Re: [Ifeffit] feff question

Josh, That seems to have done the trick! thank you, George On Wed, Nov 3, 2010 at 7:22 PM, Joshua Kas wrote:

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

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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

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wrote:

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Hi George,

On Wed, Nov 3, 2010 at 2:37 PM, George Sterbinsky

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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

wrote: the

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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@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit