[Wien] The -it switch (Wien2k_07.3)

[David Holec]

Thanks Peter,

You've guessed my situation perfectly (single machine & dual core & shared
memory). Now it works! Many thanks for you help and patience.

Nice weekend to everyone! 
David


__________________________________________________

David Holec               
Department of Materials Science & Metallurgy
University of Cambridge
Pembroke Street
CB2 3QZ, U.K.   

Tel: +44 (0) 1223 334404
Email: dh331 at cam.ac.uk
__________________________________________________





-----Original Message-----
From: wien-bounces at zeus.theochem.tuwien.ac.at
[mailto:wien-bounces at zeus.theochem.tuwien.ac.at] On Behalf Of Peter Blaha
Sent: Friday, August 17, 2007 3:20 PM
To: A Mailing list for WIEN2k users
Subject: Re: [Wien] The -it switch (Wien2k_07.3)

Are you running in parallel on a single multicore-machine and specified
"shared memory" during siteconfig ?

vec2old_lapw does not yet support that! If running in parallel it tries to
ssh to the other (or even the same) node and copies the file there.

I suggest you create some ssh-keys without passwort (ssh-keygen -t rsa) and
cp the public key into authorized_keys.

I'll try to fix this as soon as possible.

David Holec schrieb:
> Hello everyone,
> 
> I'm trying the iterative diagonalization started by the switch -it. 
> After the initialization I run
>   run_lapw -cc 0.001 -p -it
> The first cycle finishes OK. However, after lapw0 of the second cycle 
> I am asked for password. What is this about? I have no idea where this 
> comes from. If I run it without the -it switch, everything seems to 
> work ok (at least no question about password). This is the output I'm 
> getting in the
> terminal:
> 
>> run_lapw -cc 0.001 -p -it
>  LAPW0 END
>  LAPW1 END
>  LAPW1 END
>  LAPW1 END
> LAPW2 - FERMI; weighs written
>  LAPW2 END
>  LAPW2 END
>  LAPW2 END
>  SUMPARA END
>  SUMPARA END
>  CORE  END
>  MIXER END
> ec cc and fc_conv 1 0 1
> in cycle 2    ETEST: 0   CTEST: 0
>  LAPW0 END
> Password:
> 
> All the best,
> David
> 
> __________________________________________________
> 
> David Holec               
> Department of Materials Science & Metallurgy University of Cambridge 
> Pembroke Street
> CB2 3QZ, U.K.   
> 
> Tel: +44 (0) 1223 334404
> Email: dh331 at cam.ac.uk
> __________________________________________________
> 
> 
> 
> 
> 
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien

-- 

                                       P.Blaha
--------------------------------------------------------------------------
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW:
http://info.tuwien.ac.at/theochem/
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