[Pw_forum] Compilation with intel compiler and MKL.

[joaquin peralta]

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: *
>
>
>
>
>
>
>
>
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> *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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