VMD-L Mailing List

From: Andrea Spitaleri (andrea.spitaleri_at_iit.it)
Date: Wed Aug 19 2015 - 02:02:47 CDT

Hi John,

I was able to force the upgrade to 346.59-updates (before was 346.59) on
my ubuntu 15.04 and with cuda-6.5.14-1 from repository. Now the things
changed in better:

Info) VMD for LINUXAMD64, version 1.9.2 (December 29, 2014)
Info) http://www.ks.uiuc.edu/Research/vmd/
Info) Email questions and bug reports to vmd_at_ks.uiuc.edu
Info) Please include this reference in published work using VMD:
Info) Humphrey, W., Dalke, A. and Schulten, K., `VMD - Visual
Info) Molecular Dynamics', J. Molec. Graphics 1996, 14.1, 33-38.
Info) -------------------------------------------------------------
Info) Multithreading available, 8 CPUs detected.
Info) Free system memory: 13752MB (87%)
*Info) Creating CUDA device pool and initializing hardware...**
**Info) Detected 1 available CUDA accelerator:**
**Info) [0] GeForce GT 740M 2 SM_3.5 @ 1.03 GHz, 2.0GB RAM, KTO,
AE1, ZCP**
**Info) Detected 1 available TachyonL/OptiX ray tracing accelerator*
Warning) Detected X11 'Composite' extension: if incorrect display occurs
Warning) try disabling this X server option. Most OpenGL drivers
Warning) disable stereoscopic display when 'Composite' is enabled.
Info) OpenGL renderer: GeForce GT 740M/PCIe/SSE2
Info) Features: STENCIL MSAA(4) MDE CVA MTX NPOT PP PS GLSL(OVFGS)
Info) Full GLSL rendering mode is available.
Info) Textures: 2-D (16384x16384), 3-D (2048x2048x2048), Multitexture (4)
Info) Dynamically loaded 2 plugins in directory:
Info) /usr/local/lib/vmd/plugins/LINUXAMD64/molfile

nvidia-smi give back:

NVIDIA-SMI 346.59 Driver Version: 346.59

as before but with the "update" version of the 346.59 release.

best

and

On 18/08/2015 21:02, John Stone wrote:
> Hi,
> I wonder if your distro has left out some driver component
> that's needed. Can you please send me the complete startup
> messages that VMD prints on your machine, and also the output you
> get when you run nvidia-smi on your system? That should be helpful
> in giving you some concrete suggestions to try next.
>
> Cheers,
> John Stone
> vmd_at_ks.uiuc.edu
>
> On Tue, Aug 18, 2015 at 11:10:24AM +0200, Andrea Spitaleri wrote:
>> Hi,
>>
>> thanks to all for the kind reply. My nvidia-smi give me back:
>>
>> NVIDIA-SMI 346.59 Driver Version: 346.59
>>
>> so as mentioned by John my version and system should fulfil the minimum
>> requirement in order to use GPU-acceleration for rendering.
>>
>> I use to update my nvidia drivers and cuda by using apt-get and the latest
>> driver for NVIDIA is 346.59
>>
>> best
>>
>> and
>>
>> On 13/08/2015 22:27, 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= 

-- 
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