[QE-users] crash of fs.x

[patrizio.graziosi at cnr.it]

  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