[Wien] Parallel mini. positions

Jingmin Zhang zhang at cmat.uni-halle.de
Wed Sep 15 19:27:02 CEST 2004


Dear Dr. Gurnett,

Yes, it can be done by the command line " min -I -i 99 -s 1 -j 'run_lapw -I -p -fc 1.0'  ".

Thanks

Jingmin Zhang

----- Original Message ----- 
From: "Michael Gurnett" <michael.gurnett at kau.se>
To: <wien at zeus.theochem.tuwien.ac.at>
Sent: Wednesday, September 15, 2004 6:58 PM
Subject: Re: [Wien] Parallel mini. positions


> did you add the -p option.
> ----- Original Message ----- 
> From: "Jingmin Zhang" <zhang at cmat.uni-halle.de>
> To: <wien at zeus.theochem.tuwien.ac.at>
> Sent: Wednesday, September 15, 2004 5:56 PM
> Subject: [Wien] Parallel mini. positions
> 
> 
> > Dear Wien users,
> >
> > The "run SCF" works well in the parallel mode on our SunFire6800
> workstation.
> > However, the mini. position can not work in the parallel mode.
> > Is it a misconfiguration problem? How to solve this problem?
> >
> > Many thanks,
> > Jingmin Zhang
> >
> > _______________________________________________
> > Wien mailing list
> > Wien at zeus.theochem.tuwien.ac.at
> > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> >
> >
> 
> 
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