[Pw_forum] The -np option and openmpi.

joaquin peralta jperaltac at gmail.com
Sat Aug 28 08:05:36 CEST 2010

Dear Forum

I compiled a couple of days ago, openmpi 1.4 and quantum espresso,
however when I sent the job to the queue system. The nodes show that
the command was executed with the "-np 8" option, but the output not :

     Parallel version (MPI), running on    64 processors
     R & G space division:  proc/pool =   64

and with openMPI show me different status :

   Parallel version (MPI), running on   64 processors
   K-points division:     npool     =    8
   R & G space division:  proc/pool =   8

I'm a little bit confused, I don't understand what I did bad in the
compilation procedure of openmpi1.4 or espresso.

OpenMPI Settings

./configure --prefix=/local/openmpi --disable-dlopen
--enable-mpirun-prefix-by-default --enable-static --enable-mpi-threads
--with-valgrind --without-slurm --with-tm --without-xgrid
--without-loadleveler --without-elan --without-gm --without-mx
--with-udapl --without-psm CC=icc CXX=icpc F77=ifort FC=ifort

And the quantum espresso setting in the compilation are located here :


Really every help I appreciate a lot, because the difference in time
calculations, is huge using the -np for my cases.

Joaquin Peralta
Materials Science and Engineering
Iowa State University

Group of NanoMaterials
Joaquín Andrés Peralta Camposano

In a world without frontiers,
who needs Gates and Win.

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