[Wien] phonon calculations

Peter Blaha pblaha at theochem.tuwien.ac.at
Sun Apr 1 10:47:32 CEST 2007


A phonon calculation is ment for an "experienced" user.

Could you run regular WIEN2k calculations ?
Could you run in parallel ?

run_phonon is ment only as "template", similar as "optimize job" when 
doing a volume optimization. You may need to adopt it or run the 
different cases (case_XX) by hand.

It seems you have defined for parallel calculations (during siteconfig) 
that you have rsh access to remote machines. But the error indicates, 
you have not. If you don't want to use parallel calculations, remove the 
-p from the run_lapw line in run_phonon.

Sergio Yuanuen Rodriguez schrieb:
> Dear Wien2k Users:
> 
> I am trying to make phonon calculations using wien2k but when I have to
> run a file that is called run_phonon the following message appear
> 
> running case_1
>  LAPW0 END
> connect to address 127.0.0.1 port 544: Connection refused
> Trying krb4 rsh...
> connect to address 127.0.0.1 port 544: Connection refused
> Trying normal rsh (/usr/bin/rsh)
> connect to address 127.0.0.1 port 544: Connection refused
> Trying krb4 rsh...
> connect to address 127.0.0.1 port 544: Connection refused
> Trying normal rsh (/usr/bin/rsh)
> localhost.localdomain: Connection refused
> localhost.localdomain: Connection refused
> 
> can any one give me some suggestion of what is going on?
> Thank you for your help and regards.
> 
> 
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