[CPMD-list] request

[Axel Kohlmeyer]

On Tue, 11 May 2004, haider abbas wrote:

HA> hi Dear all cpmd user
HA> 
HA> i am using cpmd-3.7.2
HA> on installation it on my linux pentium 4 machine
HA> when i extract all files of tar package of cpmd there
HA> is a folder named cpmd-3.7.2 which contain source
HA> codes 
HA> i also download blas and lapack library and extracted
HA> all files in the source directory then i configure the
HA> source
HA> and used the command Configure PC-IFC>Makefile so
HA> compilation starts but after every thousands of lines
HA> compilation there is a message "this feature is
HA> obsolescent in fortran 95" and after some time

this is a 'feature' of the intel compilers and harmless
add  the flags -w95 -cm to FFLAGS and this will go away.
this is documented in the intel compiler users guide.

HA> compilation stop and there is a message
HA> 
HA> f77blas-ifc -latlas-ifc -Vaxlib   
HA> ld: cannot find -llapack-ifc
HA> make: *** [cpmd.x] Error 1
HA> wasim at swan:~/CPMD-3.7.2/SOURCE> 

as i told you in my last mail, you almost always have to 
adapt the makefile for your installation. especially on
linux machines there are few machines installed alike and
the cpmd configure script has no way to find out what is
needed on you installation. it just has the definitions
suitable for the machine of whoever updated this configuration 
last. so assuming that you downloaded the
libatlas_p4.a file from my homepage, your LFLAGS definition
should be something like:

LFLAGS = -L. -latlas_p4 -Vaxlib -static $(QMMM_LIBS)

that should do the trick,
	axel kohlmeyer.

HA> 
HA> could anybody please help me
HA> yours sincerely
HA> Haider Abbas
HA> 
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HA> 
HA> 

-- 


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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/
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