It seems not easy to fix in that way. 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 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120920/2e1c205f/attachment.htm
