[CPMD-list] Bug in OPENMP-code

Juerg Hutter hutter at pci.unizh.ch
Wed Oct 27 13:37:21 CEST 2004


Thanks a lot.
We will make the changes in the next release of the code.

regards

Juerg Hutter

----------------------------------------------------------
Juerg Hutter                   Phone : ++41 1 635 4491
Physical Chemistry Institute   FAX   : ++41 1 635 6838
University of Zurich           E-mail: hutter at pci.unizh.ch
Winterthurerstrasse 190
CH-8057 Zurich, Switzerland
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On Tue, 12 Oct 2004, "J. Schüle" wrote:

> Hi,
> I just found a BUG in nfunc.F regarding OPENMP parallelization. Due to
> the OPENMP definition, private variables are declared anew without being
> set to previous initializations. Thus the lines 30,133,255 in nfunc.F
> have to be changed from
> private(X1,X2,X3,X4) to
> firstprivate(X1,X2,X3,X4)
> Other variables on these lines are best kept as private as they are.
>
> Regards,
>    Josef Schüle
>
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