[gmx-users] Parallel message passing

[David van der Spoel]

> > The PME algorithm uses full all-to-all communication. However in general
> > you want to reduce communication to a minimum (by using clever
> > algorithms). What kind of network do you have?
> 
> A very fast one.  Processors are relatively slow (~700MHz ppc32), nodes
> are connected on a torus, distributed memory, 256 or 512MB/processor node
> - no virtual memory.  I compile with xlC, to be practically useful GROMACS
> has to scale to >=512 processors...
Blue Gene?

-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,          75124 Uppsala, Sweden
phone:  46 18 471 4205          fax: 46 18 511 755
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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