On Thu, Nov 5, 2020 at 3:05 PM Baer, Bradly <bradly.b.b...@vanderbilt.edu> wrote:
> *Pseudo file Ga.pbe-dn-kjpaw_psl.1.0.0.UPF has been fixed on the fly.* > *To avoid this message in the future, permanently fix * > * your pseudo files following these instructions: * > *https://gitlab.com/QEF/q-e/blob/master/upftools/how_to_fix_upf.md > <https://gitlab.com/QEF/q-e/blob/master/upftools/how_to_fix_upf.md>* > This is a possible source of trouble if the output directory is not visible to all processors. Please try one of the following: - do what it is suggested (or simply: edit Ga.pbe-dn-kjpaw_psl.1.0.0.UPF, replace all occurrences of "&" with "&") - get version 6.6, that reads the pseudopotential file on one processor and broadcast its contents to all other processes - get the development version, that in addition is not sensitive to the presence of nonstandard "&" in the files, Paolo > > > -Brad > > -------------------------------------------------------- > Bradly Baer > Graduate Research Assistant, Walker Lab > Interdisciplinary Materials Science > Vanderbilt University > > > ------------------------------ > *From:* users <users-boun...@lists.quantum-espresso.org> on behalf of > Paolo Giannozzi <p.gianno...@gmail.com> > *Sent:* Thursday, November 5, 2020 2:33 AM > *To:* Quantum ESPRESSO users Forum <users@lists.quantum-espresso.org> > *Subject:* Re: [QE-users] Running efficiently on multiple nodes > > On Wed, Nov 4, 2020 at 11:28 PM Baer, Bradly <bradly.b.b...@vanderbilt.edu> > wrote: > > > Now that I have two nodes, the script for a single node results in a crash > shortly after reading in the pseudopotentials. > > > which version of QE are you using, and which crash do you obtain, with > which executable? > > Paolo > -- > Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, > Univ. Udine, via delle Scienze 208, 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 -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 208, 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
