Hello to all,
I'v compiled the 3.0-b version of siesta on my Mac 10.6 (ifort 11.1 -
openmpi-1.4 - scalapack 1.8.0) and I receive a very similar error running a
test like that of Jingbin
fusi:benzene zucco$ make
>>>> Running benzene test...
==> Copying pseudopotential file for H...
==> Copying pseudopotential file for C...
==> Running SIESTA as /usr/local/distribution/openmpi-1.4/bin/mpirun --mca
btl ^openib -np 2 ../../../Obj/siesta
...
Wrong format in Chemical_species_label
ERROR STOP from Node: 0
...
What I've done wrong? Older compilation have always well worked.
Thanks to all
m.
On 10 Sep 2010, at 13:53, Jingbin Li wrote:
> Hi all,
>
> I tried to build a parallel version of siesta 3 on our team's cluster. The
> siesta version is siesta-3.0-rc2.
> It compiles fine but when I run the automate tests, I am getting the
> following error for all the tests:
>
> >>>> Running sih test...
> ==> Copying pseudopotential file for Si...
> ==> Copying pseudopotential file for H...
> ==> Running SIESTA as /home/jingbli/SIESTA/Obj/siesta
> ERROR(FoX)
> Invalid Element Name atom
>
> Searching the archieve threads, I saw an email from Albertoto suggest
> disabling XML output in fdf with "WriteXML F", After setting this option in
> the fdf file, I did see the test finish. Just wondering anybody else has
> other workaround to get XML result, so we can use xml differencer.
>
> Thanks,
> Jingbin
>
*******************************************************
Marino Vetuschi Zuccolini
[email protected]
Researcher / Geochemist
Laboratory of Geochemistry
DIPartimento per lo studio della TErra e delle sue RISorse - Università di
Genova
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