[CP2K:9731] cp2k.ssmp maximum number of threads?

hut... at chem.uzh.ch hut... at chem.uzh.ch
Mon Nov 27 16:33:05 UTC 2017


there is no maximum number of threads that can be used.
However, no speedup (even a slowdown) can be seen going beyond a certain 
number of threads. The actual optimal number of threads depends
on your hardware and on the system to be calculated.


Juerg Hutter                         Phone : ++41 44 635 4491
Institut für Chemie C                FAX   : ++41 44 635 6838
Universität Zürich                   E-mail: hut... at chem.uzh.ch
Winterthurerstrasse 190
CH-8057 Zürich, Switzerland

-----cp... at googlegroups.com wrote: -----To: cp2k <cp... at googlegroups.com>
From: Vedran Miletić 
Sent by: cp... at googlegroups.com
Date: 11/27/2017 03:59PM
Subject: [CP2K:9731] cp2k.ssmp maximum number of threads?


is there a maximum number of threads that cp2k.ssmp will use? I have been trying small systems (2-5 heavy atoms), but it doesn't go above 8 threads on a dual-CPU 16-core 32-thread machine.



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