[Wien] Volume optimization and Error in Lapw2

[Peter Blaha]

Does it happen at the first scf cycle ?
Does it always happen ?

This looks like a NFS problem (either the old famous NFS-bug or simply due to a
slow overloaded NFS).

Are you using a recent WIEN2k version ?

Try to continue and repeat   (run_lapw -NI)

qianlijie84 schrieb:
> Dear all:
>    I want to do volume optimization for multilayers of 34 atoms .During 
> the initialization it creates 72 k points ,so i use 8 nods for 
> calculations .But it failed for lapw2 crashed.
>   1)The following is the error information during running:
>  / lib-4194 : UNRECOVERABLE library error
>     A numeric input field has incomplete data.
> 
>   Encountered during a list-directed READ from unit 30
>   Fortran unit 30 is connected to a sequential formatted text file:
>     "case.energy_3"
>   IOT Trap
> .in.tmp - No such file or directory
> Cannot access .in.tmp: No such file or directory
> Cannot access .in.tmp1: No such file or directory
> 
>  >   stop error
>  STOP  LAPW1 END
>  STOP/
>  2)The following is the error information in case.dayfile:
>   />   lapw2 -c  -p        (11:40:52) running LAPW2 in parallel mode
> Abort (core dumped)
> **  LAPW2 crashed!
> 0.7u 0.3s 0:04 26% 0+0k 74+7io 6pf+0w
> error: command   /disk1/issp/ljqian/WIEN2k_08/lapw2cpara -c lapw2.def   
> failed
> 
>  >   stop error
>  /I don't know what's the problem and how to deal with. Any suggestions 
> will be appreciated.
> 
> / Best wishes!
> //  yours sincerely
> ljqian
> /
> 
> / /
> 
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-- 

                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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