[Pw_forum] Error in example03 (electron-phonon interaction)

Paolo Giannozzi paolo.giannozzi at uniud.it
Thu Jul 24 13:13:46 CEST 2014


It's a bug (due to a last-minute change) in a format. Depending upon
the compiler, sometimes the code prints stars and continues, sometimes
it stops. Quick fix: in ef_shift.f90, define def(3) as complex. 
More here:
http://www.qe-forge.org/gf/project/q-e/scmsvn/?action=browse&path=%
2F&view=rev&sortby=rev&sortdir=down&revision=11040

P.

On Thu, 2014-07-24 at 13:48 +0400, Alexander G. Kvashnin wrote:
> Dear QE users,
> 
> 
> I am interesting in calculations of electron-phonon interaction. Today
> I tried to make test calculations using example03 (QE-5.1). First two
> steps done succesfully, but third step when the calculation with ph.x
> executable should be made refused to work. I found the following error
> message:
> 
> 
> At line 104 of file ef_shift.f90 (unit = 6, file = 'stdout')
> Fortran runtime error: Expected REAL for item 4 in formatted transfer,
> got INTEGER
> (5x,"Pert. #",i3,": Fermi energy shift (Ry) =", 2es15.4)
>                                                   ^
> At line 104 of file ef_shift.f90 (unit = 6, file = '/dev/null')
> Fortran runtime error: Expected REAL for item 4 in formatted transfer,
> got INTEGER
> (5x,"Pert. #",i3,": Fermi energy shift (Ry) =", 2es15.4)
>                                                   ^
> At line 104 of file ef_shift.f90 (unit = 6, file = '/dev/null')
> Fortran runtime error: Expected REAL for item 4 in formatted transfer,
> got INTEGER
> (5x,"Pert. #",i3,": Fermi energy shift (Ry) =", 2es15.4)
>                                                   ^
> At line 104 of file ef_shift.f90 (unit = 6, file = '/dev/null')
> Fortran runtime error: Expected REAL for item 4 in formatted transfer,
> got INTEGER
> (5x,"Pert. #",i3,": Fermi energy shift (Ry) =", 2es15.4)
>                                                   ^
> Could you tell me please what does it mean? I guess that this is not
> relates with input file. Maybe something happen during the compilation
> process? 
> 
> 
> I used Intel compilers with MKL libraries.
> 
> 
> Thank you in advance!
> 
> 
> -- 
> Sincerely yours,
> 
> Alexander G. Kvashnin 
> 
> =====================================================
> PhD Student 
> Moscow Institute of Physics and
> Technology          http://mipt.ru/
> 141700, Institutsky lane 9,
> Dolgoprudny, Moscow Region, Russia
> 
> 
> Junior research scientist
> Technological Institute for
> Superhard 
> and Novel Carbon Materials
> 
>  http://www.tisnum.ru/
> 142190, Central'naya St. 7a,
> Troitsk, Moscow Region, Russia
> =====================================================
> 
> 
> 
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-- 
 Paolo Giannozzi, Dept. Chemistry&Physics&Environment, 
 Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
 Phone +39-0432-558216, fax +39-0432-558222 




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