Hi Ross,
thanks for such speedy publication of "RTX 2080 Ti" Results which are
really impressive and comparable with significantly more expensive
Titan-V (here 2080 Ti is practically equivalent) or V100.
Thanks once more for such great news !
Please just do not forget to add "RTX 2080 Ti" into supported HW section
i.e. here:
http://ambermd.org/GPUHardware.php
when the verification tests are done.
Best wishes,
Marek
Dne Thu, 11 Oct 2018 13:19:47 +0200 Ross Walker <ross.rosswalker.co.uk>
napsal/-a:
> Hi All,
>
> I finally have provisional numbers for RTX1080TI GPUs. I tested 4 GPUs
> with the stock reference design coolers. The two central GPUs hit 93C
> before dropping off the bus. Clearly 2080TI cooling is going to be a
> challenge. I pulled the two middle GPUs and ran with 2 x 2080TI well
> spaced out.
>
> The following are the AMBER 18 numbers with the initial Turin Tweaks.
> Note consider these are still provisional. I still have to run the
> validation tests to make sure the GPUs get the right answers. One thing
> is for sure, we really are pushing the power envelope of these GPUs.
> How's this for maxed out:
>
> Thu Oct 11 00:31:51 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 208... Off | 00000000:1A:00.0 Off
> | N/A |
> | 60% 81C P2 259W / 260W | 1495MiB / 10989MiB | 100%
> Default |
> +-------------------------------+----------------------+----------------------+
> | 1 GeForce RTX 208... Off | 00000000:68:00.0 Off
> | N/A |
> | 31% 60C P0 1W / 260W | 0MiB / 10989MiB | 0%
> Default |
> +-------------------------------+----------------------+----------------------+
> +-----------------------------------------------------------------------------+
> | Processes: GPU
> Memory |
> | GPU PID Type Process name
> Usage |
> |=============================================================================|
> | 0 53398 C /usr/local/amber18/bin/pmemd.cuda
> 1485MiB |
> +-----------------------------------------------------------------------------+
>
> And yes the benchmarks below are correct! The RTX2080TI is indeed
> equivalent the 8x more expensive V100 and we do indeed get over 1
> microsecond per day for the DHFR 4fs benchmark. :-)
>
> New Benchmark Suite with thread count tweak for Turing
>
> System Class CPU (1) CPU (4) GPU
> 0 GPU 1
> ------------------------------- ---------------- -------- --------
> -------- --------
> JAC_production_NVE_4fs PME (Standard)
> 915.37 900.75
> JAC_production_NPT_4fs PME (Standard)
> 846.79 836.68
> Cellulose_production_NVE_4fs PME (Standard)
> 68.00 67.52
> Cellulose_production_NPT_4fs PME (Standard)
> 64.75 64.58
> FactorIX_production_NVE_4fs PME (Standard)
> 320.49 319.07
> FactorIX_production_NPT_4fs PME (Standard)
> 299.55 295.82
> STMV_production_NVE_4fs PME (Standard)
> 23.44 23.36
> STMV_production_NPT_4fs PME (Standard)
> 21.96 21.87
>
> JAC_production_NVE_4fs PME (Optimized)
> 1033.45 1012.65
> JAC_production_NPT_4fs PME (Optimized)
> 948.41 940.27
> Cellulose_production_NVE_4fs PME (Optimized)
> 72.61 72.24
> Cellulose_production_NPT_4fs PME (Optimized)
> 68.61 68.58
> FactorIX_production_NVE_4fs PME (Optimized)
> 354.46 353.35
> FactorIX_production_NPT_4fs PME (Optimized)
> 329.38 327.69
> STMV_production_NVE_4fs PME (Optimized)
> 25.45 25.39
> STMV_production_NPT_4fs PME (Optimized)
> 23.67 23.69
>
> TRPCage GB
> 2514.65 2521.09
> myoglobin GB
> 1250.55 1251.71
> nucleosome GB
> 30.15 29.93
>
>
> Original Benchmark Suite with thread count tweak for Turing
> JAC_PRODUCTION_NVE - 23,558 atoms PME 4fs
> -----------------------------------------
>
> [0] 1 x GPU: | ns/day = 1017.27 seconds/ns =
> 84.93
> [1] 1 x GPU: | ns/day = 1017.20 seconds/ns =
> 84.94
> Multiple Single GPU Run Performance
> [0] 1 x GPU: | ns/day = 1011.77 seconds/ns =
> 85.39
> [1] 1 x GPU: | ns/day = 1005.58 seconds/ns =
> 85.92
>
> JAC_PRODUCTION_NPT - 23,558 atoms PME 4fs
> -----------------------------------------
>
> [0] 1 x GPU: | ns/day = 940.66 seconds/ns =
> 91.85
> [1] 1 x GPU: | ns/day = 947.24 seconds/ns =
> 91.21
> Multiple Single GPU Run Performance
> [0] 1 x GPU: | ns/day = 943.47 seconds/ns =
> 91.58
> [1] 1 x GPU: | ns/day = 939.12 seconds/ns =
> 92.00
>
> JAC_PRODUCTION_NVE - 23,558 atoms PME 2fs
> -----------------------------------------
>
> [0] 1 x GPU: | ns/day = 535.28 seconds/ns =
> 161.41
> [1] 1 x GPU: | ns/day = 533.23 seconds/ns =
> 162.03
> Multiple Single GPU Run Performance
> [0] 1 x GPU: | ns/day = 536.59 seconds/ns =
> 161.02
> [1] 1 x GPU: | ns/day = 527.42 seconds/ns =
> 163.82
>
> JAC_PRODUCTION_NPT - 23,558 atoms PME 2fs
> -----------------------------------------
>
> [0] 1 x GPU: | ns/day = 485.28 seconds/ns =
> 178.04
> [1] 1 x GPU: | ns/day = 486.15 seconds/ns =
> 177.72
> Multiple Single GPU Run Performance
> [0] 1 x GPU: | ns/day = 483.66 seconds/ns =
> 178.64
> [1] 1 x GPU: | ns/day = 477.95 seconds/ns =
> 180.77
>
> FACTOR_IX_PRODUCTION_NVE - 90,906 atoms PME
> -------------------------------------------
>
> [0] 1 x GPU: | ns/day = 195.32 seconds/ns =
> 442.36
> [1] 1 x GPU: | ns/day = 199.12 seconds/ns =
> 433.91
> Multiple Single GPU Run Performance
> [0] 1 x GPU: | ns/day = 200.88 seconds/ns =
> 430.11
> [1] 1 x GPU: | ns/day = 197.50 seconds/ns =
> 437.47
>
> FACTOR_IX_PRODUCTION_NPT - 90,906 atoms PME
> -------------------------------------------
>
> [0] 1 x GPU: | ns/day = 182.97 seconds/ns =
> 472.21
> [1] 1 x GPU: | ns/day = 184.14 seconds/ns =
> 469.21
> Multiple Single GPU Run Performance
> [0] 1 x GPU: | ns/day = 182.33 seconds/ns =
> 473.88
> [1] 1 x GPU: | ns/day = 183.67 seconds/ns =
> 470.41
>
> CELLULOSE_PRODUCTION_NVE - 408,609 atoms PME
> --------------------------------------------
>
> [0] 1 x GPU: | ns/day = 41.97 seconds/ns =
> 2058.82
> [1] 1 x GPU: | ns/day = 41.79 seconds/ns =
> 2067.66
> Multiple Single GPU Run Performance
> [0] 1 x GPU: | ns/day = 41.77 seconds/ns =
> 2068.26
> [1] 1 x GPU: | ns/day = 41.55 seconds/ns =
> 2079.29
>
> CELLULOSE_PRODUCTION_NPT - 408,609 atoms PME
> --------------------------------------------
>
> [0] 1 x GPU: | ns/day = 39.28 seconds/ns =
> 2199.86
> [1] 1 x GPU: | ns/day = 39.34 seconds/ns =
> 2196.28
> Multiple Single GPU Run Performance
> [0] 1 x GPU: | ns/day = 39.23 seconds/ns =
> 2202.29
> [1] 1 x GPU: | ns/day = 39.03 seconds/ns =
> 2213.82
>
> STMV_PRODUCTION_NPT - 1,067,095 atoms PME
> -----------------------------------------
>
> [0] 1 x GPU: | ns/day = 24.39 seconds/ns =
> 3542.69
> [1] 1 x GPU: | ns/day = 24.38 seconds/ns =
> 3543.43
> Multiple Single GPU Run Performance
> [0] 1 x GPU: | ns/day = 24.32 seconds/ns =
> 3552.87
> [1] 1 x GPU: | ns/day = 24.17 seconds/ns =
> 3574.82
>
> TRPCAGE_PRODUCTION - 304 atoms GB
> ---------------------------------
>
> [0] 1 x GPU: | ns/day = 1151.69 seconds/ns =
> 75.02
> [1] 1 x GPU: | ns/day = 1133.17 seconds/ns =
> 76.25
> Multiple Single GPU Run Performance
> [0] 1 x GPU: | ns/day = 1124.11 seconds/ns =
> 76.86
> [1] 1 x GPU: | ns/day = 1184.88 seconds/ns =
> 72.92
>
> MYOGLOBIN_PRODUCTION - 2,492 atoms GB
> -------------------------------------
>
> [0] 1 x GPU: | ns/day = 563.33 seconds/ns =
> 153.37
> [1] 1 x GPU: | ns/day = 501.07 seconds/ns =
> 172.43
> Multiple Single GPU Run Performance
> [0] 1 x GPU: | ns/day = 545.35 seconds/ns =
> 158.43
> [1] 1 x GPU: | ns/day = 551.93 seconds/ns =
> 156.54
>
> NUCLEOSOME_PRODUCTION - 25,095 atoms GB
> ---------------------------------------
>
> [0] 1 x GPU: | ns/day = 15.52 seconds/ns =
> 5568.28
> [1] 1 x GPU: | ns/day = 15.35 seconds/ns =
> 5628.69
> Multiple Single GPU Run Performance
> [0] 1 x GPU: | ns/day = 15.40 seconds/ns =
> 5609.17
> [1] 1 x GPU: | ns/day = 15.24 seconds/ns =
> 5669.86
>
>
> All the best
> Ross
>
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
--
Vytvořeno poštovní aplikací Opery: http://www.opera.com/mail/
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Oct 11 2018 - 10:00:02 PDT
