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). -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20130102/5991b247/attachment.html
