[Wien] Error in lapw0
muhammed thaha hashim
mthaha1989 at gmail.com
Tue May 19 13:51:25 CEST 2015
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*
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20150519/21fd6cd2/attachment.html>
More information about the Wien
mailing list