[Pw_forum] Fwd: Mixed MPI-OpenMP

[Paolo Giannozzi]

On Jul 24, 2009, at 18:57 , Paolo Giannozzi wrote:

>    DFLAGS=...-D__OPENMP _D__FFTW (or -D__ESSL if you have an IBM
>    machine with ESSL and AIX, -D__ESSL_LINUX with ESSL and Linux)
>
>    compilation flags for openmp (-openmp for ifort)
>
>    openMP-aware libraries (essl, mkl, acml I think)
>
>    OMP_NUM_THREADS set to the number of desired processes in the
>    script that submits the job


correction:
    DFLAGS=...-D__OPENMP _D__FFTW + ifort -openmp + mkl
is tested and safe; other combinations may still run into trouble
due to conflicts between "internal" OpenMP and autothreading
libraries.

P.
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Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222