[CPMD-list] compilation problem

[Axel Kohlmeyer]

On Fri, 6 Apr 2007, Martin Losada wrote:

ML> Hi,

hi!

ML> I am compiling cpmd v3.11 and during the process I got the following 
ML> error message:
ML> 

ML> : undefined reference to `etime_'
ML> /usr/lib/liblapack.a(dhseqr.o)(.text+0x363): In function `dhseqr_':
ML> : undefined reference to `s_cat'
ML> /usr/lib/liblapack.a(dhseqr.o)(.text+0x438): In function `dhseqr_':
ML> : undefined reference to `s_cat'

[...]

ML> Any help would be appreciate. I am compiling the code on Linux  with 
ML> PC-GFORTRAN

your lapack library has been compiled with g77, but you're using
gfortran to compile CPMD. it is generally not a good idea to
mix-n-match fortran compilers. add -lg2c to the libraries could
work (if you have it and g77 installed), compiling LAPACK with
gfortran would be an alternative. 

the best solution (and usually a better performance) can be achieved
with a portable/optimized LAPACK/BLAS (e.g. AMD's ACML, Intel's MKL
or ATLAS).

cheers,
  axel. 

ML> 
ML> Martin
ML> 
ML> 

-- 
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Axel Kohlmeyer   akohlmey at cmm.chem.upenn.edu   http://www.cmm.upenn.edu
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