[Pw_forum] Error in running GWW

Adrian nicy04 at gmail.com
Mon Mar 1 04:09:33 CET 2010


  Thank you so much, Lorenzo. And sorry for this late reply.
   The content of si8_ph_head.out is below:

     Program PHONON v.4.2CVS    starts on 22Feb2010 at 19:41: 1

     This program is part of the open-source Quantum ESPRESSO suite
     for quantum simulation of materials; please acknowledge
         "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/wiki/index.php/Citing_Quantum-ESPRESSO

     Parallel version (MPI), running on     1 processors

     Ultrasoft (Vanderbilt) Pseudopotentials

     Planes per process (thick) : nr3 =  30 npp =   30 ncplane =   900

     Proc/  planes cols     G    planes cols    G      columns  G
     Pool       (dense grid)       (smooth grid)      (wavefct grid)
        1    30    593    11067   30    593    11067    177     1839


 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from ph_setup : error #         1
     problem with modes file
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...

As you can see, the error is from ph_setup, just like what Layla said.
 Maybe I should wait for the updated package.

 Thank you again.

Best
Adrian






On Wed, Feb 24, 2010 at 3:01 AM, Lorenzo Paulatto <paulatto at sissa.it> wrote:
> On Wed, 24 Feb 2010 05:38:01 +0100, Adrian <nicy04 at gmail.com> wrote:
>>   I noticed MPI didn't work in output files but I didn't know why.
>>    Since when I tried espresso-4.1.2, MPI worked well (I can use 4
>> processors).
>>   But for CVS version, MPI didn't work and only one processor was
>> running.
>
> Dear Adrian,
> I don't think it is an MPi problem. It is more likely that the head
> calculation (head.x) crashes for some reason while MPI is just reporting
> the crash. Please have a look at file si8_ph_head.out in the HEAD/
> subdirectory of the example. By "have a look" I mean: open the file with a
> text editor, and possibly send a copy to this mailing list.
>
> best regards
>
> --
> Lorenzo Paulatto
>
> *** Note: my affiliation has changed! please send future
> correspondence to: <Lorenzo.Paulatto at impmc.upmc.fr> ***
>
> post-doc @ IMPMC/UPMC - Université Paris 6
> phone: +33 (0)1 44 27 74 89
> www:   http://www-int.impmc.upmc.fr/~paulatto/
>
> previously:
> phd student @ SISSA  &  DEMOCRITOS (Trieste)
> phone: +39 040 3787 511
> www:   http://people.sissa.it/~paulatto/
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