On Thu, Sep 20, 2012 at 11:57 PM, Ruibin Liu <rainbee1988 at gmail.com> wrote: > It seems not easy to fix in that way.
how so? which compiler and which version of it *are* you using? testing yet another input doesn't prove anything. axel. > I am following the examples here > http://www.fisica.uniud.it/~giannozz/QE-Tutorial/tutorial_pwscf_ex.pdf > and I get in trouble in the second step of nscf calculation. Here is the > detailed error information: > # WARNING: there are pending errors > # PENDING ERROR (ierr=1) > # ERROR IN: iotk_tag_parse (iotk_misc.f90:999) > # CVS Revision: 1.39 > # Wrong syntax in tag > tag=1984) Info: automatically converted from PWSCF format F The > Pseudo was generated with a Non-Relativistic > # ERROR IN: iotk_scan (iotk_scan.f90:829) > # CVS Revision: 1.23 > # direction > control=2 > # ERROR IN: iotk_scan_end (iotk_scan.f90:241) > # CVS Revision: 1.23 > # foundl > # ERROR IN: iotk_close_read (iotk_files.f90:746) > # CVS Revision: 1.20 > # FROM IOTK LIBRARY, VERSION 1.2.0 > # UNRECOVERABLE ERROR (ierr=2) > # ERROR IN: iotk_scan_end (iotk_scan.f90:241) > # CVS Revision: 1.23 > # foundl > # ERROR IN: iotk_close_read (iotk_files.f90:746) > # CVS Revision: 1.20 > > What happened? > > Thanks, > Ruibin > > On Fri, Sep 7, 2012 at 2:53 PM, Axel Kohlmeyer <akohlmey at gmail.com> wrote: >> >> On Fri, Sep 7, 2012 at 8:50 PM, Ruibin Liu <rainbee1988 at gmail.com> wrote: >> > I checked that file and found that it's already Q_REAL_SPACE, but I >> > encountered similar problems like >> > >> > ######################################################################################################################## >> > # FROM IOTK LIBRARY, VERSION 1.2.0 >> > # UNRECOVERABLE ERROR (ierr=1) >> > # ERROR IN: iotk_scan_end (iotk_scan.f90:241) >> > # CVS Revision: 1.23 >> > # foundl >> > # ERROR IN: iotk_close_read (iotk_files.f90:746) >> > # CVS Revision: 1.20 >> > >> > ######################################################################################################################## >> > How to fix it? >> >> i think the consensus is that you have to use >> a better compiler. one that works correctly and >> is not broken like older versions of gfortran. >> >> axel. >> >> >> > >> > -- >> > Liu, Ruibin >> > Department of Chemistry >> > Duke University >> > Durham, NC, 27708 >> > >> > >> > >> > _______________________________________________ >> > Pw_forum mailing list >> > Pw_forum at pwscf.org >> > http://www.democritos.it/mailman/listinfo/pw_forum >> > >> >> >> >> -- >> Dr. Axel Kohlmeyer akohlmey at gmail.com http://goo.gl/1wk0 >> International Centre for Theoretical Physics, Trieste. Italy. >> _______________________________________________ >> Pw_forum mailing list >> Pw_forum at pwscf.org >> http://www.democritos.it/mailman/listinfo/pw_forum > > > > > -- > Liu, Ruibin > Department of Chemistry > Duke University > Durham, NC, 27708 > > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > -- Dr. Axel Kohlmeyer akohlmey at gmail.com http://goo.gl/1wk0 International Centre for Theoretical Physics, Trieste. Italy.
