On Sep 7, 2015, at 5:05 PM, reyna mendez camacho <reyna1...@hotmail.com> wrote: > 5.- Change to the espresso directory and run the configure script > cd espresso-5.1 > export LAPACK_LIBS="-mkl=parallel" > export BLAS_LIBS= "-mkl=parallel" > export FFT_LIBS= "-mkl=parallel" > export MPIF90=mpiifort > export AR=xiar > ./configure --enable-openmp
And please do not export all those variables before run the configure. The configure in the QE 5.1 should be smart enough to pick the right MKL library without you exporting manually some of those variables. Try without and see how it goes. If you are going to run QE on a single six core socket, avoid OpenMP if parallel is enabled or disable parallel and leverage OpenMP. Both together do not have much sense of such a few amount of cores. HTH -- Mr. Filippo SPIGA, M.Sc. Quantum ESPRESSO Foundation http://fspiga.github.io ~ skype: filippo.spiga ***** Disclaimer: "Please note this message and any attachments are CONFIDENTIAL and may be privileged or otherwise protected from disclosure. The contents are not to be disclosed to anyone other than the addressee. Unauthorized recipients are requested to preserve this confidentiality and to advise the sender immediately of any error in transmission." _______________________________________________ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum
