[gmx-users] Desktop computer for simulations and visualisation

[Dallas Warren]

Was just looking for people's opinion on an idea I have.

Currently I use an old O2 for visualisation of my trajectories etc. using 
VMD.  With the number of atoms that I am getting to now, that is getting to 
be a bit too much for it.  So I am looking to get something that can 
display things much more smoothly and faster.  Additionally, as all MD 
people are inclined, more CPU time to use would be nice.

So the idea is to get one of the current fastest dual (or quad?) processor 
PC, run Linux, then use it for visualisation as well as running some 
simulations.  I was thinking something like Xeon or Athlon (have to look at 
the extra speed etc for the extra cost), fastest card that VMD can work 
with etc.

Are there any problems with that, from a technical or implementation view 
point?  Or is this something that some people already do?

Of course there is all the issues to do with actual components, which one, 
expense versus performance etc, but that is the next step :-)

I have noticed from discussions on this list that most people run the 
Athlon in their clusters.  From the sound of it you get good bang for your 
buck.  I also know that the couple of super computers I have CPU time on 
down here use either Xeon or Alphaservers.  What about the Opteron (AMD)?

Ahh, the joy and confusion of purchasing a computer ;-)

Catch ya,

Dr. Dallas Warren
Research Fellow
Department of Pharmaceutical Biology and Pharmacology
Victorian College of Pharmacy
Monash University
381 Royal Parade
Parkville VIC 3010
dallas.warren at vcp.monash.edu.au
+61 3 9903 9083
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