[Wien] Processing power

[krutibas panda]

Thanks Martin ,

I will try that. Cause in the serial mode it takes me long. I might consider 
doing it in a parellel mode. I might get back to you is i have any problem

krutibas


>From: Martin Gelfand <gelfand at lamar.ColoState.EDU>
>Reply-To: wien at zeus.theochem.tuwien.ac.at
>To: wien at zeus.theochem.tuwien.ac.at
>Subject: Re: [Wien] Processing power
>Date: Fri, 26 Mar 2004 15:29:25 -0700 (MST)
>
>If you're not using the -p options for k-point parallelization
>you certainly should!  You need a .machines file of the form
>1:localhost
>1:localhost
>and then you're probably good to go.
>
>Regards,
>Martin Gelfand
>Dept of Physics, Colorado State University
>On Fri, 26 Mar 2004, krutibas panda wrote:
>
> > Dear Wien2k users,
> >
> > I have wien2k installed on a intel dual xeon machine. I am running 
>certain
> > calculation which takes me around 18 hours for a single input file. I
> > checked on the processor usage. Seems like at any point i am using 50% 
>of
> > the total processor (2 in this case) capability.
> >
> > My question is can i use the 2 processor with a parellel script and get 
>the
> > maximum out of it or is there anything i can do to increase the 
>processor
> > usage.
> >
> > appreciate your feedback.
> >
> > thanks
> > krutibas
> >
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