VMD-L Mailing List

From: Filippo Federici (filippo.federici_at_tut.fi)
Date: Thu Mar 04 2010 - 10:29:44 CST

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
> >
> >
>