VMD-L Mailing List

From: Joaim Swedberg (j.swedberg_at_imb.uq.edu.au)
Date: Wed Nov 30 2011 - 20:29:48 CST

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/