VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Thu Aug 13 2015 - 16:38:06 CDT

Hi,
  To run the OptiX-enabled version of VMD, the machine will have to
generally need to have driver versions of 346.xx or later. There are
some extra requirements for OptiX and CUDA 6.5 vs older revs.

Cheers,
  John Stone

On Thu, Aug 13, 2015 at 03:27:55PM -0500, Josh Vermaas wrote:
> Hi Andrea,
>
> VMD in principle doesn't care which driver version you use (save for
> really old ones), so long as the driver matches the cuda runtime version.
> To figure out what is being detected on your machine, run nvidia-smi. On
> my computer, which is running Ubuntu 14.04, this is my output:
>
> nvidia-smi
> Thu Aug 13 15:21:27 2015
> +------------------------------------------------------+
> | NVIDIA-SMI 346.59 Driver Version: 346.59
> |
> |-------------------------------+----------------------+----------------------+
> | GPU Name Persistence-M| Bus-Id Disp.A | Volatile Uncorr.
> ECC |
> | Fan Temp Perf Pwr:Usage/Cap| Memory-Usage | GPU-Util Compute
> M. |
> |===============================+======================+======================|
> | 0 GeForce GTX 980 Off | 0000:0C:00.0 N/A |
> N/A |
> | 46% 77C P2 N/A / N/A | 2731MiB / 4095MiB | N/A
> Default |
> +-------------------------------+----------------------+----------------------+
>
> +-----------------------------------------------------------------------------+
> | Processes: GPU
> Memory |
> | GPU PID Type Process name
> Usage |
> |=============================================================================|
> | 0 C+G Not
> Supported |
> +-----------------------------------------------------------------------------+
>
> The important part is at the top (I've bolded it). Those numbers need to
> match, or else nothing cuda-related is going to work. Odds are one of
> those two is ahead of or behind the other, which is causing a mismatch
> between the cuda runtime (the first number), and the driver version. I
> *think* the runtime is hidden in the libcuda package, but I've been known
> to misremember things.
>
> -Josh
>
> On 08/13/2015 10:58 AM, andrea spitaleri wrote:
>
> Hi all,
>
> I have configured my new machine bearing Geforce 740M Optimus
> technology, Ubuntu 15.04 installed, nvidia proprietary driver version
> 346.59 (from Ubuntu repository) and nvidia-cuda-toolkit 6.5.14.-1
> version installed from Software Center. I have installed vmd 1.9.2 64bit
> OpenGL, CUDA, TachyonL-Optix.
> When vmd starts, I got that my nvidia and cuda drivers have a mismatch
> version. Not sure what kind of driver nvidia version I need to install
> to make vmd happy :)
>
> thanks
>
> and
>
> --
> Andrea Spitaleri PhD
> D3 - Drug Discovery & Development
> Istituto Italiano di Tecnologia
> Via Morego, 30 16163 Genova
> cell: +39 3485188790
> [1]http://www.iit.it/en/d3-people/andrea-spitaleri.html
> ORCID: [2]http://orcid.org/0000-0003-3012-3557
>
> References
>
> Visible links
> 1. https://urldefense.proofpoint.com/v2/url?u=http-3A__www.iit.it_en_d3-2Dpeople_andrea-2Dspitaleri.html&d=AwMCaQ&c=8hUWFZcy2Z-Za5rBPlktOQ&r=zFfoK61upjM5BwyoRAsX8dLq7rwWm8aw7r7dqtjgcCE&m=36zvnmXtWv5UM_HCAeUybkKd534kFQS3ThHvFGb-DG8&s=rcG2AuleURX-4If9aiUOuB1vDfUaK_MmnFnesN7QtmM&e=
> 2. https://urldefense.proofpoint.com/v2/url?u=http-3A__orcid.org_0000-2D0003-2D3012-2D3557&d=AwMCaQ&c=8hUWFZcy2Z-Za5rBPlktOQ&r=zFfoK61upjM5BwyoRAsX8dLq7rwWm8aw7r7dqtjgcCE&m=36zvnmXtWv5UM_HCAeUybkKd534kFQS3ThHvFGb-DG8&s=kEBBrNDq0tGf4bdSX3S3zZtIjr452qiin69Y5ymwG3Y&e= 

-- 
NIH Center for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
http://www.ks.uiuc.edu/~johns/           Phone: 217-244-3349
http://www.ks.uiuc.edu/Research/vmd/