[Ifeffit] feff question

[Joshua Kas]

Hi George,
The obsolete warning is probably not a big deal, however, the compilation
should be tested since compiling with gfortran has not been well tested for
feff7.  If you can get an old version of g77, you won't have issues.
Otherwise, I would use the following command when running gfortran.

gfortran -finit-local-zero -o feff702 feff702.f

This may not work with your version of gfortran (-finit-local-zero is not in
the manual) but if it does, the compiled feff will be less likely to have
runtime errors.
Cheers,
Josh Kas

I installed gfortran-4.2.3.dmg file on top of the gfortran-42-5577.pkg and
> can now see "gfortran" in '/usr/local/bin'. I am also able to compile
> simple
> fortran code, but when I attempt to run Feff7 I get the following message:
>
> bash-3.2$ /usr/local/bin/gfortran -o feff702 feff702.f
> feff702.f:12161.72:
>
>            if (den.eq.0) pause 'failure in polint'
>                                                                       1
> Warning: Obsolete: PAUSE statement at (1)
> feff702.f:12226.72:
>
>            if (den.eq.0) pause 'failure in polint'
>                                                                       1
> Warning: Obsolete: PAUSE statement at (1)
> bash-3.2$
>
> Any idea as to what the problem is now?
>
> Thank you,
> George
>
>
>
> On Wed, Nov 3, 2010 at 3:45 PM, Matt Newville <newville at cars.uchicago.edu
> >wrote:
>
> > Hi George,
> >
> > On Wed, Nov 3, 2010 at 2:37 PM, George Sterbinsky
> > <GeorgeSterbinsky at u.northwestern.edu> wrote:
> > > I've also noticed that there is not a file or directory called gfortran
> > in
> > > '/usr/local/bin'. This is what made me think I may also need to install
> > the
> > > gfortran-4.2.3.dmg file. If I do not see a file or directory called
> > gfortran
> > > in '/usr/local/bin' does this indicate that gfortran is not installed?
> Is
> > it
> > > possible that gfortran-42-5577.pkg placed it somewhere else?
> >
> > Yes, those are all possible.   You need to install gfortran, find out
> > where it is, and then run it to compile and link feff702 into an
> > executable.    It sounds like you might want to get a local unix-savvy
> > person who can help you....
> >
> > --Matt
> > _______________________________________________
> > Ifeffit mailing list
> > Ifeffit at millenia.cars.aps.anl.gov
> > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
> >
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