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 <[email protected]> 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 > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum
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