[Pw_forum] QHA Compile: Using gfortran instead of ifort

[Axel Kohlmeyer]

On Wed, Nov 26, 2014 at 11:27 PM, W2AGZ <w2agz at w2agz.com> wrote:
> To the Community:
>
>
>
> I believe I may have raised this question in the far distant past.
>
>
>
> It appears that under QE-5.1.1, it is still necessary to compile the source
> code within QHA using ifort.  Are any in the QE community aware of a QHA
> package compile-able with gfortran, or object code resulting from such?  Is
> there an equivalent to QHA somewhere within the QE package (or outside!)
> capable of yielding similar results such as, e.g., Debye temperatures?
>
>
>
> As always, thanks for any advice/guidance.

for the most part it seems as if all it needs is somebody with a
little bit to time to sit down and replace the loops using floating
point variables with the equivalent using integral loop variables.

using floating point loop variables is very, *very*, *VERY* bad
programming style (due to limitations of floating point math) and as
of the last decade removed from the fortran standard.

not really rocket science...

axel.

>
>
>
> Paul Michael Grant, PhD
>
> Physicist and Science Writer
>
> Senior Life Fellow, American Physical Society
>
> Fellow, Institute of Physics, United Kingdom
>
> w2agz at w2agz.com
>
> http://www.w2agz.com
>
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-- 
Dr. Axel Kohlmeyer  akohlmey at gmail.com  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.