From: Josh Vermaas (vermaas2_at_illinois.edu)
Date: Thu Aug 13 2015 - 15:27:55 CDT

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
> http://www.iit.it/en/d3-people/andrea-spitaleri.html
> ORCID:http://orcid.org/0000-0003-3012-3557