[Pw_forum] Compilation with intel compiler and MKL.

[Paolo Giannozzi]

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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>
>
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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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