[Wien] error with lapwdmpara

Peter Blaha pblaha at theochem.tuwien.ac.at
Thu Apr 6 16:12:47 CEST 2006


Hi,
I can confirm this problem in version WIEN2k_6.2 
I introduced this with the last update to work against the NFS-problem.

To fix it pleas edit   lapw2para_lapw

Locate the lines:

# fix for NFS bug:
  touch $case.weight
  rm $case.weigh*

and replace the    "rm line" by:

rm $case.weigh${updn}_* $case.clmval${updn}_* $case.vrespval${updn}_*  $case.help${updn}_* $case.scf2${updn}_*

(Afterwards you have to rerun lapw2 -p -up/dn)

Regards

>  Here is the errors when I type x lapwdm -up -p (version 6.2).
> 
> Regards,
> Khuong
> 
> running LAPWDM in parallel mode
> [1] 17997
> forrtl: severe (24): end-of-file during read, unit 26, file
> /HOME01/mic/cc0406/CuexLDA/CuexLDA.weighup_1


                                      P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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