[Pw_forum] Build QE for Intel Phi native run

Filippo Spiga spiga.filippo at gmail.com
Fri Feb 6 17:31:01 CET 2015 

Dear Hideaki,

can you share information about compiler versions, flags, changes in the make.sys so we can add in the regular distribution instructions how to get up&running on Intel Phi? We will acknowledge you for the help :-)

Thanks in advance.

Regards,
Filippo

On Feb 6, 2015, at 8:18 AM, Hideaki Kuraishi <Hideaki.Kuraishi at uk.fujitsu.com> wrote:
> Hi Filippo,
> 
> Thanks to the comment below,
> I now able to compile and run the code.
> Thanks a lot for the advice!
> 
> Best regards
> Kai
> 
>> -----Original Message-----
>> From: pw_forum-bounces at pwscf.org [mailto:pw_forum-bounces at pwscf.org]
>> On Behalf Of Filippo Spiga
>> Sent: Friday, February 06, 2015 4:03 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,
>> 
>> please keep us posted if you succeed to run or not so we can internally
>> track the problem and notify future users if a bug exist.
>> 
>> Thanks,
>> Filippo
>> 
>> On Jan 26, 2015, at 8:16 AM, Hideaki Kuraishi
>> <Hideaki.Kuraishi at uk.fujitsu.com> wrote:
>>> 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> 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
>>> 
>>> *****
>>> Disclaimer: "Please note this message and any attachments are
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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)
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>>> 
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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
>> 
>> *****
>> Disclaimer: "Please note this message and any attachments are
>> CONFIDENTIAL and may be privileged or otherwise protected from disclosure.
>> The contents are not to be disclosed to anyone other than the addressee.
>> Unauthorized recipients are requested to preserve this confidentiality
>> and to advise the sender immediately of any error in transmission."
>> 
>> 
>> 
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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.
> 
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum

--
Mr. Filippo SPIGA, M.Sc.
http://filippospiga.info ~ skype: filippo.spiga

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

*****
Disclaimer: "Please note this message and any attachments are CONFIDENTIAL and may be privileged or otherwise protected from disclosure. The contents are not to be disclosed to anyone other than the addressee. Unauthorized recipients are requested to preserve this confidentiality and to advise the sender immediately of any error in transmission."

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