ADL: Best modern hardware for autodock vina use

Brian Moldover moldoverb at gmail.com
Mon Apr 28 13:40:35 PDT 2014


If you're into building your own, you can put together a quad processor
server pretty easily and populate it with multicore processors. Vina won't
necessarily need to use all the processors per docking, but you can write
some scripts and run multiple jobs at once. 

I build a 32-core test server last year for about $2k. Supermicro
motherboard and  8-core Opteron 6100 processors. Put in in a 4u server case.
The newer boards allow up to the 16-core chips, but those are expensive. 
 
-----Original Message-----
From: autodock-bounces at scripps.edu [mailto:autodock-bounces at scripps.edu] On
Behalf Of Aiden Aceves
Sent: Monday, April 28, 2014 3:44 PM
To: autodock at scripps.edu
Subject: ADL: Best modern hardware for autodock vina use

Hi All,
I am in the process of writing a grant to purchase hardware for running
Vina. If my budget is $3000 or so, what is recommended? I know number of
cores and clock speed are important, but what about RAM? I have been looking
at dell power edge servers, with xeon processors, and also desktop octa-core
chip sets. I will be preforming 10's of thousands of dockings.
Thoughts?

--
Aiden J. Aceves
860903101
Undergraduate Student
BS, Chemistry
University of California Riverside
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