[CPMD-list] CPMD on IBM SMP sp3

[Ari.P.Seitsonen at iki.fi]

> there is a name conflict between lapack and essl
> libraries. To correctly link CPMD you need to set
> in the LFLAGS
>   -llapack -lessl -llapack

... and please do not try to change -DLAPACK to -DESSL unless you know
what you are doing; this would have implications on the libraries
needed etc.

    Greetings from sunny Ticino,

       apsi

> 
> Juerg
> 
> ----------------------------------------------------------
> Juerg Hutter                   Phone : ++41 1 635 4491
> Physical Chemistry Institute   FAX   : ++41 1 635 6838
> University of Zurich           E-mail: hutter at pci.unizh.ch
> Winterthurerstrasse 190
> CH-8057 Zurich, Switzerland
> ----------------------------------------------------------
> 
> 
> On Fri, 28 Mar 2003, c00ycl00 wrote:
> 
> > Dear all,
> >
> >        I installed LAPACK library and CPMD on IBM SMP sp3
> > successfully.  But when I run a test case ( be.inp download
> > >from CPMD web), the following error message appear:
> >
> > ------------------------------------------------------------------------------------------
> >   ATRHO| CHARGE(R-SPACE):    4.000000      (G-SPACE):    4.000000
> >
> > DSYGV : 2538-2005
> > The size of the leading dimension (ARG NO. 5) of an array must be greater
> > than zero.
> >
> > DSYGV : 2538-2006
> > The number of rows (ARG NO. 9) of a matrix must be less than or equal
> > to the size of the leading dimension (ARG NO. 5) of its array.
> >
> > DSYGV : 2538-2099
> > End of input argument error reporting. For more information, refer to
> > Engineering and Scientific Subroutine Library Guide and Reference (SA22-7272).
> >
> > DSYGV : 2538-2604
> > Execution terminating due to error count for error number 2099.
> >
> > DSYGV : 2538-2605
> > Message summary:      2005     - 1
> >
> > DSYGV : 2538-2605
> > Message summary:      2006     - 1
> >
> > DSYGV : 2538-2605
> > Message summary:      2099     - 1
> > --------------------------------------------------------------------
> >
> > Can anyone help me?  Thanks a lot.
> >
> > Best regards,
> > Yung-Chiang Lan
> > _______________________________________________
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> > http://www.cpmd.org/mailman/listinfo/cpmd-list
> >
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-- 
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 Ari Paavo Seitsonen / Ari.P.Seitsonen at iki.fi / http://www.iki.fi/~apsi/
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