[Pw_forum] IOTK library

[Ruibin Liu]

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
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