VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Wed Mar 05 2008 - 12:31:35 CST

Hi,
  VMD is already using multiple processors for the most time
consuming calculations, however if you've written your own analysis
scripts, they may or may not be benefiting from this, depending on
what precisely you're actually doing. What sort of analysis are you
actually doing in your scripts? If you have an example script that's
taking a long time to run, I can give you some suggestions that will
improve performance.

Cheers,
  John Stone
  vmd_at_ks.uiuc.edu

On Wed, Mar 05, 2008 at 06:13:10PM +0100, Michael Kreim wrote:
> Hello,
>
> I am analysing my DCD-trajectories with VMD.
> But my scripts are running slow.
>
> Therefore my question: Is it possibly to run VMD in parallel?
>
> I am sitting an on a 2-dual-core-machine and in NAMD I can do something
> like:
> charmrun namd2.6.linux ++local +p8 ./config.namd
>
> Is it possible to do something similar in VMD?
> I am starting my VMD-scripts with vmd -dispdev text -e so there is no
> need for the graphic-features.
> I only would like to run faster vmd-tcl-analysing-scripts.
>
> Thanks a lot and best regards,
>
> Michael 

-- 
NIH Resource for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
Email: johns_at_ks.uiuc.edu                 Phone: 217-244-3349
  WWW: http://www.ks.uiuc.edu/~johns/      Fax: 217-244-6078