[Pw_forum] PWscf and highly parallel machines

[Paolo Giannozzi]

On Feb 14, 2007, at 10:39 , Alain Allouche wrote:

> I wonder if somebody have the experience of PW codes
> running on highly parallel machines like in those of the DEISA
> supercomputing grid, are the codes like pw.x supporting
> such an environment ?

they have to, since I am involved in a DEISA project that
will use pw.x :-) .Support for very large calculations with
pw.x is less mature than for the Car-Parrinello code, which
on test run has reached 4000 processors or so. With PW
codes some work will be needed in order to perform really
large calculations (notably, reduction of nonscalable memory
usage and of nonparallel parts of the code) but it will be
done.

Paolo
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Paolo Giannozzi, Democritos and University of Udine, Italy