[CPMD-list] CPMD on IBM SMP sp3

[Juerg Hutter]

Hi

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

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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