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