[Pw_forum] installing QE

vicky singh kirtinandan07 at gmail.com
Sun May 29 08:53:20 CEST 2011

Dear PWSCF users

Thanks for advising to install mpich. I installed mpich2 in my machine and
the i ran the espresso-4.3_examples. Many programme were succesfully done
but may came out with error.

Foe eg.
/home/Software/espresso-4.3_examples/examples/example14 : starting

This example shows how to use pw.x, ph.x and d3.x to calculate the
third-order expansion coefficients of the total energy of Si.

  executables directory: /home/Software/espresso-4.3/bin
  pseudo directory:      /home/Software/pseudo
  temporary directory:   ./tmp
  checking that needed directories and files exist... done

  running pw.x as: mpirun -np 4  /home/Software/espresso-4.3/bin/pw.x
  running ph.x as: mpirun -np 4  /home/Software/espresso-4.3/bin/ph.x
  running d3.x as: mpirun -np 4  /home/Software/espresso-4.3/bin/d3.x

  cleaning ./tmp... done
  running the scf calculation for Si... done
  running the phonon calculation for Si at Gamma...application called
MPI_Abort(MPI_COMM_WORLD, 0) - process 1
application called MPI_Abort(MPI_COMM_WORLD, 0) - process 3
application called MPI_Abort(MPI_COMM_WORLD, 0) - process 0
Error condition encountered during test: exit status = 15

many eg (15,18, ..) showed the same error. what can be the possible error.

thanks in advance

Vicky singh

2011/5/26 GAO Zhe <flux_ray12 at 163.com>

> Installing OpenMPI or MPICH2 firstly, then you can compile parrallel
> version PWscf.
> When you run it with multi-cores, using mpirun -n $CoreNum pw.x -npool
> $PoolNum
> At 2011-05-25 12:55:10,"vicky singh" <kirtinandan07 at gmail.com> wrote:
> Hi
> I have recently  got a new system with i5 processor. Since it has 4
> processor how can i install QE such that i can run parallel processing.
> Documentation says just to use ./configure and make to be done for
> compiling. will these command when run will consider the system
> configuration and install parallel version.
> Thanks for suggestion in advance.
> Vicky singh
> research student
> Bangalore
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> Pw_forum mailing list
> Pw_forum at pwscf.org
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> D
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