[CPMD-list] compiling cpmd2cube file

[Axel Kohlmeyer]

On Mon, 10 May 2004, Dai Ling wrote:

DL> I intalled the cpmd2cube file on IBM690/AIX machine and I have checked
DL> that the default "-DFFT_xxxx" are the same for the cpmd2cube & cpmd,
DL> as mentioned in the README file.
DL>  When I want to use cpmd2cube to convert WANNIER file to .cube file,
DL> it shows "Illegal instruction (core dumped) ". What is going wrong?

hi,

please make sure that you have the correct -qarch flag
(or don't use it at all) and that you link to the proper
ESSL library (or use -lessl).

optimization does not really matter for cpmd2cube.

axel.

DL>  
DL> Thanks & Best Regards!
DL>  
DL> Scott

????

DL> _______________________________________________
DL> CPMD-list mailing list
DL> CPMD-list at cpmd.org
DL> http://www.cpmd.org/mailman/listinfo/cpmd-list
DL> 
DL> 

-- 


=======================================================================
Dr. Axel Kohlmeyer                        e-mail: axel.kohlmeyer at rub.de
Lehrstuhl fuer Theoretische Chemie          Phone: ++49 (0)234/32-26673
Ruhr-Universitaet Bochum - NC 03/53         Fax:   ++49 (0)234/32-14045
D-44780 Bochum  http://www.theochem.ruhr-uni-bochum.de/~axel.kohlmeyer/
=======================================================================