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 <[email protected]> wrote: > quick update, maybe useful, I tried to run fs.x in series, and it > run smoothly > > Patrizio > > > Paolo Giannozzi <[email protected]> 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 <[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 > -- 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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