quick update, maybe useful, I tried to run fs.x in series, and it
run smoothly
Patrizio
Paolo Giannozzi <p.gianno...@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.grazi...@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.gianno...@gmail.com> ha scritto:
> On Wed, Feb 3, 2021 at 11:56 AM <patrizio.grazi...@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
_______________________________________________
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
users mailing list users@lists.quantum-espresso.org
https://lists.quantum-espresso.org/mailman/listinfo/users
