[Octopus-notify] [Octopus] #37: Unconsistent and radom SCF convergency

[Octopus]

#37: Unconsistent and radom SCF convergency
---------------------------+------------------------------------------------
  Reporter:  xavier        |       Owner:  anonymous           
      Type:  defect        |      Status:  new                 
  Priority:  critical      |   Milestone:                      
 Component:  octopus-core  |     Version:  trunk               
Resolution:                |    Keywords:  ifort, gfortran, scf
---------------------------+------------------------------------------------
Comment (by xavier):

 I did the same test using ifort without optimizations, and in this case it
 always took 33 iterations to converge. So this seems to be a compiler bug.

 The flags i used were:

 FCFLAGS="-check bounds -mp -zero -u -fpp1 -nbs -pc80 -pad -align -nounroll
 -O0 \
 -vec-report0 -warn all"

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Ticket URL: <http://www.tddft.org/trac/octopus/ticket/37>
Octopus <http://tddft.org/programs/octopus/>
A TDDFT solver