[Pw_forum] pwscf version 4.3 example 15 error

xu yuehua njuxuyuehua at gmail.com
Sat Jun 18 13:21:49 CEST 2011


Yes , it is error, i looked into the results/ and found in the alas.ph.out :
the error is labled red, I am puzzled what is the problem. thank you a lot

  Program PHONON v.4.3       starts on 18Jun2011 at 17:13:43

     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/wiki/index.php/Citing_Quantum-ESPRESSO

     Parallel version (MPI), running on     1 processors

     Ultrasoft (Vanderbilt) Pseudopotentials

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1s, nr2s, nr3s values from input

   Stick Mesh
   ----------
   nst =   151,  nstw =    61, nsts =   151
               n.st   n.stw   n.sts    n.g    n.gw   n.gs
   min         151      61     151    1243     307    1243
   max         151      61     151    1243     307    1243
        151      61     151    1243     307    1243


     Calculation of q =    0.0000000   0.0000000   0.0000000

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from io_pattern : error #         1
     wrong iflag
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...


2011/6/18 Paolo Giannozzi <giannozz at democritos.it>

>
> On Jun 18, 2011, at 11:29 , xu yuehua wrote:
>
> > i run the example 14 [...]the error information :
> >
> > /home/yxu/espresso-4.3/espresso-4.3/examples/example15
>
> 14 /= 15
>
> >   running the response calculation...[unset]: aborting job:
> > application called MPI_Abort(MPI_COMM_WORLD, 0) - process 0
>
> this is NOT the error message from the code. Look into results/
> for the output from the response calculation
>
> P.
> ---
> Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
>
>
>
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>



-- 
Yuehua Xu
Group of Computational Condensed Matter Physics,
National Laboratory of Solid State Microstructures and Department of
Physics,
Nanjing University,
 Nanjing 210093,
 P. R. China
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