[QE-users] crash of fs.x

[patrizio.graziosi at cnr.it]

  Great hint!

  Thank you so much

  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