Re: [Ifeffit] feff question

Is it possible that I need to download and install the gfortran-4.2.3.dmg file in addition to gfortran-42-5577.pkg file? Any suggestions as to what to try would be appreciated. thanks, George On Tue, Nov 2, 2010 at 1:59 PM, George Sterbinsky < GeorgeSterbinsky@u.northwestern.edu> wrote:

Matt, Jeff and List members,

It took me some time to find a download for version of Xcode that was compatible with my OS and gfortran. I installed Xcode 3.1.4 and the gfortran-42-5577.pkg file from the link Matt sent. I put the feff702.f file and the feff.inp file in the same folder. I used the x11 terminal to cd into that folder and the tried the commands that you suggested, but neither worked. When I try "gfortran -o feff702 feff702.f" I get the message "gfortran: command not found" and when I type "./feff702" I get the message "./feff702: No such file or directory". Any idea as to what I am doing wrong or suggestions as to what to try next?

Also, to answer Matt's question: I want to use Feff7 because I am trying to compare my results to fits done my someone else, who used Feff7, and I want to change as little as possible for my analysis.

Thank you, George

On Wed, Oct 27, 2010 at 2:29 PM, Jeff Terry wrote:

...

Following Matt's example, you would go to the directory where you build the program. You need to have a valid feff.inp file inside that directory.

At the prompt (%), could be different depending on what shell you are running, type:

./feff702

It should run.

Jeff

On Oct 27, 2010, at 1:19 PM, Matt Newville wrote:

...

Hi George,

Feff6 comes built in with the Mac distributions of Ifeffit (iXAFS.app), and is at /Applications/iXAFS.app/Contents/Resources/local/bin/feff6.

Is that OK or do you really need Feff7? There's not much in Feff7 that's not in Feff6 (or a whole lot better in Feff8). FWIW, that version was built with gfortran 4.2, downloaded from http://r.research.att.com/tools/. I believe you'll need xcode installed. Once installed gfortran -o feff702 feff702.f should work.

Cheers,

--Matt

On Wed, Oct 27, 2010 at 12:43 PM, George Sterbinsky wrote:

...

Hi, I am hoping someone can explain to me how to run Feff 7 on a mac (OSX version 10.5.8) starting from the feff702.f file.

Thank you, George

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