[Wien] Asking again ~(-_-)~ ORB calculation error

[Claudio Lee]

One more try!

 Dear wien-users,
 Everything is going very well if I use "runsp_lapw 
 -orb -i 5" from my PC (running wien2k from 
 excecutable files). If however, I run "runsp_lapw 
 -orb -i 5" from my SUN system (which has been
 installed the latest version wien2k) then the error
 occurs after the orb -dn step. 
 In the .dayfile it looks like:
 ====
start       (Sun Aug 10 19:44:53 BST 2003) with lapw0
(3/20 to go)
   lapw0       (19:44:53) 5.4u 0.0s 0:06 92% 400+5014k
    lapw1  -up          (19:44:59) 19.4u 0.3s 0:20 98%

>   lapw1  -dn          (19:45:20) 19.4u 0.4s 0:20 98%
>   lapwso -up -orb     (19:45:41) 4.2u 0.1s 0:04 90% 
>   lapw2 -c -up -so    (19:45:46) 8.7u 0.4s 0:09 94% 
>   lapw2 -c -dn -so    (19:45:56) 8.6u 0.4s 0:09 95% 
>   lapwdm -up  -so -c  (19:46:06) 0.6u 0.1s 0:01 70% 
>   lcore -up   (19:46:08) 0.1u 0.0s 0:00 34% 87+279k 
>   lcore -dn   (19:46:09) 0.1u 0.0s 0:00 32% 94+287k
w
>   mixer       (19:46:11) 0.0u 0.0s 0:00 100%
344+168k 
:ENERGY convergence:  0 0 0
:CHARGE convergence:  0 0.0000001 0.4101509
2/19 to go

>   lapw0       (19:46:12) 5.4u 0.1s 0:05 93%
475+4996k 
>   orb -up     (19:46:19) 0.0u 0.0s 0:00 100%
344+156k 
>   orb -dn     (19:46:19) 0.0u 0.0s 0:00 100% 0+0k  
====
> And in the .err file it looks like:
> ===
> hup: Command not found.
> STOP  LAPW0 END
> STOP  LAPW1 END
> STOP  LAPW1 END
> STOP  LAPW2 END
> STOP  LAPW2 END
> STOP LAPWDM END
> STOP LAPWDM END
> STOP  CORE  END
> STOP  CORE  END
> STOP  MIXER END
> hup: Command not found.
> STOP  LAPW0 END
> STOP  ORB   END
> STOP  ORB   END
> if: Badly formed number.
> ===
*.inorb file
===
 1  1  0                     nmod, natorb, ipr
PRATT  1.0                    BROYD/PRATT, mixing
  1 1 2                          iatom nlorb, lorb
  0                              nsic 0..AFM, 1..SIC, 
   0.40 0.04                      U J
==
and *.indmc file
===
-9.                      Emin cutoff energy
 1                       number of atoms for which ..
 1  1  2      index of 1st atom, number of L's, L1
 0 0             r-index, (l,s)index
====
 I  dont know what is the point that makes this
 error.
 If anyone knows this problem please help me.
 
 Thank you very much in advance.
 
 Claudio.
 


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