Re: [AMBER] Provisional RTX2080 AMBER 18 Performance Numbers

From: Marek Maly <marek.maly.ujep.cz>
Date: Tue, 09 Oct 2018 11:39:23 +0200

Hello Dave,

thanks for the info and hope to see "RTX 2080 Ti" benchmark soon.

Titan-V is too expensive for us. I expect that "RTX 2080 Ti" will be
probably a good
compromise between "GTX 1080 Ti" or "RTX 2080" and Titan-V.

For those who interested, here is for the moment at least comparison of
performance above mentioned GPUs in "Machine Learning (Deep learning)" .


https://www.pugetsystems.com/labs/hpc/NVIDIA-RTX-2080-Ti-vs-2080-vs-1080-Ti-vs-Titan-V-TensorFlow-Performance-with-CUDA-10-0-1247/

   Best wishes,

       Marek




Dne Mon, 08 Oct 2018 21:46:47 +0200 David Cerutti <dscerutti.gmail.com>
napsal/-a:

> Correct--the note on the git commit even says so, although I don't expect
> users to see that sort of thing. Once 2080Ti is in our hands we'll have
> it
> tested and posted. Ross will be running some additional benchmarks today
> so we can add official 2080 numbers, and the most important thing I can
> think of is pretty easy to change (one line), so we may know sooner
> rather
> than later how much performance tuning can benefit us on this peculiar
> architecture. (And I do mean peculiar--even NVIDIA doesn't see this as
> the
> new normal).
>
> TBH, if you are considering a new GPU cluster, I would look seriously at
> the Titan-V. Full double-precision calculations, $3000 per GPU.
> Multi-GPU
> applications exist, but the peak performance point for almost anything is
> going to be single GPU, and if you have people looking to do their own
> custom coding then doing everything in double precision will take off one
> layer of complexity. Four times as expensive as GTX-1080Ti (if you can
> still get those), 1.75x the performance. It's a trade-off between time
> and
> money.
>
> Dave
>
>
> On Mon, Oct 8, 2018 at 2:44 PM Marek Maly <marek.maly.ujep.cz> wrote:
>
>> Hi David,
>>
>> thank you for web page update request, RTX 2080 is already there,
>> but "RTX 2080 Ti" is still missing, why ?
>>
>> Because up to now just "RTX 2080" was successfully tested which
>> does not guarantee, in your opinion, that the "RTX 2080 Ti" will also
>> be
>> OK ?
>>
>> Best wishes
>>
>> Marek
>>
>>
>>
>>
>> Dne Mon, 08 Oct 2018 13:28:08 +0200 David Cerutti <dscerutti.gmail.com>
>> napsal/-a:
>>
>> > I've queued the update for the web pages.
>> >
>> > DSC
>> >
>> >
>> > On Mon, Oct 8, 2018 at 6:15 AM 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
>> >> >>>
>> >> >>>
>> >> >>>
>> >> >>>
>> >> >>> _______________________________________________
>> >> >>> AMBER mailing list
>> >> >>> AMBER.ambermd.org
>> >> >>> http://lists.ambermd.org/mailman/listinfo/amber
>> >> >>
>> >> >>
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>> >> >
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>> >>
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Received on Tue Oct 09 2018 - 03:00:02 PDT
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