[Pw_forum] error message when calculated the phonon freqency

陳 少華 chen_shao_hua197 at yahoo.com.tw
Fri Feb 23 10:24:55 CET 2007


Dear Paolo,
I compiled the QE-3.2 on IBM P690 .
I  searching the mailing list archives and it showed
below:


> > > There is Paolo's comments on this: 
> > > >ESSL contains a version of ZHPEV  that is
> > > incompatible 
> > > > with ZHPEV provided by LAPACK. If __AIX is
> > defined,
> > > > the former is used.
> > > > Load ESSL before LAPACK.
> > > 
> > > Try to follow this advice, i.e. recompile PWSCF
> > with
> > > options -lessl -llapack.
> > > 
> > > Bests,
> > > Eyvaz.

So I tried to rewrite the part of the make.sys as
below:

BLAS_LIBS      = -lessl
LAPACK_LIBS    =  ../flib/lapack.a -lessl -llapack

note: I added "-lessl -llapack"
Then I "make all",but no *.x in bin/
Where did I wrong  with that new setting ?

P.S. the origional make.sys can let me make pw ,ph ...
well.
max


--- Paolo Giannozzi <giannozz at nest.sns.it> 說:

> 
> On Feb 22, 2007, at 11:04 , 陳 少華 wrote:
> 
> > Dear members,
> > When I calculated the phonon freqency.The error
> > message showed up
> > "** On entry to ZHPEV  parameter number  1 had an
> > illegal value"
> >
> > Does anyone know what it means ?
> 
> it is explained both in the users' guide and in
> several
> messages you can find by searching the mailing list
> archives.
> 
> Paolo
> ---
> Paolo Giannozzi, Democritos and University of Udine,
> Italy
> 
> 
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum
> 


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