[Wien] Error on V. Optimation

[Michael Gurnett]

if its 64 bit than you should be using fce (64 bit version of ifort). In
case you missed it (just mentioning it since I missed this the first
time)

Michael

On Tue, 2006-03-28 at 21:17 +0100, Bagher Ahmadi wrote:
> 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.s! o 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 ENT!
>  ER
>  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        &nbs!
>  p; 
>  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         &nb!
>  sp;
>  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?
>  
> Than! ks in advance and best wishes
> B. Ahmadi
> 
> 
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