[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
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Reporter: xavier | Owner: anonymous
Type: defect | Status: new
Priority: critical | Milestone:
Component: octopus-core | Version: trunk
Resolution: | Keywords: ifort, gfortran, scf
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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.
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Ticket URL: <http://www.tddft.org/trac/octopus/ticket/37>
Octopus <http://tddft.org/programs/octopus/>
A TDDFT solver
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