[Wien] Error in lapw0

Gavin Abo gsabo at crimson.ua.edu
Tue May 19 20:44:20 CEST 2015


Did you create the file wien2k.32bits.in0?  The file is usually created 
by executing init_lapw.

On 5/19/2015 5:51 AM, muhammed thaha hashim wrote:
> Dear All,
>
> I am running Wien2k 32bits on Linux (Arch) operating system.
>
> I am a grad student. My goal is to evaluate the performance of Wein2k 
> on distributed systems.
>
> Currently, I am running Wien2k on my laptop. My goal is to find the 
> time taken at various stages (lapw0, lapw1, lapw2,sumpara) in the 
> workflow of wien2k.
>
> The steps that I followed are:
>
> cp atype/*.* .
>                     head -2 atype.in1 | split -1
>                     cat xab | sed "s/.\../5.5/g" >> xaa
>                     tail -24 atype.in1 >> xaa
>                     cat xaa > atype.in1
>                     rm xa*
>             time -p x -d lapw0
>             time -p lapw0 lapw0.def
>
> time -p x -d lapw0 generates lapw0.def. But, time -p lapw0 lapw0.def 
> produces a single line of error namely LAPW0 - Error.
>
> The content of lapw0.error is as follows
>
>  'LAPW0' - can't open unit: 5
>  'LAPW0' -        filename: wien2k.32bits.in0
>  'LAPW0' -          status: old          form: formatted
>
> What is the reason for this error? Could somebody please guide me 
> through this.
>
> Thanks for any guidance/help
> Hope everybody is having a good day!!
>
> Regards,
> *Thaha Muhammed*
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