VMD-L Mailing List

From: Filippo Federici Canova (filippo.federici_at_tut.fi)
Date: Thu Mar 04 2010 - 11:54:09 CST

Hi,

I actually tried both with the Quadro on and off,
and by off i mean i disabled it with the
nvidia-smi command line program to set it on
'prohibited'. the driver is 190.53 and the
latest cuda sdk was installed.

cheers

Filippo

Quoting John Stone <johns_at_ks.uiuc.edu>:

>
> Hi,
> I suspect what is happening there is that the Quadro NVS 295 is
> running out of memory. I would suggest excluding it from your pool
> of CUDA GPUs. Also, what driver version are you running on your machine?
>
> Cheers,
> John Stone
> vmd_at_ks.uiuc.edu
>
> On Thu, Mar 04, 2010 at 06:29:44PM +0200, Filippo Federici wrote:
>> Hi,
>> I just tried to plot some isosurfaces of molecular orbitals,
>> with a very fine grid. Since the CPU is also very fast
>> (Core i7) is hard to tell if there is a performance improvement.
>> I still get that error on startup:
>>
>> Info) Detected 3 available CUDA accelerators:
>> Info) [0] Tesla C1060 30 SM_1.3 @ 1.30 GHz, 4095MB RAM, OIO,
>> ZCP
>> Info) [1] Quadro NVS 295 1 SM_1.1 @ 1.30 GHz, 255MB RAM, KTO
>> Info) [2] Tesla C1060 30 SM_1.3 @ 1.30 GHz, 4095MB RAM, OIO,
>> ZCP
>> Info) Creating CUDA device pool and initializing hardware...
>> CUDA error: no CUDA-capable device is available, line 62
>>
>> so why 2 Tesla C1060 are not CUDA capable devices according to line 62?
>>
>> thanks
>>
>> Filippo
>>
>> On Thu, 2010-03-04 at 08:11 -0600, John Stone wrote:
>> > Hi,
>> > Only the electrostatics, molecular orbital rendering, and
>> implicit ligand
>> > sampling features are accelerated by CUDA in VMD 1.8.7, so those are the
>> > only VMD tests that are meaningful for measuring CUDA performance.
>> >
>> > Try using the commands "volmap coulombmsm", "volmap ils" or the "Orbital"
>> > representation, all of these will use CUDA automatically.
>> >
>> > Please see this page for more information:
>> > http://www.ks.uiuc.edu/Research/vmd/vmd-1.8.7/cuda.html
>> >
>> > Let me know if you have questions.
>> >
>> > Cheers,
>> > John
>> >
>> >
>> >
>> > On Thu, Mar 04, 2010 at 09:18:14AM +0200, Filippo Federici wrote:
>> > > Good morning,
>> > >
>> > > we have installed a CUDA workstation and we are done
>> > > testing it, but we have some issues with VMD.
>> > > I downloaded the binary (LINUX64 CUDA) and apparently
>> > > it starts but i see no GPU improvements.
>> > > On startup the output tells:
>> > >
>> > > Info) -------------------------------------------------------------
>> > > Info) Multithreading available, 8 CPUs detected.
>> > > Info) Free system memory: 5269MB (66%)
>> > > Info) Detected 3 available CUDA accelerators:
>> > > Info) [0] Tesla C1060 30 SM_1.3 @ 1.30 GHz, 4095MB RAM, OIO,
>> > > ZCP
>> > > Info) [1] Quadro NVS 295 1 SM_1.1 @ 1.30 GHz, 255MB RAM, KTO
>> > > Info) [2] Tesla C1060 30 SM_1.3 @ 1.30 GHz, 4095MB RAM, OIO,
>> > > ZCP
>> > > Info) Creating CUDA device pool and initializing hardware...
>> > > CUDA error: no CUDA-capable device is available, line 62
>> > > Warning) Detected X11 'Composite' extension: if incorrect display occurs
>> > > Warning) try disabling this optional X server feature.
>> > > Info) OpenGL renderer: Quadro NVS 295/PCI/SSE2
>> > > Info) Features: STENCIL MSAA(4) MDE CVA MTX NPOT PP PS GLSL(OVF)
>> > > Info) Full GLSL rendering mode is available.
>> > > Info) Textures: 2-D (8192x8192), 3-D (2048x2048x2048), Multitexture
>> > > (4)
>> > > vmd > Info) VMD for LINUXAMD64, version 1.8.7 (August 1, 2009)
>> > > ---------------------------------------------------------------------
>> > > as you can see we have 2 Tesla GPUs and a Quadro NVS 295 for rendering.
>> > > The quadro is set to 'prohibited', but I tried to leave it on too with
>> > > no luck.
>> > > The driver is 190.53, the CUDA SDK samples run correctly, and I can run
>> > > some piece of code I wrote with no problem.
>> > > Any suggestion?!
>> > >
>> > > thanks in advance
>> > >
>> > > Filippo
>> > >
>> > >
>> >
>
> --
> NIH Resource for Macromolecular Modeling and Bioinformatics
> Beckman Institute for Advanced Science and Technology
> University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
> Email: johns_at_ks.uiuc.edu Phone: 217-244-3349
> WWW: http://www.ks.uiuc.edu/~johns/ Fax: 217-244-6078
>