[Q-e-developers] [Pw_forum] Build QE for Intel Phi native run

[Hideaki Kuraishi]

Dear Filippo, Fabio

Thank you for the comment.
Yes, core file is generated and will analyze this.

So far I have tried your suggestions but situation didn’t change and the same error
occurred. Even when I used older versions of Intel compiler, v13 and 14,
the error was reproduced. I will try this on more using another system this week.

Best regards
Kai


From: pw_forum-bounces at pwscf.org [mailto:pw_forum-bounces at pwscf.org] On Behalf Of Filippo Spiga
Sent: Sunday, January 25, 2015 11:07 PM
To: PWSCF Forum
Cc: <q-e-developers at qe-forge.org>
Subject: Re: [Pw_forum] Build QE for Intel Phi native run

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<mailto: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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______________________________________________________________________
                                        
 Fujitsu Laboratories of Europe Limited
 Hayes Park Central, Hayes End Road, Hayes, Middlesex, UB4 8FE
 Registered No. 4153469
 
 This e-mail and any attachments are for the sole use of addressee(s) and
 may contain information which is privileged and confidential. Unauthorised
 use or copying for disclosure is strictly prohibited. The fact that this
 e-mail has been scanned by Trendmicro Interscan does not guarantee that 
 it has not been intercepted or amended nor that it is virus-free.
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