VMD-L Mailing List

From: Ismail, Mohd F. (farid_at_ou.edu)
Date: Wed Nov 30 2011 - 22:31:31 CST

Set shell variable VMDNOCUDA, i.e. outside VMD, for your bash or what ever shell you use. I use bash, so I usually set it in the bashrc or if I don't, then I'll type set VMDNOCUDA=1. When I want to remove the value, I type unset VMDNOCUDA.

HTH,
Farid

*******************************
Mohd Farid Ismail
Graduate Teaching Assistant
Dept. of Chemistry/Biochemistry
University of Oklahoma
Norman 73019
________________________________
From: owner-vmd-l_at_ks.uiuc.edu [owner-vmd-l_at_ks.uiuc.edu] on behalf of Joaim Swedberg [j.swedberg_at_imb.uq.edu.au]
Sent: Wednesday, November 30, 2011 8:29 PM
To: vmd-l_at_ks.uiuc.edu
Subject: vmd-l: How to disable CUDA in VMD-1.9?

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/