The intel ifort + mkl for k-point parallel.
Scalapack for mpi (check if it is in the package you are looking at)
Intel mpi is good, but openmpi and mvapich as also good. I currently
prefer the intelmpi.
The intel C compiler is not critical (gcc should be fine). If it comes
with, use it. I would not purchase it just for Wien2k.

On Mon, Oct 31, 2016 at 6:18 AM, Luis Ogando <> wrote:
> Dear Wien2k community,
>    A quick question: to compile and run Wien2k, do I need only the Intel
> Fortran and C compilers with MKL (Composer Edition) plus Intel MPI or do I
> have to buy the licence for the complete "cluster edition" (
>  ) ?
>    All the best,
>                   Luis

Professor Laurence Marks
"Research is to see what everybody else has seen, and to think what
nobody else has thought", Albert Szent-Gyorgi ; Corrosion in 4D:
Partner of the CFW 100% program for gender equity,
Co-Editor, Acta Cryst A
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