VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Wed Nov 30 2011 - 21:18:23 CST

Hi,
  You must set the CUDA-related environment variables in your shell
prior to launching VMD.
The same is true for the VMDCUDANODISPLAYGPUS flag, and similar options.

In the case of Unix systems, you'd do this:
/bin/csh syntax:
  setenv VMDNOCUDA 1

/bin/bash syntax:
  export VMDNOCUDA=1

On Microsoft Windows you'd need to do this in the system environment
variables control in the advanced properties tab for the system settings
window.

Cheers,
  John Stone
  vmd_at_ks.uiuc.edu

On Thu, Dec 01, 2011 at 12:29:48PM +1000, Joaim Swedberg wrote:
> Hi all,
>
> I need to disable CUDA when I use VMD for analysis of simulation
> trajectories. This is because I use the GPUs for molecular dynamics by
> other software at the same time. I have tried to use the VMDNOCUDA
> environment variable as: set env(VMDNOCUDA) "on" in the TkConsole or in
> scripts. Vmd replies on, but the GPUs are still used. I have also tried
> the VMDCUDANODISPLAYGPUS environment variable also, but the display GPU
> (which is really slow) still get very hot as soon as I start my analysis.
> Maybe I'm not giving these commands the right way. There is not much
> explaining regarding them in the manual. Is it possible to permanently
> disable CUDA for VMD, or install without CUDA. I have spent days trying to
> resolve this without any luck. If anybody out there had success disabling
> CUDA, I would be grateful for advice.
>
>
>
> Regards
>
>
>
> Joakim Swedberg
>
>
>
> Research Officer
>
> Prof David Craik's Group
>
> The Institute for Molecular Bioscience
>
> The University of Queensland
>
> Brisbane QLD 4072
>
> Australia
>
>
>
> Phone: +61 (0)413 165 805
>
> Email: j.swedberg_at_imb.uq.edu.au
>
> Web: http://www.imb.uq.edu.au/
>
> 

-- 
NIH Resource 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/       Fax: 217-244-6078