On Wed, Nov 26, 2014 at 11:27 PM, W2AGZ <[email protected]> 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 > > [email protected] > > http://www.w2agz.com > > > > > > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum -- Dr. Axel Kohlmeyer [email protected] http://goo.gl/1wk0 College of Science & Technology, Temple University, Philadelphia PA, USA International Centre for Theoretical Physics, Trieste. Italy. _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
