[Wien] Error on V. Optimation

[Bagher Ahmadi]

Dear Prof. Blaha and wien2k user
   
  Error on calculation of V. optimization
  I changed the switch –xB to –xP on O option but still the error as before. Moreover, the processor is em64t. I tried to compile with 64bit but it gives me the following error:
   
  /opt/intel/mkl/8.0.1/lib/em64t/libmkl_lapack64.so file not recognized: file format not recognized.
   
  However, any comments are welcome both for 32 bit and 64bit  
  Best wishes
   
  I have a system Pentium 4, CPU 2.80GHz, 1.00GB of RAM
  I have installed the wien2k_06 with Fedora core 3 without any errors.
  The compiler options are:
  O: -FR –mpl –w –prec_div –pc80 –pad –ip –DINTEL_VML –xB
  L: -L/opt/intel/fc/9.0/lib –i-static –lguide_stats –lsvml –lpthread
  R: -L/opt/intel/mkl/8.0.1/lib/32 –lmkl_lapack –lmkl_ia32 –lguide –lpthread
   
  For test I did run TiC without any errors. The whole tasks are running well, but  when I run the optimize volume it gives the following errors:
   

 GENERATES STRUCT-FILES AND optimize.job

 PLEASE CHOOSE ONE OF THE FOLLOWING FEATURES:

 

 [1]  VARY VOLUME with CONSTANT RATIO A:B:C

 [2]  VARY C/A RATIO with CONSTANT VOLUME (tetr and hex lattices)

 [3]  VARY C/A RATIO with CONSTANT VOLUME and B/A (orthorh lattice)

 [4]  VARY B/A RATIO with CONSTANT VOLUME and C/A (orthorh lattice)

 

 ********************************************

 

 NUMBER OF STRUCTURE CHANGES ?

 PLEASE ENTER VALUE            1 (IN %)  

forrtl: severe (59): list-directed I/O syntax error, unit -4, file stdin

Image              PC        Routine            Line        Source             

optimize           080997FA  Unknown               Unknown  Unknown

optimize           08097ECD  Unknown               Unknown  Unknown

optimize           0806FB4D  Unknown               Unknown  Unknown

optimize           0804CFCE  Unknown               Unknown  Unknown

optimize           0804CCFE  Unknown               Unknown  Unknown

optimize           0805BBB3  Unknown               Unknown  Unknown

optimize           0805B376  Unknown               Unknown  Unknown

optimize           0804A801  Unknown               Unknown  Unknown

optimize           0804A56D  Unknown               Unknown  Unknown

optimize           08049BC5  Unknown               Unknown  Unknown

libc.so.6          009DBE33  Unknown               Unknown  Unknown

optimize           08049B01  Unknown               Unknown  Unknown

0.002u 0.003s 0:00.04 0.0%     0+0k 0+0io 4pf+0w

error: command   /root/wien2k/optimize optimize.def   failed

 
  I wonder, may I ask, could you please any one help me and let me know what the problems is? Or any comments?
   
  Thanks in advance and best wishes
  B. Ahmadi

		
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