[Pw_forum] Build QE for Intel Phi native run

[Filippo Spiga]

Dear Hideaki,
 ,
Fabio Affinito can advise for the Intel Phi part however I do suggest to run configure in this way:

./configure --enable-openmp --enable-parallel --with-scalapack=intel

and only after edit the make.sys to eventually modify the libraries patch and names. The configure should be able to pickup MKL and ScaLAPACK if the environment is set correctly.

The problem you see is additional to the one I noticed while ago with the latest 15.x Intel compiler. If you can systematically reproduce this compiler seg fault then it is worth to file a bug report to Intel. It mention a core file... do you have one in the PW/src directory?

F

On Jan 23, 2015, at 3:59 PM, Hideaki Kuraishi <Hideaki.Kuraishi at uk.fujitsu.com> wrote:
> Hello,
> 
> I have been trying to build QE 5.0.2 with Intel Compiler 15.0.0 and Intel MPI 5.0 to run in native mode. However, though configure is fine, it fails at make phase with segmentation fault error as follows.
> 
> --------------------------------------
>            :
> mpiifort -openmp -o bands_FS.x bands_FS.o -L$MKLROOT/lib/mic -lmkl_scalapack_lp64 -lmkl_blacs_intelmpi_lp64 -liopm5 $MKLROOT/lib/mic/libmkl_lapack95_lp64.a -liomp5 $HOME/mkl/lib/libfftw3xf_intel.a -L$MKLROOT/lib/mic -lmkl_intel_lp64 -liomp5
> 
> /opt/intel/impi/5.0.0.028/intel64/bin/mpiifort: line 729:  5630 Segmentation fault      (core dumped) $Show $FC $FCFLAGS "${allargs[@]}" $FCMODDIRS $FCINCDIRS -L${libdir}${MPILIBDIR} -L$libdir $rpath_opt $mpilibs $I_MPI_OTHERLIBS $LDFLAGS $MPI_OTHERLIBS
> 
> ( cd ../../bin ; ln -fs ../PW/tools/bands_FS.x . )
> 
> mpiifort -openmp -o kvecs_FS.x kvecs_FS.o -L$MKLROOT/lib/mic -lmkl_scalapack_lp64 -lmkl_blacs_intelmpi_lp64 -liopm5 $MKLROOT/lib/mic/libmkl_lapack95_lp64.a -liomp5 $HOME/mkl/lib/libfftw3xf_intel.a -L$MKLROOT/lib/mic -lmkl_intel_lp64 -liomp5
> 
> /opt/intel/impi/5.0.0.028/intel64/bin/mpiifort: line 729:  5656 Segmentation fault      (core dumped) $Show $FC $FCFLAGS "${allargs[@]}" $FCMODDIRS $FCINCDIRS -L${libdir}${MPILIBDIR} -L$libdir $rpath_opt $mpilibs $I_MPI_OTHERLIBS $LDFLAGS $MPI_OTHERLIBS
> 
> ( cd ../../bin ; ln -fs ../PW/tools/kvecs_FS.x . )
>            : 
> --------------------------------------
> 
> If someone has experienced the same error, could you please share the information on how to solve this?
> 
> My procedure is...
> 
> (1) Configure
> export CC=mpicc
> export FC=mpiifort
> export F90=$FC
> export MPIF90=$FC
> export AR="xiar"
> export CFLAGS="-mmic -openmp"
> export FFLAGS=$CFLAGS
> export FCFLAGS=$CFLAGS
> export BLAS_LIBS="-L$MKLROOT/lib/mic -lmkl_intel_lp64 -liomp5" 
> export LAPACK_LIBS="$MKLROOT/lib/mic/libmkl_lapack95_lp64.a -liomp5" 
> export SCALAPACK_LIBS="-L$MKLROOT/lib/mic -lmkl_scalapack_lp64 -lmkl_blacs_intelmpi_lp64 -liopm5"
> 
> $ ./configure --enable-openmp --enable-parallel
> 
> (2) Build
> $ make pw 2>&1 | tee LOG.make
> 
> Best regards
> Kai
> 
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--
Mr. Filippo SPIGA, M.Sc.
http://filippospiga.info ~ skype: filippo.spiga

«Nobody will drive us out of Cantor's paradise.» ~ David Hilbert

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