[Dock-fans] MPI-DOCK6

[John J. Irwin]

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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