Dear Joaquim, I suggest you do some tests using -ntg parallelization level also ( http://www.quantum-espresso.org/user_guide/node18.html).
For example: /opt/openmpi/bin/mpirun -np 64 /opt/espresso-4.1.2/bin/pw.x -npool 8 -ntg 8 < input.in I got a good performance using -ntg parallelization level Bests, Andre On Sat, Aug 28, 2010 at 11:10 AM, joaquin peralta <jperaltac at gmail.com>wrote: > Dear Andr? > > I'm embarrassed, it was always my mistake. I have scripts that > generate these pbs and the option was always bad allocated for > openmpi. I was using -np instead of -npool. > > I will try again, in order to check the performance > > Thank you so much > > Joaquin > > On Sat, Aug 28, 2010 at 8:42 AM, Andre Martinotto > <almartinotto at gmail.com> wrote: > > 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, > > Andr? 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 > >> ---------------------------------------------------- > >> Joaqu?n Andr?s Peralta Camposano > >> ---------------------------------------------------- > >> http://www.lpmd.cl/jperalta > >> > >> In a world without frontiers, > >> who needs Gates and Win. > >> _______________________________________________ > >> Pw_forum mailing list > >> Pw_forum at pwscf.org > >> http://www.democritos.it/mailman/listinfo/pw_forum > > > > > > _______________________________________________ > > Pw_forum mailing list > > Pw_forum at pwscf.org > > http://www.democritos.it/mailman/listinfo/pw_forum > > > > > > > > -- > ---------------------------------------------------- > Group of NanoMaterials > ---------------------------------------------------- > http://www.gnm.cl > ---------------------------------------------------- > Joaqu?n Andr?s Peralta Camposano > ---------------------------------------------------- > http://www.lpmd.cl/jperalta > > In a world without frontiers, > who needs Gates and Win. > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20100828/6b8f187d/attachment.htm