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FEFF8.5L compilation notes

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Summary

Explained how to compile FEFF 8.5L (one-file source code) with ifort.

Environment

OS

Debian GNU/Linux 10.4 Buster

Compiler

ifort 14.0

Procedure

$ source /opt/intel/bin/ifortvars.sh intel64
$ ifort feff85L.f -o feff85L

That's all.

On gfortran

If you use gfortran, you will encounter several issues.

With gfortran 8.3.0

$ gfortran feff85L.f -o feff85L

You will have several syntax errors such as...

feff85L.f:11742:21:

      2               dmag, vclap, vtot, vvalgs, imt, inrm, rmt, rnrm,
                     1
Error: Actual argument contains too few elements for dummy argument ‘dmag’ (3012/3263) at (1)

With -std=legacy

$ gfortran -std=legacy feff85L.f -o feff85L

You will still have several syntax errors such as...

feff85L.f:1032:1:

 d                 read(words(1),30,err=900) xivec(1)  ! read direction of incoming beam
 1
Error: Non-numeric character in statement label at (1)