[Wien] [SPAM?] problem to compile

luca sementa luca.sementa at ipcf.cnr.it
Fri Mar 30 17:27:02 CEST 2012


 

Dear all 
    

I am a new  user of Wien2k. I installed and used the code in serial, and once I gained  experience, I decided to install the parallel version on my cluster. I have an  AMD based system with    

a) intel  ifort compiler 11.0,    

b) mkl 10.3  libraries (I patched this libraries as described at the web site :http://software.intel.com/en-us/forums/showthread.php?t=102749)    

c)  OPENMPI-1.4.3              

Although  the installation did not give any errors,  when I run the script runsp_lapw in parallel mode using the switch  -p, I get the error message : 
        

/globalgfs/WIEN2K/lapw1_mpi:  symbol lookup error:  /opt/intel/Compiler/11.0/081/mkl/lib/em64t/libmkl_scalapack_lp64.so: undefined  symbol:MKL_INT
  /globalgfs/WIEN2K/lapw1_mpi: symbol lookup error:  /opt/intel/Compiler/11.0/081/mkl/lib/em64t/libmkl_scalapack_lp64.so: undefined  symbol: MKL_INT
  /globalgfs/WIEN2K/lapw1_mpi: symbol lookup error:  /opt/intel/Compiler/11.0/081/mkl/lib/em64t/libmkl_scalapack_lp64.so: undefined  symbol: MKL_INT
  /globalgfs/WIEN2K/lapw1_mpi: symbol lookup error:  /opt/intel/Compiler/11.0/081/mkl/lib/em64t/libmkl_scalapack_lp64.so: undefined  symbol: MKL_INT            

The problem  is that the mkl_scalapack library that I used to compile the code has a  different path. In fact the output of the ldd command is 
    

ldd  /globalgfs/WIEN2K/lapw1_mpi     

libmkl_scalapack_lp64.so  => /opt/intel/mkl/lib/intel64/libmkl_scalapack_lp64.so  (0x00002b5cdb250000)………………......            

Am I  missing something or am I doing anything wrong? 


Please let  me know if you need more information.    

Bests     

Luca  Sementa.

IPCF-CNR  Pisa (Italy)






    
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