[Pw_forum] Fwd: Mixed MPI-OpenMP

[Paolo Giannozzi]

Eduardo Ariel Menendez Proupin wrote:

> 1) How should one compile and run? I could not find it on the manual.

because it is not (yet) there: the mixed mpi-openmp parallelization
is still for the brave. If you feel brave:

   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

Paolo
-- 
Paolo Giannozzi, Democritos and University of Udine, Italy