Hi Ross,
many thanks for the useful suggestions.
Carmen
----Messaggio originale----
Da: ross.rosswalker.co.uk
Data: 27-feb-2015 18.05
A: "carmendigiovanni75.alice.it"<carmendigiovanni75.alice.it>, "AMBER Mailing List"<amber.ambermd.org>
Ogg: Re: [AMBER] GTX980 PERFORMANCE
Hi Carmen,
This spec looks good to me. The 980s are perfectly good for AMBER - running at present a little faster than 780s.
What model of 980 are you considering? I would stay away from all the fancy 'custom cooler' versions as they tend not to do well in multi-GPU configurations. You are probably safest going with EVGA cards based on the NVIDIA reference design. E.g. This one:
http://tinyurl.com/k37frth
Beyond that if you are looking for a slightly better price performance and higher GPU density (albeit at a higher price per node) then you next option are the new 8 GPU machines. Here's some 980 benchmarks from an Exxact machine (I 'think' this is a tyan motherboard) from the last couple of days.
JAC_PRODUCTION_NVE - 23,558 atoms PME 4fs
-----------------------------------------
CPU code 12 cores: | ns/day = 24.34 seconds/ns = 3549.98
[0] 1 x GPU: | ns/day = 257.72 seconds/ns = 335.25
[1] 1 x GPU: | ns/day = 263.08 seconds/ns = 328.42
[2] 1 x GPU: | ns/day = 260.64 seconds/ns = 331.50
[3] 1 x GPU: | ns/day = 255.45 seconds/ns = 338.23
[4] 1 x GPU: | ns/day = 257.93 seconds/ns = 334.97
[5] 1 x GPU: | ns/day = 254.36 seconds/ns = 339.68
[6] 1 x GPU: | ns/day = 253.92 seconds/ns = 340.26
[7] 1 x GPU: | ns/day = 262.15 seconds/ns = 329.58
Multiple Single GPU Run Performance
[0] 1 x GPU: | ns/day = 257.56 seconds/ns = 335.45
[1] 1 x GPU: | ns/day = 261.78 seconds/ns = 330.05
[2] 1 x GPU: | ns/day = 260.51 seconds/ns = 331.65
[3] 1 x GPU: | ns/day = 255.83 seconds/ns = 337.72
[4] 1 x GPU: | ns/day = 258.55 seconds/ns = 334.17
[5] 1 x GPU: | ns/day = 254.71 seconds/ns = 339.21
[6] 1 x GPU: | ns/day = 254.22 seconds/ns = 339.86
[7] 1 x GPU: | ns/day = 258.75 seconds/ns = 333.92
P2P 2 x GPU: | ns/day = 374.42 seconds/ns = 230.76
P2P 4 x GPU: | ns/day = 428.27 seconds/ns = 201.74
Multiple 2xGPU Run Performance
[0,1] 2 x GPU: | ns/day = 374.24 seconds/ns = 230.87
[2,3] 2 x GPU: | ns/day = 370.73 seconds/ns = 233.06
[4,5] 2 x GPU: | ns/day = 368.69 seconds/ns = 234.34
[6,7] 2 x GPU: | ns/day = 376.96 seconds/ns = 229.20
You'll get similar performance with the specs you have except that you won't be able to run a single 4 way GPU run (except for GB simulations).
All the best
Ross
> On Feb 27, 2015, at 5:31 AM, carmendigiovanni75.alice.it wrote:
>
> Dear AMBER users and developers,
>>
>> we are thinking to buy a new
> tyan server machine with these features:
>>
>> SERVER SYSTEM TYAN
> FT48 - Tower/Rack,Dual Xeon ,8xSATA
>>
>> N. 2 CPU INTEL XEON E5-2620
> 2.0Ghz - 6 CORE 15MCache LGA2011
>>
>> N. 4 Scheda Video Nvidia
> GTX980, 4GB GDDR5,PCIE 3.0 , 2DVI, HD
>>
>> N. 4 DDR3 8 GB 1600
> Mhz
>> HARD DISK 1 TB SATA 3 WD
>>
>> I known that the GTX980
> offer good performance for AMBER 14
>> What are your views about this
> ?
>
>
> Can you suggest validate alternative configurations?
>>
>
> Thank
> you in advance
>> Carmen
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Received on Mon Mar 02 2015 - 01:30:03 PST
