[CPMD-list] Compilation on Linux-PC

[Axel Kohlmeyer]

On Fri, 18 Oct 2002 16:17:29 +0200  Rachel SCHURHAMMER wrote:

> 
> Dear CPMD-users,
> 
> Trying to compile CPMD on a Linux-AMD-PC, with IFC, I get this message error:
>  
> /usr/lib/liblapack.so: undefined reference to `e_wsfe'
> /usr/lib/liblapack.so: undefined reference to `do_fio'
> /usr/lib/liblapack.so: undefined reference to `s_wsfe'
> make: *** [cpmd.x] Erreur 1
> 
> 
> If you have idea about this ..

yes. the lapack libraries you use has been compiled 
with the g77 fortran compiler and now you are
missing the g77 fortran runtime library.

you could either try to add -lg2c to you LFLAGS or
recompile BLAS/LAPACK with IFC (so it requires the 
ifc runtime instead of g77) or better yet ditch the
system lapack and use the atlas library. with the 
atlas library you will see a cpmd speed increase 
of up to 100% on pentiums and athlons.

unfortunately recompiling atlas is not a simple task.
but since you use amd cpus, you could try my version, 
which has been set up special to include the complete 
lapack and blas and does not require any further runtime 
libraries, so it will work with g77, PGI f77 and ifc.

in order to use it, just  copy it into your compiling
directory and replace all -lblas and -llapack statements
from LFLAGS with '-L. -latlas'.

you will find my binary at:

http://www.theochem.ruhr-uni-bochum.de/~axel.kohlmeyer/libatlas.a


hope this helps,

	axel kohlmeyer.


> Thanks for your help
> 
> Rachel Schurhammer
> _______________________________________________
> CPMD-list mailing list
> CPMD-list at cpmd.org
> http://www.cpmd.org/mailman/listinfo/cpmd-list
> 

--

=======================================================================
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
=======================================================================
If you make something idiot-proof, the universe creates a better idiot.