[Wien] Intel compilers and MPI

[Luis Ogando]

Dear Prof Marks,

   Thank you very much for your help.
   All the best,
              Luis


2016-10-31 16:27 GMT-02:00 Laurence Marks <L-marks at northwestern.edu>:

> 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 <lcodacal at gmail.com> 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" (
> > https://software.intel.com/en-us/intel-parallel-studio-xe  ) ?
> >    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
> www.numis.northwestern.edu ; Corrosion in 4D:
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> Co-Editor, Acta Cryst A
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