[Wien] mini error

[Peter Blaha]

Most likely a (temporary) problem with your filesystem (NFS ??)
Comment out the volume which was already done and resubmit the job.

Santhy Jaiker schrieb:
> 
> Dear wien2k users,
>  
> I am running minimization, with varying 7 different volume of a 
> structure with fixd A:B:C ratio.  That's same as in optimization notes.  
> After running two structures, it stopped with error.  The forces are 
> minimized for calculated two structures, but error shows for third one. 
> i listed the error displays in various files.
>  
> lapw2.error   -- Error in lapw2
> case.dayfile -- lapw2.def failed
> mini.error    --STOP  in MINI, FORCES small
> wien2k.err(error file for parallel running)---
>  
> forrtl: severe (24): end-of-file during read, unit 10, file 
> /...../case.vector
> Image              PC                Routine            Line        
> Source            
> lapw2              00000000007E892E  Unknown               Unknown  Unknown
> lapw2              00000000007E78C0  Unknown               Unknown  Unknown
> lapw2              00000000007A3AFA  Unknown               Unknown  Unknown
> lapw2              0000000000767F2B  Unknown               Unknown  Unknown
> lapw2              0000000000767808  Unknown               Unknown  Unknown
> lapw2              0000000000780182  Unknown               Unknown  Unknown
> lapw2              000000000045FA3D  Unknown               Unknown  Unknown
> lapw2              00000000004733F6  Unknown               Unknown  Unknown
> lapw2              0000000000413662  Unknown               Unknown  Unknown
> libc.so.6          00000038C571C3FB  Unknown               Unknown  Unknown
> lapw2              00000000004135AA  Unknown               Unknown  Unknown
>  
> Wien2k.out (output file for parallel running) --
>  >;   stop error
>  >;>;>; (min) status after run_lapw -I -fc 1.0 -i 400 -ec 0.0001 -cc 
> 0.0001 \: 9 ->; exit
> ERROR status in case_vol__-4.0
> anyone come accross this kind of error?
>  
> Regards,
> Santhy Jaiker
>  
> Research Scholar
> Materials Thermodynamics Lab
> Department of Metallurgical and Materials Engineering
> Indian Institute of Technology Madras
> Chennai - 600 036
> India
> Tel: 91-044-22575763
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> 
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> 
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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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