[QE-users] crash of fs.x

[Paolo Giannozzi]

fs.x is not parallelized so it makes sense to run it on a single processor.
This being said, it should work also in parallel execution (I ran it in
parallel and it was working)

Paolo

On Thu, Feb 4, 2021 at 10:38 AM <patrizio.graziosi at cnr.it> wrote:

>   quick update, maybe useful, I tried to run fs.x in series, and it
> run smoothly
>
>   Patrizio
>
>
> Paolo Giannozzi <p.giannozzi at gmail.com> ha scritto:
>
> > 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
> >>
> >>
> >>
> >> _______________________________________________
> >> Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
> >> users mailing list users at lists.quantum-espresso.org
> >> https://lists.quantum-espresso.org/mailman/listinfo/users
> >>
> >
> >
> > --
> > 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
>
>
>
> _______________________________________________
> Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
> users mailing list users at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users
>


-- 
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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