[Ifeffit] feff question

[Matt Newville]

Hi George,

On Wed, Nov 3, 2010 at 2:07 PM, George Sterbinsky
<GeorgeSterbinsky at u.northwestern.edu> wrote:

> 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.

I doubt it.

>> 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?


"./feff702" didn't work because, as reported, there is no file named
"feff702".

That file would have been created by "gfortran -o feff702 feff702.f",
but was not created because the gfortran program was not found, also
as reported.

What you probably need to do is either add '/usr/local/bin' to your
path before running
  > gfortran -o feff702  feff702.f

or be explicit and run
 > /usr/local/bin/gfortran -o feff702 feff702.f

Then, check that there is a file "feff702", and try to run it:
 > ./feff702

>> 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.

OK.


--Matt