Thank you Sir for the guidance. Yes, there was a problem with MPI configuration. I reinstalled MPICH2 through administrator account and added username, password. Now it is working well and using all cores. I definitely agree with you regarding congestion due to hyperthreading. Could you tell, for which kinds of calculations, will the HT be useful then? I will ensure not to overuse it then.
Regards, On 15-Jan-2016 8:41 pm, "Axel Kohlmeyer" <[email protected]> wrote: > On Fri, Jan 15, 2016 at 4:33 AM, siddheshwar chopra <[email protected]> > wrote: > > For more information, I installed 5.2.1 setup for windows. And got the > > following error: > > > > Error while connecting to host, No connection could be made because the > > target machine actively refused it. (10061) > > Connect on sock (host=Matrix, port=8678) failed, exhaused all end points > > Unable to connect to 'Matrix:8678', > > sock error: Error = -1 > > this is a problem of your MPI configuration, or rather your firewall > blocking MPI message passing to remote machines. this needs to be > properly configured and you need to follow the MPI installation and > configuration instructions specific to the MPI package that you > installed. > have you followed the instructions given here? > http://rpm.lammps.org/qe4win.html > > since you are running on your local machine only, try: mpiexec > -localonly 2 pw.x -in si.inp > si.out > > also, it is *very* unlikely that you'll get any speedup from > hyperthreading, more likely the added processes will cause congestion > on the memory bus and slow you down. > > axel. > > > > > > > I was running QE using the following command: > > > > mpiexec -np 4 pw.x <PATH/si.inp> <si.out> > > > > Please help. > > > > Regards, > > > > On Fri, Jan 15, 2016 at 1:23 PM, siddheshwar chopra <[email protected]> > > wrote: > >> > >> Dear Users, > >> I want to use the Windows version of Quantum Espresso. I have a 2 core > (4 > >> threads) system. How can I run program using all 4 threads? It doesn't > work > >> with qcenv_p.bat. What are the priminary packages needed for parallel > >> execution? > >> > >> Regards, > >> > >> -- > >> Dr. Siddheshwar chopra, > >> M.Sc., Ph.D (Physics) > >> Assistant Professor (Physics), > >> Amity University, Noida, India. > >> > > > > > > > > -- > > Dr. Siddheshwar chopra, > > M.Sc., Ph.D (Physics) > > Assistant Professor (Physics), > > Amity University, Noida, India. > > > > > > _______________________________________________ > > Pw_forum mailing list > > [email protected] > > http://pwscf.org/mailman/listinfo/pw_forum > > > > -- > Dr. Axel Kohlmeyer [email protected] http://goo.gl/1wk0 > College of Science & Technology, Temple University, Philadelphia PA, USA > International Centre for Theoretical Physics, Trieste. Italy. > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum >
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