[CPMD-list] [Fwd: Error Encountered During CPMD-3.9.2 Compilation]

[Alessandro Curioni]

Igor,

I plan to make the tests you are refeering to  available - together  with 
others- for benchmark purposes.

The use of the OpenMP on top of MPI - for example- it works  well on JS20 
Myrinet connected clusters
(e.g. MareNostrum) if you want to push the scaling to the 1000 processors 
regime.
In any case - I have already written the main reasons to use the dual 
parallelism in my earlier note.


BTW  The report  ( by Prof. Hutter and myself) is now published in 
Parallel Computing  (31)  1 (2005).


Best REgards,

Alessandro CURIONI, PhD
Research Staff Member
Computational Biochemistry and Material Science group
IBM Research Division - Zurich Research Laboratory
Saumerstrasse 4
8003 Rueschlikon - Switzerland
e-mail: cur at zurich.ibm.com
www:    www.zurich.ibm.com
Tel: +41-1-7248633
Fax: +41-1-7248958
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