[Wien] A warning or a problem with icc and wien2k

[César de la Fuente]

Dear sirs,

After a successful installation of wien2k v.10 by using ifort and icc v.12.0
and mkl 10.3 time ago, I have had re-installing again wien2k soft and intel
compilers. But now I cannot avoid the next problem previously reported in
mailing list for Wien2k in the SRC_vectpratt programs (please see the "
compile_SRC_vecpratt.txt" attached). 

It only seems a warning not a real error!. However, when I execute the
TiC-example of the Wien2k-guide (just to calibrate the software
installation) I cannot pass-through the initialization process, as usually
done. 

As expected, it stops at x lstart program showing me up the next warning:

--------------------------------------------------------------------------
Invalid null command.
  SELECT XCPOT:
  recommended: 13: PBE-GGA (Perdew-Burke-Ernzerhof 96)
                5: LSDA
               11: WC-GGA (Wu-Cohen 2006)
               19: PBEsol-GGA (Perdew etal. 2008)

  SELECT ENERGY to separate core and valence states:
  recommended: -6.0 Ry (check how much core charge leaks out of MT-sphere)
  ALTERNATIVELY: specify charge localization
  (between 0.97 and 1.0) to select core state


WARNING: R0 for atom    1 Z= 22.00 too big

forrtl: severe (71): integer divide by zero
Image              PC        Routine            Line        Source

lstart             080C20C9  Unknown               Unknown  Unknown

lstart             080561BC  MAIN__                    136  lstart.f
lstart             08049FA4  Unknown               Unknown  Unknown
libc.so.6          4008BBD6  Unknown               Unknown  Unknown
lstart             08049EB1  Unknown               Unknown  Unknown

0.0u 0.0s 0:00.03 0.0% 0+0k 8+72io 0pf+0w
error: command   /usr/local/wien2k/lstart lstart.def   failed
--------------------------------------------------------------------------

So, the previous compiling warning must be a real error and apparently it
affects to icc configuration and specifically to W2kutils.c program.

Any idea about how fix the problem by using the icc compiler? 

Thanks for any comments.
Sincerely,
César de la Fuente. 


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