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

Octopus octopus-notify at tddft.org
Mon Jul 3 12:08:22 WEST 2006


#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 check using the Compaq compiler in an alpha machine, all
 runs converged in 35 steps and the results are exactly the same (bit by
 bit) for each run. Maybe it's a compiler bug.

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



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