[Pw_forum] INSTALL QE ON MAC PRO SIX CORE (INTEL XEON E5)
reyna mendez camacho
reyna129b at hotmail.com
Wed Sep 9 16:32:43 CEST 2015
Thank yo very much. The problem was solved with: enable-parallel and disable-openmp, export MPIF90 = mpif90.
currently already he is running.
I have a doubt:How do I know if you are using all the cores?.
Thanks again.Best regards
M. C. Reyna Méndez Camacho.
> From: spiga.filippo at gmail.com
> Date: Mon, 7 Sep 2015 22:42:30 +0100
> To: pw_forum at pwscf.org
> Subject: Re: [Pw_forum] INSTALL QE ON MAC PRO SIX CORE (INTEL XEON E5)
> On Sep 7, 2015, at 5:05 PM, reyna mendez camacho <reyna129b at 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.
> Mr. Filippo SPIGA, M.Sc.
> Quantum ESPRESSO Foundation
> http://fspiga.github.io ~ skype: filippo.spiga
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