[Pw_forum] problem in MPI running of QE (16 processors)

[Huiqun Zhou]

How did you apply number of node, procs per node in your job
script?

#PBS -l nodes=?:ppn=?

zhou huiqun
@earth sciences, nanjing university, china

  ----- Original Message ----- 
  From: Alexander G. Kvashnin 
  To: PWSCF Forum 
  Sent: Saturday, March 05, 2011 2:53 AM
  Subject: Re: [Pw_forum] problem in MPI running of QE (16 processors)


  I create PBS task on supercomputer MIPT-60 where I write 



  mpiexec ../../espresso-4.2.1/bin/pw.x -in graph.inp > output.opt


  all other types of this line such as 


  mpiexec -np 16 ../../espresso-4.2.1/bin/pw.x -in graph.inp > output.opt



  doesn't work.
  Maybe this number of processor too small for parallel calculation to QE? 






  On 4 March 2011 21:37, Eyvaz Isaev <eyvaz_isaev at yahoo.com> wrote:

    Dear  Alexander,

    How do you run a job? You should launch a command like (some parameters are omitted) 
    mpirun -np 16 -maxtime 30 ./pw.x < scf.in >scf.out

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    Best regards,

     Eyvaz.
    -------------------------------------------------------------------
    Prof. Eyvaz Isaev, 
    Department of Physics, Chemistry, and Biology (IFM), Linkoping University, Sweden 
    Theoretical Physics Department, Moscow State Institute of Steel & Alloys, Russia, 
    isaev at ifm.liu.se, eyvaz_isaev at yahoo.com





----------------------------------------------------------------------------
    From: Alexander G. Kvashnin <agkvashnin at gmail.com>
    To: pw_forum at pwscf.org
    Sent: Fri, March 4, 2011 9:07:46 PM
    Subject: [Pw_forum] problem in MPI running of QE (16 processors)



    Hello,



    I have some problem when I ran parallel version of QE (16 procs), I saw next line in output file



    Parallel version (MPI), running on 1 processors


    And it works using only 1 processor, but there is MPI version.
    Help me please in my problem
    Thank you!
    -- 

    Sincerely yours
    Alexander G. Kvashnin





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  -- 

  Sincerely yours
  Alexander G. Kvashnin




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