>>
>>> In terms of performance per dollar things do not look good due to
>>> NVIDIA's price inflation. You are looking at a 70+% increase in price
>>> for a ~30% increase in performance, an increase one historically has
>>> always got for free with each new generation of hardware so I would not
>>> exactly call the RTX2080TI a technological improvement over the 1080TI.
>>> In real terms it is a step backwards by around 4 years.
>>>
>>> All the best
>>> Ross
>>>
>>>> On Oct 5, 2018, at 09:17, Marek Maly <marek.maly.ujep.cz> wrote:
>>>>
>>>> Hi Ross,
>>>>
>>>> thanks a lot for this first RTX2080/Amber18 tests and important
>>>> technical comments.
>>>>
>>>> I think that your "1080Ti vs 2080/Amber18" results are rather in good
>>>> agreement
>>>> with comparison of these two GPUs on
>>>>
>>>> https://www.videocardbenchmark.net/high_end_gpus.html
>>>>
>>>> But what I really look forward to (also because we are planning some
>>>> HW updates ...) are Amber18 benchmarks with "RTX 2080 Ti", where
>>>> seems
>>>> to be higher difference comparing to 1080 Ti and also lets hope that
>>>> in this actual "GTX Top model" will be also cooling a bit more
>>>> satisfying...
>>>>
>>>> When do you think could be "2080 Ti/Amber18" provisional benchmarks
>>>> available ?
>>>>
>>>> Best wishes,
>>>>
>>>> Marek
>>>>
>>>>
>>>>
>>>>
>>>>
>>>> Dne Fri, 05 Oct 2018 14:32:07 +0200 Ross Walker
>>>> <ross.rosswalker.co.uk>
>>>> napsal/-a:
>>>>
>>>>> TLDNR: NVIDIA RTX2080 works with AMBER 18, gives the correct answers
>>>>> in provisional tests and gets performance equivalent to a 1080TI as
>>>>> long as you don't put more than 2 in a box without some kind of
>>>>> custom
>>>>> cooling solution. NVIDIA price inflation is alive and kicking so perf
>>>>> per dollar is down ~15%.
>>>>>
>>>>>
>>>>> Dear Amberites
>>>>>
>>>>> I have finally managed to get my hands on some reference design
>>>>> RTX2080 GPUs (another month or so for 2080TI) and had a chance to
>>>>> test
>>>>> them with AMBER 18. First impressions are that the reference design
>>>>> cooler for the RTX series is crap.
>>>>>
>>>>>
>>>>>
>>>>> Unless there is a big space (at least 1 PCI-E unit, but ideally 2)
>>>>> between cards then the cards massively overheat, even when running
>>>>> their fans at 100% which causes them to significantly downclock. The
>>>>> following is an example with 4 cards running at once:
>>>>>
>>>>> Thu Oct 4 21:08:08 2018
>>>>> +-----------------------------------------------------------------------------+
>>>>> | NVIDIA-SMI 410.57 Driver Version:
>>>>> 410.57 |
>>>>> |-------------------------------+----------------------+----------------------+
>>>>> | GPU Name Persistence-M| Bus-Id Disp.A | Volatile
>>>>> Uncorr. ECC |
>>>>> | Fan Temp Perf Pwr:Usage/Cap| Memory-Usage | GPU-Util
>>>>> Compute M. |
>>>>> |===============================+======================+======================|
>>>>> | 0 GeForce RTX 2080 On | 00000000:19:00.0 Off
>>>>> | N/A |
>>>>> | 42% 76C P2 178W / 215W | 281MiB / 7952MiB | 95%
>>>>> Default |
>>>>> +-------------------------------+----------------------+----------------------+
>>>>> | 1 GeForce RTX 2080 On | 00000000:1A:00.0 Off
>>>>> | N/A |
>>>>> | 90% 87C P2 112W / 215W | 281MiB / 7952MiB | 96%
>>>>> Default |
>>>>> +-------------------------------+----------------------+----------------------+
>>>>> | 2 GeForce RTX 2080 On | 00000000:67:00.0 Off
>>>>> | N/A |
>>>>> | 93% 87C P2 100W / 215W | 281MiB / 7952MiB | 96%
>>>>> Default |
>>>>> +-------------------------------+----------------------+----------------------+
>>>>> | 3 GeForce RTX 2080 On | 00000000:68:00.0 Off
>>>>> | N/A |
>>>>> |100% 87C P2 74W / 215W | 281MiB / 7951MiB | 97%
>>>>> Default |
>>>>> +-------------------------------+----------------------+----------------------+
>>>>> Note the top card runs well maintaining 76C at 178W with the fan at
>>>>> just 42%. The remaining cards are close to 100% fan speed, thermal
>>>>> limited at 87C and only drawing ~100W. That means they have clocked
>>>>> down significantly and are still overheating. I am working with
>>>>> Exxact
>>>>> to engineer a solution and I am confident we can get these working in
>>>>> 4 and 8xGPU configs but for the time being if you are building your
>>>>> own stock machines do not put more than 2 of these in a box and make
>>>>> sure you space them out. PNY are going to make more traditional
>>>>> blower
>>>>> design versions of the RTX GPUs which hopefully will not have this
>>>>> cooling issue. I should have a chance to test some of those in a few
>>>>> weeks.
>>>>>
>>>>> The good news is the AMBER 18 test cases, and the validation suites I
>>>>> have, all pass. Performance of the RTX2080 is on par (as long as you
>>>>> have the cards spaced out or have an auxiliary cooling solution),
>>>>> with
>>>>> the 1080TI, which is what history, and ratio'ing the flop counts,
>>>>> would have us expect.
>>>>>
>>>>> Note these are provisional numbers for the 2080. Performance may
>>>>> improve some once optimizations for the SM7.5 hardware have been made
>>>>> although I wouldn't expect any miracles.
>>>>>
>>>>> JAC_PRODUCTION_NVE - 23,558 atoms PME 4fs
>>>>> -----------------------------------------
>>>>>
>>>>> 2080 1 x GPU: | ns/day = 761.01 seconds/ns =
>>>>> 113.53
>>>>> 1080TI 1 x GPU: | ns/day = 776.83 seconds/ns =
>>>>> 111.22
>>>>>
>>>>> JAC_PRODUCTION_NPT - 23,558 atoms PME 4fs
>>>>> -----------------------------------------
>>>>>
>>>>> 2080 1 x GPU: | ns/day = 713.93 seconds/ns =
>>>>> 121.02
>>>>> 1080TI 1 x GPU: | ns/day = 733.55 seconds/ns =
>>>>> 117.78
>>>>>
>>>>> JAC_PRODUCTION_NVE - 23,558 atoms PME 2fs
>>>>> -----------------------------------------
>>>>>
>>>>> 2080 1 x GPU: | ns/day = 399.97 seconds/ns =
>>>>> 216.02
>>>>> 1080TI 1 x GPU: | ns/day = 409.26 seconds/ns =
>>>>> 211.11
>>>>>
>>>>> JAC_PRODUCTION_NPT - 23,558 atoms PME 2fs
>>>>> -----------------------------------------
>>>>>
>>>>> 2080 1 x GPU: | ns/day = 367.69 seconds/ns =
>>>>> 234.98
>>>>> 1080TI 1 x GPU: | ns/day = 377.10 seconds/ns =
>>>>> 229.12
>>>>>
>>>>> FACTOR_IX_PRODUCTION_NVE - 90,906 atoms PME
>>>>> -------------------------------------------
>>>>>
>>>>> 2080 1 x GPU: | ns/day = 130.48 seconds/ns =
>>>>> 662.19
>>>>> 1080TI 1 x GPU: | ns/day = 121.95 seconds/ns =
>>>>> 708.48
>>>>>
>>>>> FACTOR_IX_PRODUCTION_NPT - 90,906 atoms PME
>>>>> -------------------------------------------
>>>>>
>>>>> 2080 1 x GPU: | ns/day = 123.86 seconds/ns =
>>>>> 697.55
>>>>> 1080TI 1 x GPU: | ns/day = 113.46 seconds/ns =
>>>>> 761.48
>>>>>
>>>>> CELLULOSE_PRODUCTION_NVE - 408,609 atoms PME
>>>>> --------------------------------------------
>>>>>
>>>>> 2080 1 x GPU: | ns/day = 26.73 seconds/ns =
>>>>> 3232.72
>>>>> 1080TI 1 x GPU: | ns/day = 26.14 seconds/ns =
>>>>> 3305.84
>>>>>
>>>>> CELLULOSE_PRODUCTION_NPT - 408,609 atoms PME
>>>>> --------------------------------------------
>>>>>
>>>>> 2080 1 x GPU: | ns/day = 25.30 seconds/ns =
>>>>> 3414.99
>>>>> 1080TI 1 x GPU: | ns/day = 24.72 seconds/ns =
>>>>> 3495.08
>>>>>
>>>>> STMV_PRODUCTION_NPT - 1,067,095 atoms PME
>>>>> -----------------------------------------
>>>>>
>>>>> 2080 1 x GPU: | ns/day = 16.17 seconds/ns =
>>>>> 5344.36
>>>>> 1080TI 1 x GPU: | ns/day = 15.09 seconds/ns =
>>>>> 5727.20
>>>>>
>>>>> TRPCAGE_PRODUCTION - 304 atoms GB
>>>>> ---------------------------------
>>>>>
>>>>> 2080 1 x GPU: | ns/day = 1191.46 seconds/ns =
>>>>> 72.52
>>>>> 1080TI 1 x GPU: | ns/day = 1301.05 seconds/ns =
>>>>> 66.41
>>>>>
>>>>> MYOGLOBIN_PRODUCTION - 2,492 atoms GB
>>>>> -------------------------------------
>>>>>
>>>>> 2080 1 x GPU: | ns/day = 490.54 seconds/ns =
>>>>> 176.13
>>>>> 1080TI 1 x GPU: | ns/day = 448.95 seconds/ns =
>>>>> 192.45
>>>>>
>>>>> NUCLEOSOME_PRODUCTION - 25,095 atoms GB
>>>>> ---------------------------------------
>>>>>
>>>>> 2080 1 x GPU: | ns/day = 10.89 seconds/ns =
>>>>> 7935.83
>>>>> 1080TI 1 x GPU: | ns/day = 10.14 seconds/ns =
>>>>> 8520.32
>>>>>
>>>>> Note if you compare against 4 GPUs with no additional cooling the
>>>>> clocking down of the 2080s is obvious.
>>>>>
>>>>> JAC_PRODUCTION_NVE - 23,558 atoms PME 4fs - Runnin 4 independent
>>>>> calculations at once.
>>>>>
>>>>> 2080
>>>>> [0] 1 x GPU: | ns/day = 761.27 seconds/ns =
>>>>> 113.49
>>>>> [1] 1 x GPU: | ns/day = 676.54 seconds/ns =
>>>>> 127.71
>>>>> [2] 1 x GPU: | ns/day = 649.64 seconds/ns =
>>>>> 133.00
>>>>> [3] 1 x GPU: | ns/day = 441.83 seconds/ns =
>>>>> 195.55
>>>>>
>>>>> 1080TI
>>>>> [0] 1 x GPU: | ns/day = 776.57 seconds/ns =
>>>>> 111.26
>>>>> [1] 1 x GPU: | ns/day = 779.75 seconds/ns =
>>>>> 110.81
>>>>> [2] 1 x GPU: | ns/day = 773.42 seconds/ns =
>>>>> 111.71
>>>>> [3] 1 x GPU: | ns/day = 747.29 seconds/ns =
>>>>> 115.62
>>>>>
>>>>> So in summary:
>>>>>
>>>>> 2080 works with AMBER 18, gives the correct answers in provisional
>>>>> tests and gets performance equivalent to a 1080TI as long as you
>>>>> don't
>>>>> put more than 2 in a box without some kind of custom cooling
>>>>> solution.
>>>>>
>>>>> Of course this is 'modern' NVIDIA so price inflation is the name of
>>>>> the game so while the performance matches the performance per dollar
>>>>> is significantly worse. 1080TI Founders MSRP was $699, 2080 Founders
>>>>> MSRP is $799 so performance per $ has decreased approximately 15%.
>>>>>
>>>>> All the best
>>>>> Ross
>>>>>
>>>>>
>>>>>
>>>>>
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>>>>
>>>>
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Received on Tue Oct 09 2018 - 06:30:03 PDT
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