[Pw_forum] Fortran compiler
Miguel Martinez Canales
miguel.martinez at ehu.es
Wed Mar 24 12:25:01 CET 2010
Dear all,
Following Paolo's warning, I've performed some tests with a not so
surprising result: Paolo was right. For some reason, the ubuntu 9.10
builds of gfortran 4.3 and 4.4.1 give astonishingly different results
for example07. Well, the pw.x output is the same as in the reference,
but the lambda values... at least they are of the same order of
magnitude. Mind you, for once this is not an ubuntu bug, as it also
happens in self-compiled gfortran 4.4.3 (Red Hat 5.4 in this case).
However, the differences in lambda don't seem important in the case of
gfortran 4.1.2 (the default in Red Hat) or 4.2.4 (the oldest version
available in ubuntu 9.10).
I'm going to check other examples to see whether there are very
different phonon frequencies elsewhere, but I don't expect anything
good at all.
Regards,
Miguel
Paolo Giannozzi <giannozz at democritos.it> escribió:
>
> On Mar 17, 2010, at 16:35 , Vo, Trinh (388C) wrote:
>
>> I am actually compiling QE with the current version of gfortran,
>> and I have to think again whether I should continue to use it. :-).
>
> you should, unless you have evidence of the opposite, or unless
> you are using exotic features, or the phonon code. The basic
> functionalities seem to work.
>
> P.
> ---
> Paolo Giannozzi, Dept of Physics, University of Udine
> via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
>
>
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--
----------------------------------------
Dr Miguel Martinez Canales
Department of Physics & Astronomy
University College London
Gower Street, London, WC1E 6BT (UK)
Fax: +44 207 679 0595
Tlf: +44 207 678 3476
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