[Pw_forum] problem in vc-relax

[Lars Matthes]

I followed the discussion quite a while, hoping
somebody knows the solution to this problem.
I'm using QE 4.3.2 and due to the structure of our
cluster I had no other choice than compiling the
program with gfortran as well.
During the calculations the same problem in the "calbec"
routine occured. On another cluster where I
compiled QE with the xlf compiler the error disappeared.

Therefore, I think it is a problem related to the gfortran
compiler.

Any further ideas how to overcome the problem?



2011/10/5 Paolo Giannozzi <giannozz at democritos.it>

>
> On Oct 5, 2011, at 20:57 , Alexander G. Kvashnin wrote:
>
> > I compiled it with gfortran, and also did it with g95, but I also
> > have this error
>
> all I can say is that the problem you observe is in some way related
> to the
> case of zero nonlocal projectors, but
> 1) it works for me (and everybody else, I guess)
> 2) if it works on the tests, it should work in all other cases
>
> P.
> ---
> Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
>
>
>
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-- 
Lars Matthes
Institut für Festkörpertheorie und -optik
Friedrich-Schiller-Universität Jena
Max-Wien-Platz 1
07743 Jena
Germany

Phone: +49.3641.947163
Mail:  Lars.Matthes at uni-jena.de
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