[Pw_forum] Problem with parallel phonon calculation using image method

[David Miller]

Hello,


I am trying to perform phonon calculation using image method of parallelization.  So, the following is what I do:

(i) SCF calculation for 5-atom tetragonal PbTiO3 system. First, I relaxed the system, performed a SCF calculation using 64 processors. 


Next, I performed Phonon (at Gamma) calculation using the following input:

Phonons of PVDF-beta
 &inputph
  amass(1) = 207.21
  amass(2) = 47.867
  amass(3) = 15.9994
  outdir = '.'
  prefix = 'pto'
  tr2_ph = 1e-18
  fildyn = 'pto.dyn'
  epsil = .true.
  trans = .true.
 /
 0.0 0.0 0.0

and running it as aprun -N 8 -n 128 ./ph.x -npool 4 < ph.in > ph.out

The above completed successfully and I have ph.out and pto.dyn files.

Next, I tried the image method with the same file as above but with the following command:

aprun -N 8 -n 640 ./ph.x -nimage 10 -npool 4 < ph.in > ph.out


10 images because it has 10 irreducible represetations at Gamma point. The INPUT_PH.txt in 4.3.2 version reads the following:

***************************
   On parallel machines the q point and the irreps calculations can be split
   automatically. The procedure is the following:

   1) run pw.x with nproc processors and npools pools.
   2) run ph.x with nproc*nimage processors, npools pools and nimage images.
   3) run ph.x with the same input and recover=.true. on nproc processors
      and npools pools and only one image.

   During the first ph.x run the phonon code split the total amount of
   work into nimage copies. Each image runs with different q and/or
   representations.  The second run of ph.x is the final run that
   collects all the data calculated by the images and writes the files
   with the dynamical matrices.
*****************************

However, all I get in the ph.out is the following:
    
****************************************
     Program PHONON v.5.0       starts on 10Aug2012 at 22: 0:37

     This program is part of the open-source Quantum ESPRESSO suite
     for quantum simulation of materials; please cite
         "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
          URL http://www.quantum-espresso.org",
     in publications or presentations arising from this work. More details at
     http://www.quantum-espresso.org/quote.php

     Parallel version (MPI), running on   640 processors
     path-images division:  nimage    =   10
     K-points division:     npool     =    4
     R & G space division:  proc/pool =   16

     Ultrasoft (Vanderbilt) Pseudopotentials
Application 16682117 exit codes: 143
Application 16682117 resources: utime 0, stime 0
********************************************

Several files are generated 

directories _ph0 through _ph9 are empty and files out.1_0 through out.9_0 are all empty. 

I wonder what am I doing wrong ?

Thanks,

David
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