[Wien] strange time using -it switch

[Peter Blaha]

No!!! Not in run_lapw, but in    vec2old_lapw  you should change -f to -fx

Furthermore: your run_lapw crashed ? without stopping ??? as can be seen below.
Similar error happened with your lapw1 ?????

Yongsheng Zhang schrieb:
> 1) replace the fist line in run_lapw by:
>     #!/bin/csh -x
> 

> printf >   %s\t%s  lapw0 -p (14:59:14)
> /home/zhang/wien-08-t/x lapw0 -p
> Invalid null command.
> forrtl: error (74): floating underflow
> forrtl: error (74): floating underflow
>  LAPW0 END
> forrtl: info (300): 1480320 floating underflow traps

> 
> Peter Blaha wrote:
>> I can hardly help without more info. Anyway, without a local SCRATCh dir
>> even without $para it should be ok.
>>
>> (execute vec2old_lapw -p on the commandline in this subdir.
>> What do you get ? Eventually change the first line of the script to -fx.)
>>
>>
>> Yes, of course the iterative diagonalization needs some extra memory (basically
>> two times the vector files + some auxilliary arrays. So when full diag. just fits
>> into the memory it is possible that -it will crash.
>> For such large cases I'd use the mpi-parallel version anyway!
>>   
> 
> 

-- 

                                       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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