[Wien] The mail to wien2k mailing list.
    muhammed thaha hashim 
    mthaha1989 at gmail.com
       
    Tue May 19 09:31:47 CEST 2015
    
    
  
I am running Wien2k 32bits with windows 8 operating system .
I am a grad student. My goal is 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.
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