[Pw_forum] The -np option and openmpi.

[Andre Martinotto]

Dear Joaquin,

In principle the process of compilation appears to be correct.

What is your execution command? You are using a -npool 8?  The number of
process (-np ) is equal to 64 in both cases, but in the second case I
believe that you are using a -npool 8.

For example, something like:
/opt/openmpi/bin/mpirun -np 64 /opt/espresso-4.1.2/bin/pw.x -npool 8 <
entrada.in


Best regards,
André Luis Martinotto

Andre Martinotto
Email: almartinotto at gmail.com
Computing Department
Universidade de Caxias do Sul
Caxias do Sul - RS, Brazil

On Sat, Aug 28, 2010 at 3:05 AM, joaquin peralta <jperaltac at gmail.com>wrote:

> 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 :
>
> http://www.lpmd.cl/jperalta/uploads/Site/make-ompi.sys
>
> 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
> ----------------------------------------------------
> http://www.gnm.cl
> ----------------------------------------------------
> Joaquín Andrés Peralta Camposano
> ----------------------------------------------------
> http://www.lpmd.cl/jperalta
>
> In a world without frontiers,
> who needs Gates and Win.
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