[Pw_forum] Compilation with intel compiler and MKL.

[joaquin peralta]

Dear Paolo,

Thank you very much for your promptly response. I found the line where the
code freezes.

CALL mp_bcast( attr, ionode_id, intra_image_comm )

However I can't figured out what could be the reason, or how to avoid the
hung.

Do you have any additional suggestion?

Thanks in advance,
Joaquin Peralta
Assitant Professor,
Faculty of Physics,
Exact Science Department,
Universidad Andres Bello,
Santaigo, Chile.


On Tue, Feb 2, 2016 at 1:23 PM Paolo Giannozzi <p.giannozzi at gmail.com>
wrote:

> Go to Modules/read_input.f90, where routine "open_input_file" is called
> (should be line 50), and follow what happens later and where the code
> freezes. Just add some prints: there are smarter ways to figure out where a
> code is hung, but I don't remember how to do it. Once you find the exact
> line where it freezes, either you easily find why, or, if there is no
> obvious reason, it is likely a problem of your compiler/ libraries  / mpi.
>
> Paolo
>
>
> On Tue, Feb 2, 2016 at 4:40 PM, joaquin peralta <jperaltac at gmail.com>
> wrote:
>
>> Dear Youssef,
>>
>> I did the compilation as you indicated, however my QE-run frozen with
>> more than one CPU. I have the intel parallel studio 2016 and the impi 5.1.
>> After compile I did :
>>
>> mpirun -np 1 /path/to/pw.x -input scf.in     <-This run perfectly
>>
>> However :
>>
>> mpirun -np 2 /path/to/pw,x -input scf.in      <- Doesn't work!!!, It
>> frozen in "Reading input from scf.in"
>>
>> Do you have any suggestion or hint about what could be the reason because
>> is not working?
>>
>> I have all the exports from intel-suite in my bashrc :
>> source /opt/intel/bin/compilervars.sh intel64
>> source /opt/intel/mkl/bin/mklvars.sh intel64
>> source /opt/intel/impi/5.1.2.150/bin64/mpivars.sh
>>
>> And I also set my stack size to unlimited in the kernel settings.
>>
>> Is there a code issue? Or is the intel mpi?
>>
>> Thanks in advance,
>> Joaquin Peralta
>> Assitant Professor,
>> Faculty of Physics,
>> Exact Science Department,
>> Universidad Andres Bello,
>> Santaigo, Chile.
>>
>>
>> On Tue, Feb 2, 2016 at 9:57 AM Youssef <aharbil at gmail.com> wrote:
>>
>>> Dear
>>>
>>>
>>>
>>> *Yeonung, I used to compile qe-5.30 with intel parallel studio 2016,
>>> using this statements: *
>>>
>>>
>>>
>>>
>>>
>>>
>>>
>>>
>>>
>>>
>>>
>>>
>>> *export FC=mpiifort export F90=mpiifort export F77=mpiifort export
>>> MPIF90=mpiifort export CC=mpiicc export CPP="icc -E" export CFLAGS=$FCFLAGS
>>> export AR=xiar export BLAS_LIBS="" export
>>> LAPACK_LIBS="-lmkl_blacs_intelmpi_lp64" export
>>> SCALAPACK_LIBS="-lmkl_scalapack_lp64 -lmkl_blacs_intelmpi_lp64" export
>>> FFT_LIBS="-L$MKLROOT/intel64" ./configure  --enable-parallel *
>>> you can save it as a bash script, an run it inside qe folder.
>>>
>>> Of course  make sure that the intel parallel studio wrapper is in your
>>> path (e.g. :  source /opt/intel/bin/compilervars.sh intel64 ), this  invoke
>>> all the needed environmental variables.
>>>
>>> Youssef Aharbil,
>>>
>>> Laboratory of Physics and Chemistry of Materials
>>>
>>> Faculty of sciences Ben msik, Casablanca
>>>
>>> Morocco
>>>
>>>
>>>
>>> _______________________________________________
>>> Pw_forum mailing list
>>> Pw_forum at pwscf.org
>>> http://pwscf.org/mailman/listinfo/pw_forum
>>
>>
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>
>
>
> --
> Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
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