[Pw_forum] DFT +U difficult compiling comp_resp_mat.j

[Axel Kohlmeyer]

On Sat, 2009-05-23 at 15:56 +0100, pc229 at kent.ac.uk wrote:
> Dear all, 

dear piero,

> I'm trying to compile the comp_resp_mat.j concerning the DFT+U. Since
> I am running the ifort on a 32 bit machine I replaced what was written
> in the original file as below: 
> 
> ifort -o r.x resp_mat.f90 -L/opt/intel/mkl/10.1.2.024/lib/32
> -lmkl_lapack -lmkl_ia32 -lguide -lpthread
> 
> What I got are these two lines  
>  /opt/intel/mkl/10.1.2.024/lib/32/libmkl_lapack.so: undefined
> reference to `mkl_serv_load_fun'
> /opt/intel/mkl/10.1.2.024/lib/32/libmkl_lapack.so: undefined reference
> to `mkl_serv_load_dll'

yes, this is the correct behavior. you cannot mix and match
static and dynamic libraries with MKL. so, e.g. -lmkl_lapack -lmkl
should work. our you'd have to use something more elaborate like
explained in the MKL documentation. for example you normally want
to link the serial MKL API kernel.

cheers,
   axel.

> by looking at the previous messages  on the PW_forum I found someone
> else having my same problem. (link
> http://www.democritos.it/pipermail/pw_forum/2008-November/010596.html)
> 
> So, What am I suppose to do ?  anyone  has already compiled  this file
> under a 32 bit machine? 
> Cheers, Piero 
> 
> ---
> Pieremanuele Canepa
> Room 230
> School of Physical Sciences, Ingram Building, 
> University of Kent, Canterbury, Kent, 
> CT2 7NH
> United Kingdom
> 
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-- 
=======================================================================
Axel Kohlmeyer   akohlmey at cmm.chem.upenn.edu   http://www.cmm.upenn.edu
   Center for Molecular Modeling   --   University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582,  fax: 1-215-573-6233,  office-tel: 1-215-898-5425
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If you make something idiot-proof, the universe creates a better idiot.