[Pw_forum] QE and mpich2, Linux

[Paolo Giannozzi]

On Jan 31, 2011, at 24:42 , ac.rain at inbox.com wrote:

> For example 1hr45mins for 4 cores, 2hr10mins for 24 cores,
> and 2hr36mins for 3x systems with 24 cores (using the -n 62 option).

in order to take advantage of parallelization, some understanding of
how parallelization works in QE is needed. The user guide and this  
document:
http://www.fisica.uniud.it/~giannozz/QE-Tutorial/tutorial_para.pdf
contain some info. Throwing in more processors will not by itself do  
the job.

P.
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Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222