From: Francesco Pietra (francesco.pietra_at_accademialucchese.it)
Date: Wed Jun 20 2012 - 05:08:30 CDT
Hi Jim:
My attempts at running namd-cuda 2.9, nightly build 2012-06-20, on
GTX-680 failed. I used the same procedure as with my previous Gigabyte
890FXA / AMD Phenom II / two GTX-580. The latter had no problems, and
i tried now to continue the already advanced equilibration of a
protein in a water box, carried out under parm7 ff.
HARDWARE: Gigabyte X79-UD3 , Intel i7-3930k, two GTX-680 on x16 lanes.
OS: Debian amd64 wheezy (testing), cuda driver 295.53-1.
COMMANDS:
- nvidia-smi -L
GPU 0: GeForce GTX 680 (UUID: N/A)
GPU 1 : as above
-nvidia-smi -pm 1
Enabled persistence mode for GPU 0000:02:00.0.
" 0000:03:00.0
-charmrun $NAMD_HOME/bin/namd2 xxx.conf +p6 +idlepoll 2>&1 | tee xxx.log
The log file tells;
Running command: /usr/local/namd-cuda-2.9_2012-06-20/bin/namd2
press-03.conf +p6 +idlepoll
Charm++: standalone mode (not using charmrun)
Converse/Charm++ Commit ID: v6.4.0-beta1-0-g5776d21
CharmLB> Load balancer assumes all CPUs are same.
Charm++> Running on 1 unique compute nodes (12-way SMP).
Charm++> cpu topology info is gathered in 0.001 seconds.
Info: NAMD CVS-2012-06-20 for Linux-x86_64-multicore-CUDA
Info:
Info: Please visit http://www.ks.uiuc.edu/Research/namd/
Info: for updates, documentation, and support information.
Info:
Info: Please cite Phillips et al., J. Comp. Chem. 26:1781-1802 (2005)
Info: in all publications reporting results obtained with NAMD.
Info:
Info: Based on Charm++/Converse 60400 for multicore-linux64-iccstatic
Info: Built Wed Jun 20 02:24:32 CDT 2012 by jim on lisboa.ks.uiuc.edu
Info: 1 NAMD CVS-2012-06-20 Linux-x86_64-multicore-CUDA 6 gig64 francesco
Info: Running on 6 processors, 1 nodes, 1 physical nodes.
Info: CPU topology information available.
Info: Charm++/Converse parallel runtime startup completed at 0.0799868 s
FATAL ERROR: CUDA error on Pe 5 (gig64 device 0): All CUDA devices are
in prohibited mode, of compute capability 1.0, or otherwise unusable.
------------- Processor 5 Exiting: Called CmiAbort ------------
Reason: FATAL ERROR: CUDA error on Pe 5 (gig64 device 0): All CUDA
devices are in prohibited mode, of compute capability 1.0, or
otherwise unusable.
FATAL ERROR: CUDA error on Pe 1 (gig64 device 0): All CUDA devices are
in prohibited mode, of compute capability 1.0, or otherwise unusable.
Program finished.
FATAL ERROR: CUDA error on Pe 4 (gig64 device 0): All CUDA devices are
in prohibited mode, of compute capability 1.0, or otherwise unusable.
*************
Would it be safe not to sell the GTX-580 and set aside the GTX-680
for the future? Oor is anything that can be changed in my procedure? i
am not a pessimist, just I am still in time to take the GTX-580 back
from the vendor where I did the business.
Thanks a lot for advising me with urgency (because of the said
business, and I beg pardon very much for asking urgency)
francesco Pietra
On Thu, Jun 7, 2012 at 11:52 PM, Jim Phillips <jim_at_ks.uiuc.edu> wrote:
>
> Yes it can. -Jim
>
> On Thu, 7 Jun 2012, David Brandon wrote:
>
>> Below came into biocore email:
>>
>>
>> -------- Original Message --------
>> Subject: namd on gtx-680
>> Date: Thu, 7 Jun 2012 09:04:45 +0200
>> From: Francesco Pietra <francesco.pietra_at_accademialucchese.it>
>> To: biocore_at_ks.uiuc.edu
>>
>> Hi:
>>
>> May I ask whether namd 2.9, or a night build, can run on nvidia
>> GTX-680? (I am at Debian GNU Linux amd64)
>>
>> I could not obtain the information from the general forum, nor was I
>> able to find the question posed to biocore.
>>
>> Because of trivial commercial problems, I am short of time in deciding
>> to change my two GTX-580 for two GTX-680.
>>
>> Thanks a lot
>>
>> francesco pietra
>>
>>
>>
>>
>> Francesco Pietra
>> Professor of Chemistry
>> Accademia Lucchese di Scienze, Lettere e Arti, founded in 1584
>> Palazzo Ducale
>> I-55100 Lucca
>> tel/fax +39 0583 417336
>>
>> --
>> David P. Brandon, Manager
>> Theoretical and Computational Biophysics Group
>> Center for Macromolecular Modeling & Bioinformatics
>> 3027 Beckman Institute
>> 405 N. Mathews Avenue
>> Urbana, IL 61801
>> ph: 217-265-6480
>> fax: 217-244-6078
>> site: www.ks.uiuc.edu
>>
>
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