[Wien] cannot run opimize
Rong Yu
RYu at lbl.gov
Sun Oct 1 07:03:12 CEST 2006
Miao Shu,
You can try './optimize.job' or modify your environment variable PATH to include the present working directory.
Rong
> Dear Wien2k users
> I got a strange problem in optimizing the structure. I set up the
> optimize.job file. But when I type 'optimize.job' in commandline.
> It says
> "sh: optimize.job: command not found". So I run it from w2web by
> clicking"run optimize.job". It works, but lapw2 crashed in the 1st
> scf with output
> cp: cannot stat `.in.tmp': No such file or directory
> rm: cannot remove `.in.tmp': No such file or directory
> rm: cannot remove `.in.tmp1': No such file or directory
> ERROR status in mg2si_vol_-15.0
>
> However, if I just run scf with "run_lapw -p", it runs well.
> Actually, scf
> converged well without optimization. I just want to optimize the
> structureto get more accurate results. But above problem always
> occur. Anyone can
> help to sort out what is the possible cause?
>
> Thank you very much
>
> Shu Miao
>
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