[Ifeffit] feff question

George Sterbinsky GeorgeSterbinsky at u.northwestern.edu
Wed Nov 3 14:07:29 CDT 2010


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 at 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 <terryj at iit.edu> 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
>> > <GeorgeSterbinsky at u.northwestern.edu> 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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