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*
_______________________________________________
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:  
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html

Reply via email to