[CPMD-list] about Makefile in cpmd2cube

Axel Kohlmeyer axel.kohlmeyer at theochem.ruhr-uni-bochum.de
Wed Apr 20 11:59:44 CEST 2005


On Wed, 20 Apr 2005, Hong Won Keon wrote:

HWK> Dear everybody in CPMD-list,

dear hong,

HWK> I'm trying to make cpmd2cube executive file.
HWK> 
HWK> But as you expected, I'm struggling with to configure Makefile.
HWK> 
HWK> I made Makefile setting Linux-Alpha.
HWK> 
HWK> I'm using g77 compiler.

this cannot work. cpmd2cube is fortran 90 code, so you need
a fortran 90 compiler, i.e. the DEC/Compaq/HP/Whatever compilers.

you can try your luck with g95, but i don't know 
if anybody ever tried it.

regards,
	axel.
HWK> 
HWK>  
HWK> 
HWK> FC = g77
HWK> 
HWK> FFLAGS = -C -E -DFFT_DEFAULT -DLAPACK -free
HWK> 
HWK> LFLAGS = -O
HWK> 
HWK> LIBS = LAPACK
HWK> 
HWK>  
HWK> 
HWK> With the above setting, when I run make, still I have an error message.
HWK> 
HWK>  
HWK> 
HWK> How do I need to mend the configuration part in Makefile?
HWK> 
HWK>  
HWK> 
HWK> Thanks in advance
HWK> 
HWK>  
HWK> 
HWK> HONG won keon
HWK> 
HWK> 

-- 

=======================================================================
Dr. Axel Kohlmeyer   e-mail: axel.kohlmeyer at theochem.ruhr-uni-bochum.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/
=======================================================================
If you make something idiot-proof, the universe creates a better idiot.




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