[Dock-fans] MPI-DOCK6

[Collignon, Barbara C.]

thanks for all John!

Barbara 


-----Original Message-----
From: John J. Irwin [mailto:jji at cgl.ucsf.edu]
Sent: Fri 4/17/2009 12:48 PM
To: Collignon, Barbara C.
Cc: dock-fans at docking.org
Subject: Re: [Dock-fans] MPI-DOCK6
 
Hi Barbara

Yes, MPI is all about coordinating many CPUs to work on a single docking
job.  Since docking is embarassingly parallel, you can also simply break
the database up into chunks and run each on a separate processor, and
combine the results at the end.

John


Collignon, Barbara C. wrote:
> is the mpi.dock6 for VS (one docking per CPU) or to use several CPU for one docking ?
>
> Barbara 
>
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