[Ifeffit] Compiling Feff 8.4 on Linux

[prange]

>

Hi Adam,

Feff 8.4 currently does not work with gfortran, but people have  
successfully used g95 (http://www.g95.org/), which is also free and  
open source, with feff 8.1 and 8.4.

Good luck,

Micah Prange
University of Washington Physics

> Hi all,
>
> I have having difficulty compiling feff 8.4. I am using gcc version  
> 4.1.1 20070105 (Red Hat 4.1.1-52) on Scientific Linux 5.0. It  
> compiles but gives many warnings like:
> Warning: Obsolete: arithmetic IF statement at (1)
> In file FEFF810.F:4208
>
>        if (i-1) 85,85,83
>
> The compile finished however and I tried to run it. The input file  
> was a BN example file that came with Feff 8.1. It runs for a little  
> while and stops with:
> Done with module 1: potentials.
> Calculating LDOS ...
> At line 47994 of file feff84.f
> Fortran runtime error: Bad value during integer read
>
> I compiled using: gfortran -O2 -o feff84 feff84.f
>
> Has anyone seen this sort of thing? Or compiled Feff 8.4 with  
> gfortran? I did the same with feff 8.1 and it compiled and ran  
> correctly.
>
> Cheers,
> Adam
>
> -- 
> ----------------------------------------------------------
> Dr. M. Adam Webb
> HASYLAB at DESY
> Notkestrasse 85
> D-22607 Hamburg
> Germany
>
> Phone: +49 40 8998-1994, Fax: +49 40 8998-2787
> E-mail:  adam.webb at desy.de
> -----------------------------------------------------------