Hi Ross,
would be interesting if you can do the same test
with Titan GPU using the same super-cooled machines
as you are using for testing of GTX 780 but perhaps, you
or Scott already tested Titans in such machines or it was some
normal consumer cases ?
Best,
Marek
Dne Fri, 12 Jul 2013 17:53:56 +0200 Ross Walker <ross.rosswalker.co.uk>
napsal/-a:
> Hi All,
>
> Ok, so overnight I repeated the JAC NPT tests on the two 4 x GTX780
> machines I have access too. One of these has:
>
> http://tinyurl.com/prxlwy6 Zotac GTX780 ZT-70201-10P
>
>
> and the other has:
>
> http://tinyurl.com/k3n2rqb EVGA GeForce GTX780 3GB GDDR5 384bit,
> Dual-Link
> DVI-I, DVI-D, HDMI,DP, SLI
> Ready Graphics Card (03G-P4-2781-KR)
>
>
> BOTH machines are super micro motherboards in certified cases with
> validated and ducted cooling. One is rack mount and the other is a
> desktop
> - essentially the models shown here:
> http://exxactcorp.com/index.php/solution/solu_list/65
>
> I ran JAC NPT with the following input:
>
> Typical Production MD NVT
> &cntrl
> ntx=5, irest=1,
> ntc=2, ntf=2,
> nstlim=1000000,
> ntpr=1000, ntwx=5000,
> ntwr=100000,
> dt=0.002, cut=8.,
> ntt=1, tautp=10.0,
> temp0=300.0,
> ntb=2, ntp=1, taup=10.0,
> ioutfm=1,
> /
>
> AMBER 12 with all the latest public updates
>
>
> nvcc: NVIDIA (R) Cuda compiler driver
> Copyright (c) 2005-2012 NVIDIA Corporation
> Built on Fri_Sep_21_17:28:58_PDT_2012
> Cuda compilation tools, release 5.0, V0.2.1221
>
>
> NVRM version: NVIDIA UNIX x86_64 Kernel Module 319.17 Thu Apr 25
> 22:45:49 PDT 2013
> GCC version: gcc version 4.4.6 20120305 (Red Hat 4.4.6-4) (GCC)
>
> Running on CentOS / RHEL 6
>
>
> I ran 10 sequential runs on each of the 4 GPUs in each machine
> simultaneously giving me a total of 80 output files all of which were
> identical and ended after 1 million steps with the following output:
>
> NSTEP = 1000000 TIME(PS) = 2006.000 TEMP(K) = 300.01 PRESS =
> -47.5
> Etot = -58245.9096 EKtot = 14421.9385 EPtot =
> -72667.8481
> BOND = 486.0307 ANGLE = 1238.6417 DIHED =
> 972.1042
> 1-4 NB = 558.3709 1-4 EEL = 6793.5638 VDWAALS =
> 8465.9200
> EELEC = -91182.4793 EHBOND = 0.0000 RESTRAINT =
> 0.0000
> EKCMT = 6392.4186 VIRIAL = 6633.3942 VOLUME =
> 234849.5754
> Density =
> 1.0218
>
>
>
> So right now the GTX780s look ok to me but it is very possible that they
> don't work well in traditional consumer cases.
>
> I am going to repeat the tests with Cellulose NPT.
>
> All the best
> Ross
>
> /\
> \/
> |\oss Walker
>
> ---------------------------------------------------------
> | Associate Research Professor |
> | San Diego Supercomputer Center |
> | Adjunct Associate Professor |
> | Dept. of Chemistry and Biochemistry |
> | University of California San Diego |
> | NVIDIA Fellow |
> | http://www.rosswalker.co.uk | http://www.wmd-lab.org |
> | Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
> ---------------------------------------------------------
>
> Note: Electronic Mail is not secure, has no guarantee of delivery, may
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Received on Fri Jul 12 2013 - 14:00:03 PDT
