[CPMD-list] compilation problem

[Axel Kohlmeyer]

On Tue, 19 Jun 2007, Aleksandr wrote:

hi,

when reporting this kind of problem, please _always_
state which hardware and what operating system/linux
distribution you are using. having to guess that, makes
it frequently very difficult to give a qualified and 
correct response.

> Hi,
> 
> I am compiling cpmd v3.11.1 and during the process I got the following
> error message:
> 
> p_cp.o mdshop_bo.o mm_mdshop_cp.o mm_mdshop_bo.o fusion.o rk4ov.o
> shop_adds.o  sysdepend.o    -llapack -lblas -Vaxlib
> /opt/intel/fc/9.1.045/lib/liblapack.a(dhseqr.o)(.text+0x443): In
> function `dhseqr_':
> : undefined reference to `s_cat'

well, ari already spotted that, but beyond the simple fix or
workadround, i recommend to have a word with your system administrator,
and ask how a g77 compiled lapack library finds its way into
the 'private' library directory of an intel compiler? 
generally, it is a very bad idea to mix and match libraries
from different fortran compilers since they tend to use not
fully compatible argument encoding conventions (CPMD is rather 
forgiving since the most problematic issues are in single 
precision real/complex functions).

cheers,
   axel.

[...]

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