[Wien] Wien 2K Startup
Hongjun Xiang
xhongjun at mail.ustc.edu.cn
Wed Dec 6 17:35:05 CET 2006
Dear Malik,
If your machines are connected through rsh or ssh,
you can use run_lapw -p to do automatically. Otherwise, you may
take a look at the script run_lapw.
Best regards,
Hongjun Xiang
=============================================================
H. J. Xiang
Postdoctoral Research Assistant
Department of Chemistry
North Carolina State University
Raleigh, NC 27695-8204
Tel: 001-919-515-8919
http://www4.ncsu.edu/~hxiang/
=============================================================
Malik wrote:
> Hi all,
> I had to run wien2k on multiple machines for performance improvement.
> for this puropse i have splitted the case.klist file into as many
> case.klist_* files as many i have kpoints data in the case.klist file.
> and run lapw1 for each kpoint seperately. as a result i get
> case.energy_* files. how do i combine all these case.energy_* files into
> one csae.energy file so that i can run lapw2. because it needs only one
> case.energy file.
>
> thanks for your help in advance.
>
> malik.
>
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