[QE-users] crash of fs.x

[Paolo Giannozzi]

Alternatively: copy the xml data file (should be the only one needed) to a
different machine (different from Galileo :-) ), run fs.x on that machine.

Paolo

On Thu, Feb 4, 2021 at 8:48 AM <patrizio.graziosi at cnr.it> wrote:

>   Dear Paolo, dear Michal,
>
>   Thank you so much for the indications, I see it is not a
> straightforward task...
>
>   Patrizio
>
>
> Paolo Giannozzi <p.giannozzi at gmail.com> ha scritto:
>
> > On Wed, Feb 3, 2021 at 11:56 AM <patrizio.graziosi at cnr.it> wrote:
> >
> >
> >> Can you support me in understanding where or what I have to look at,
> >> in order to deal with this issue, please?
> >>
> >
> > This is unfortunately a non-trivial endeavour. You should first of all
> > figure out whether the problem occurs always or only under some
> > circumstances. If you manage to find a small model (with small cutoff,
> > cell, k-point grid) that still exhibits this problem, you may try to
> print
> > and compare partial results on Galileo and on some other machines. This
> > however requires the ability to compile QE and to figure out where to do
> > the needed changes. If there is a compiler (or library) bug, however, you
> > may discover, much to your disappointment, that changing a single line
> > makes the bug disappear.
> >
> > Paolo
> > --
> > Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
> > Univ. Udine, via delle Scienze 206, 33100 Udine, Italy
> > Phone +39-0432-558216, fax +39-0432-558222
>
>
>
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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