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 <[email protected]> wrote: > Dear Paolo, dear Michal, > > Thank you so much for the indications, I see it is not a > straightforward task... > > Patrizio > > > Paolo Giannozzi <[email protected]> ha scritto: > > > On Wed, Feb 3, 2021 at 11:56 AM <[email protected]> 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 [email protected] > 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 [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
