On Tue, Mar 16, 2021 at 4:25 PM Elio Physics <elio-phys...@live.com> wrote:
> > What I am doing is that I am creating the list of kpoints using kmseh.pl > and then copy paste into the input file. To run the pw.x executable I use a > PBS script. > I am 100% sure (well, 99.9999%) that the problem is in your input file Paolo > Regards > > > ------------------------------ > *From:* users <users-boun...@lists.quantum-espresso.org> on behalf of > Paolo Giannozzi <p.gianno...@gmail.com> > *Sent:* Monday, March 15, 2021 1:28 PM > *To:* Quantum ESPRESSO users Forum <users@lists.quantum-espresso.org> > *Subject:* Re: [QE-users] nscf crashing > > Something similar was reported some time ago. I don't remember exactly > what and when and what was the problem and what was the solution, but I am > quite sure it wasn't a problem of QE. Please verify that your data file > contains the correct syntax and the correct number of k-points. Also please > try whether "pw.x -in data-file" and "pw.x < data.file" give the same > problem > > Paolo > > On Sun, Mar 14, 2021 at 11:54 PM Elio Physics <elio-phys...@live.com> > wrote: > > Dear all, > > I am trying to perform an nscf calculation where the points in KPOINTS are > produced from kmesh.pl utility. I have realized that when list of number > of points exceeds a certain value (I am using 2304 points with the crystal > option), the code crashes with an error: > > from card_kpoints : error # 1 > end of file while reading crystal k points > > When I try producing a smaller grid with a smaller number of points , say > 1225 (crystal), the nscf calculation runs without complaints . I am using > the lastest version qe-6.7. I do not recall having this problem in a > previous version. > > Thanks in advance > > > _______________________________________________ > 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 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@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
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