[Pw_forum] still execution problem when compiling with openmp and ifort + flags for mpif90

[eitan eidelstein]

1. I checked your assumption that my intel compiler is "free version" and
the answer is NO.
   This is licensed (payed) "ifort version 13.0.1".
   So this is strange.... how come the --enable-openmp kills the examples?
2. And now for the gfortran compilation:
    How can I add flags to the MPIF90?
    for example:
    configure F90=gfortran-4.5 MPIF90="mpif90 -fc=gfortran-4.5"
    do not work since i get:
    checking for mpif90... mpif90
    checking whether we are using the GNU Fortran compiler... yes
    checking whether mpif90 accepts -g... yes
    checking version of mpif90... gfortran 4.3.4
    configure: WARNING: parallel compiler mpif90 uses gfortran, but serial
compiler gfortran-4.5 was detected
    configure: WARNING: assuming F90=gfortran, discarding gfortran-4.5
thanks, eitan.

On Wed, Jan 2, 2013 at 3:30 PM, eitan eidelstein <eitan.eidelstein at gmail.com
> wrote:

>
>
> Hello,
> If I try to use QE.5.0.2 compiled with  MPICC=icc CC=icc F90=ifort
> MPIF90=mpiifort F77=ifort MPIF77=ifort, all examples are o.k..
> If I add --enable-openmp to the configure flags then examples 6,7,11
> crashes:
>
> /home/eeitan/QE/espresso-5.0.2/PHonon/examples/example06 : starting
>
> This example shows how to use ph.x to calculate the phonons at X and Gamma
> of fcc-Pt using fully relativistic pseudo-potential and including
> spin-orbit coupling.
>
>   executables directory: /home/eeitan/QE/espresso-5.0.2/bin
>   pseudo directory:      /home/eeitan/QE/espresso-5.0.2/pseudo
>   temporary directory:   /home/eeitan/tmp
>
>   checking that needed directories and files exist... done
>
>   running pw.x as:   /home/eeitan/QE/espresso-5.0.2/bin/pw.x  -nband 1
> -ntg 1
>   running ph.x as:   /home/eeitan/QE/espresso-5.0.2/bin/ph.x  -nband 1
> -ntg 1
>
>   cleaning /home/eeitan/tmp... done
>   running the scf calculation for Pt with spin-orbit
> coupling.../home/eeitan/QE/espresso-5.0.2/bin/pw.x: symbol lookup error:
> /opt/intel/l_ics_2013.0.028/mkl/lib/inte
> l64/libmkl_intel_thread.so: undefined symbol: __kmpc_master
> Error condition encountered during test: exit status = 127
> Aborting
>
> /home/eeitan/QE/espresso-5.0.2/PHonon/examples/example07 : starting
>
> This example tests pw.x and ph.x in several cases that require
> the noncollinear or the spin-orbit part of the code together
> with the gga.
> ph.x is used to calculate the phonons at X and Gamma of fcc-Pt with gga,
> and to calculate the phonons at X and Gamma of fcc-Ni to test
> the magnetic case with gga with or without spin-orbit
>
>   executables directory: /home/eeitan/QE/espresso-5.0.2/bin
>   pseudo directory:      /home/eeitan/QE/espresso-5.0.2/pseudo
>   temporary directory:   /home/eeitan/tmp
>
>   checking that needed directories and files exist... done
>
>   running pw.x as:   /home/eeitan/QE/espresso-5.0.2/bin/pw.x  -nband 1
> -ntg 1
>   running ph.x as:   /home/eeitan/QE/espresso-5.0.2/bin/ph.x  -nband 1
> -ntg 1
>
>   cleaning /home/eeitan/tmp... done
>   running scf pw.x for Pt with gga-pbe and spin-orbit
> coupling.../home/eeitan/QE/espresso-5.0.2/bin/pw.x: symbol lookup error:
> /opt/intel/l_ics_2013.0.028/mkl/lib/int
> el64/libmkl_intel_thread.so: undefined symbol: __kmpc_master
> Error condition encountered during test: exit status = 127
> Aborting
> /home/eeitan/QE/espresso-5.0.2/PHonon/examples/example11 : starting
>
> This example calculates the phonon modes of relativistic Au
> at the gamma and X points with PAW in the noncollinear and
> spin-orbit case.
>
>
>   executables directory: /home/eeitan/QE/espresso-5.0.2/bin
>   pseudo directory:      /home/eeitan/QE/espresso-5.0.2/pseudo
>   temporary directory:   /home/eeitan/tmp
>   checking that needed directories and files exist... done
>
>   running pw.x     as:   /home/eeitan/QE/espresso-5.0.2/bin/pw.x  -nband 1
> -ntg 1
>   running ph.x     as:   /home/eeitan/QE/espresso-5.0.2/bin/ph.x  -nband 1
> -ntg 1
>
>   cleaning /home/eeitan/tmp... done
>   running the scf calculation for Au with PAW and spin-orbit... done
>   running ph.x for Au at Gamma with PAW and spin-orbit... done
>   running ph.x for Au at X with PAW and
> spin-orbit.../home/eeitan/QE/espresso-5.0.2/bin/ph.x: symbol lookup error:
> /opt/intel/l_ics_2013.0.028/mkl/lib/intel64/libmkl_
> intel_thread.so: undefined symbol: __kmpc_master
> Error condition encountered during test: exit status = 127
> Aborting
>
> thanks in addvance,
> Uri (Ben Gurion Univ. Israel).
>
>
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