Yes.
OMP directives have been added to the performance-critical routines.
The efficiency of the OMP parallelization depends on the wks, compiler and
libraries available.
Since the compiler flags to turn on the OMP parallelization are very much
dependent on the architecture and compiler used,
only the IBM xlf compiler settings for the SMP only or the mixed SMP-MPI
have been added.
The SMP version has however been tested on SGI wks (J. Hutter) and Linux
Red-Hat + Portland compiler.
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
"Jim Kress"
<kresslists at kress To: <cpmd-list at cpmd.org>
works.com> cc:
Sent by: Subject: [CPMD-list] CPMD and SMP
cpmd-list-admin at c
pmd.org
02/05/2003 05:23
PM
Is CPMD SMP enabled? Will it use both processors if two are present in a
workstation?
Thanks
Jim Kress
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