VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Wed Dec 03 2014 - 13:21:23 CST

On Wed, Dec 3, 2014 at 1:50 PM, Vlad Cojocaru
<vlad.cojocaru_at_mpi-muenster.mpg.de> wrote:
> Sorry John,
>
> I was running as user "vlad" and that did not produce any output .. Running
> as root I get this output below (nothing that I notice to be wrong):

well, the fact that you need to be root to access the GPU indicates
that the permissions on the GPU device are not correct.

>
> Best
> Vlad
>
> Wed Dec 3 19:48:41 2014
> +------------------------------------------------------+
> | NVIDIA-SMI 340.46 Driver Version: 340.46 |
> |-------------------------------+----------------------+----------------------+
> | GPU Name Persistence-M| Bus-Id Disp.A | Volatile Uncorr.
> ECC |
> | Fan Temp Perf Pwr:Usage/Cap| Memory-Usage | GPU-Util Compute M.
> |
> |===============================+======================+======================|
> | 0 Quadro K4000 Off | 0000:02:00.0 On |
> N/A |
> | 30% 46C P8 23W / 87W | 1448MiB / 3071MiB | 3% Default |
> +-------------------------------+----------------------+----------------------+
>
> +-----------------------------------------------------------------------------+
> | Compute processes: GPU Memory |
> | GPU PID Process name Usage |
> |=============================================================================|
> | No running compute processes found
> |
> +-----------------------------------------------------------------------------+
>
>
>
>
> On 12/03/2014 07:47 PM, Vlad Cojocaru wrote:
>>
>> Hi John,
>>
>> NVIDIA driver: 340.46
>>
>> Weirdly, "nvidia-smi" does not produce any output whatsoever ... There
>> shouldn't be any special compute nodes. This is my own workstation ...
>>
>> Best
>> Vlad
>>
>>
>> On 12/03/2014 07:34 PM, John Stone wrote:
>>>
>>> Vlad,
>>> Thanks. What NVIDIA driver version is installed on this machine?
>>> If you run "nvidia-smi", does it print any warnings or errors, and
>>> do you see all of your GPUs listed? Are any set for "prohibited"
>>> or "exclusive" compute mode?
>>>
>>> Cheers,
>>> John Stone
>>> vmd_at_ks.uiuc.edu
>>>
>>> On Wed, Dec 03, 2014 at 07:27:55PM +0100, Vlad Cojocaru wrote:
>>>>
>>>> Hi John,
>>>>
>>>> These are the options I used (same as for all my previous compilations
>>>> that worked just fine on openSUSE 12.X):
>>>>
>>>> LINUXAMD64 OPENGL FLTK TK ACTC CUDA OPENCL IMD XINERAMA XINPUT
>>>> LIBTACHYON NETCDF COLVARS TCL PYTHON PTHREADS NUMPY LP64
>>>>
>>>> My system has a standard openSUSE 13.1 with tcl 8.6 and Fltk 1.3.2, and
>>>> CUDA 6.5.14 .. I am not aware of any internationalized input scheme
>>>> setup ....
>>>>
>>>> Best
>>>> Vlad
>>>>
>>>> On 12/03/2014 05:26 PM, John Stone wrote:
>>>>>
>>>>> Vlad,
>>>>> What do you get when you run this command:
>>>>> vmdinfo options
>>>>>
>>>>> Cheers,
>>>>> John Stone
>>>>>
>>>>> On Wed, Dec 03, 2014 at 01:47:01PM +0100, Vlad Cojocaru wrote:
>>>>>>
>>>>>> Dear all,
>>>>>>
>>>>>> I am experiencing some issues with running VMD with CUDA acceleration
>>>>>> on
>>>>>> my machine. I compiled from source on linux x86_64 (openSUSE 13.1)
>>>>>> against CUDA 6.5.14 ...NVIDIA driver 340.46 ... At compilation, no
>>>>>> issues whatsoever. However, every time I try to run VMD I get the
>>>>>> error
>>>>>> below. The program runs fine but CUDA acceleration is not available.
>>>>>>
>>>>>> Has anybody encountered a similar issue ? If yes, any idea how to fix
>>>>>> it ?
>>>>>>
>>>>>> Thanks in advance
>>>>>>
>>>>>> Best wishes
>>>>>> Vlad
>>>>>>
>>>>>>
>>>>>> Info) VMD for LINUXAMD64, version 1.9.2beta1 (October 23, 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, 24 CPUs detected.
>>>>>> Info) Free system memory: 56003MB (86%)
>>>>>> XOpenIM() failed
>>>>>> Info) No CUDA accelerator devices available.
>>>>>> Info) OpenGL renderer: Quadro K4000/PCIe/SSE2
>>>>>> Info) Features: STENCIL STEREO MSAA(4) MDE MTX NPOT PP PS GLSL(OVFG)
>>>>>> Info) Full GLSL rendering mode is available.
>>>>>> Info) Textures: 2-D (16384x16384), 3-D (4096x4096x4096),
>>>>>> Multitexture
>>>>>> (4)
>>>>>>
>>>>>> --
>>>>>> Dr. Vlad Cojocaru
>>>>>> Computational Structural Biology Laboratory
>>>>>> Department of Cell and Developmental Biology
>>>>>> Max Planck Institute for Molecular Biomedicine
>>>>>> Röntgenstrasse 20, 48149 Münster, Germany
>>>>>> Tel: +49-251-70365-324; Fax: +49-251-70365-399
>>>>>> Email: vlad.cojocaru[at]mpi-muenster.mpg.de
>>>>>> http://www.mpi-muenster.mpg.de/research/teams/groups/rgcojocaru
>>>>
>>>> --
>>>> Dr. Vlad Cojocaru
>>>> Computational Structural Biology Laboratory
>>>> Department of Cell and Developmental Biology
>>>> Max Planck Institute for Molecular Biomedicine
>>>> Röntgenstrasse 20, 48149 Münster, Germany
>>>> Tel: +49-251-70365-324; Fax: +49-251-70365-399
>>>> Email: vlad.cojocaru[at]mpi-muenster.mpg.de
>>>> http://www.mpi-muenster.mpg.de/research/teams/groups/rgcojocaru
>>
>>
>
> --
> Dr. Vlad Cojocaru
> Computational Structural Biology Laboratory
> Department of Cell and Developmental Biology
> Max Planck Institute for Molecular Biomedicine
> Röntgenstrasse 20, 48149 Münster, Germany
> Tel: +49-251-70365-324; Fax: +49-251-70365-399
> Email: vlad.cojocaru[at]mpi-muenster.mpg.de
> http://www.mpi-muenster.mpg.de/research/teams/groups/rgcojocaru
> 

-- 
Dr. Axel Kohlmeyer  akohlmey_at_gmail.com  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.