[Pw_forum] problem with phonon calculation
giannozz at democritos.it
Wed Nov 19 11:12:41 CET 2008
Arun Kumar Manna wrote:
> Computing Pc [DH,Drho] |psi>
> from cdiaghg : error # 176
> info =/= 0
this is unfortunately one of the worst cases to fix: an error inside
a lapack routine, with no obvious reason (I assume that your system
is ok: otherwise some error would have shown up much earlier). Are
you running in parallel or serially? and what libraries are you using?
sometimes machine-optimized libraries are very fast but not so reliable.
Paolo Giannozzi, Democritos and University of Udine, Italy
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