[Pw_forum] warning message about matdyn.x

Chengyang Li li.chengyang at wmich.edu
Mon Oct 15 21:27:15 CEST 2012


I update the software to the version 5.0.1, now it works. I think the reason should be from the old matdyn.f90. Thank you for your help.

Chengyang

----- Original Message -----
> From: "Paolo Giannozzi" <giannozz at democritos.it>
> To: "PWSCF Forum" <pw_forum at pwscf.org>
> Sent: Thursday, October 11, 2012 4:08:00 PM
> Subject: Re: [Pw_forum] warning message about matdyn.x
> On Oct 11, 2012, at 22:38 , Chengyang Li wrote:
> 
> > I find I can not open matdyn.x correctly, it shows random characters
> 
> nobody told you to look into a binary file. You have to look into the
> fortran file.
> See below.
> 
> > And when I checked the mailing list, I found this thread has a
> > similar problem.
> >
> > http://www.democritos.it/pipermail/pw_forum/2012-June/024244.html
> >
> > In my self consistent calculation input file, I choose to use the
> > lattice vectors rather than ibrav/celldm, is it the reason that I
> > can not calculate the phonon frequency with matdyn.x?
> 
> if you haven't updated your version of matdyn.f90, maybe this is the
> reason.
> Mine works.
> 
> >> your file looks fine, so you have to find out what happened.
> >> The error message is quite clear and explains what happens
> >> where:
> >>
> >>>>>      At line 658 of file matdyn.f90 (unit = 1, file = 'cr04.fc')
> >>>>>       Fortran runtime error: Bad real number in item 8 of list
> >>>>>       input
> >>
> >> so: go to line 658 of file matdyn.f90 and find what is read there
> >>
> >> P.
> >> ---
> >> Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
> >> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> >> Phone +39-0432-558216, fax +39-0432-558222
> >>
> >>
> >>
> >>
> >> _______________________________________________
> >> Pw_forum mailing list
> >> Pw_forum at pwscf.org
> >> http://pwscf.org/mailman/listinfo/pw_forum
> > _______________________________________________
> > Pw_forum mailing list
> > Pw_forum at pwscf.org
> > http://pwscf.org/mailman/listinfo/pw_forum
> 
> ---
> Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
> 
> 
> 
> 
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