[Pw_forum] Compilation with intel compiler and MKL.

[Paolo Giannozzi]

Since you are not reading from xml, try to set attr=' ' before that call,
or to comment out the call. The only reason I can think of (that doesn't
imply a compiler/library/mpi weirdness) is that attr may not be set to
anything if reading from a text file, and sometimes code get confused if a
non-initialized variable is broadcast

Paolo

On Tue, Feb 2, 2016 at 6:07 PM, joaquin peralta <jperaltac at gmail.com> wrote:

> 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
>>>>
>>>>
>>>>
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>>>> 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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>
>
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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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