[CPMD-list] CPMD and ATLAS libs

[axel.kohlmeyer at theochem.ruhr-uni-bochum.de]

On Tue, 5 Mar 2002 14:06:49 +0100  marino vetuschi zuccolini wrote:

> Hello to all,
> I try to compile CPMD on a dual proc, based on RH7.2, and the Intel Fortran. 
> Atlas3.2.1 for PIII are the blas/lapack libs compiled for my system.
> During compilation I have this kind of message with two ATLAS subroutines 
> dlamch and xerbla.
> Does anyone knows if I have a wrong version of ATLAS lib or what ?
>
> Thanks
> 
> marino
> 
> ########################################################################
> 
> rm -f cpmd.x
> if [ "." != "." ]; then ln -s ./cpmd.x cpmd.x; fi
> ifc -tp p6 -axiM   -o ./cpmd.x timetag.o cpmd.o softex.
> ...
> ...
> mm_cpmd_ext_pot_f77.o  sysdepend.o shmemory.o -llapack -lf77blas -latlas 
> -Vaxlib
> /usr/lib/liblapack.a(dlamch.o): In function `dlamc2_':
> dlamch.o(.text+0xbbf): undefined reference to `s_wsfe'
> dlamch.o(.text+0xbd3): undefined reference to `do_fio'
> dlamch.o(.text+0xbd8): undefined reference to `e_wsfe'
> /usr/lib/liblapack.a(xerbla.o): In function `xerbla_':
> xerbla.o(.text+0x14): undefined reference to `s_wsfe'
> xerbla.o(.text+0x24): undefined reference to `do_fio'
> xerbla.o(.text+0x34): undefined reference to `do_fio'
> xerbla.o(.text+0x39): undefined reference to `e_wsfe'

hello!

the undefined references presumably belong to the f2c (or g2c) GNU fortran
runtime library. that means, your lapack library has been compiled
with g77 rather than intel ifc. you have to either compile
all fortran libraries (including lapack) with the _same_ compiler or try to
link the gnu fortran runtime as well (i.e. add the output of
gcc  -print-libgcc-file-name | sed -e 's,gcc.a,g2c.a,'
to the linker command line). but keep in mind, that mixing objects
of different fortran compilers can result in unexpected behavior
of the final execuable.

take care,
	axel.

> make: *** [cpmd.x] Error 1
> [zucco at qed SOURCE]$
> -- 
> Marino Vetuschi Zuccolini
> PESTO Group
> http://ugo.dipteris.unige.it
> DIPTERIS - Genova University
> Corso Europa 26 - 16132 - Italy
> email: zucco at dipteris.unige.it
> 
> --__--__--
> 

--

=======================================================================
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.