Thank you for reporting this. You are right it is a bug that might appear when lkpoint_dir=.false..
I have corrected the svn version. Andrea On Fri, 2012-07-27 at 19:35 +0200, Iurii TIMROV wrote: > Dear QE developers, > > It seems there is a bug in the subroutine PW/pw_readfile. It shows up when > a phonon calculation is restarted. I checked QE v.5.0.1, the bug hasn't > been fixed. It is related to the unit "iunout". In the beginning of the > pw_readfile, there is a look for an empty unit: > > CALL iotk_free_unit( iunout, ierr ) > > Afterwards, in the subroutine "read_band_structure" the unit "iunout" is > used. But the problem is that in "read_band_structure" the unit "iunout" > is declared second time: > > INTEGER :: iunout > > Thus, "iunout" is a random number, which sometimes may be negative, and > therefore the data file cannot be read. Due to this, the code escapes from > this routine (return), the data file is not read, and the code crashes > somewhere else. It is strange to me, why the code escapes (return > statement) instead of giving an error message (it takes time to find such > bugs due to this). > > The solution of the problem is simple: just to remove "INTEGER :: iunout". > > If this is not a bug, please explain me why. But in my case the code > doesn't work with this. > > Best, > Iurii > > > Iurii TIMROV > Doctorant (PhD student) > Laboratoire des Solides Irradies > Ecole Polytechnique > F-91128 Palaiseau > +33 1 69 33 45 08 > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum
