[Wien] New mini PORT option

[Michael Gurnett]

Here it is

----- Original Message ----- 
From: "L. D. Marks" <L-marks at northwestern.edu>
To: <wien at zeus.theochem.tuwien.ac.at>
Sent: Monday, May 24, 2004 7:35 PM
Subject: Re: [Wien] New mini PORT option


> Can you send the case.outputM file; this has the information needed to
> diagnose (maybe) what is going on.
>
> On Mon, 24 May 2004, Michael Gurnett wrote:
>
> > I have now updated the SRC_mini using the update option in siteconfig.
> > However. The problem still seems to be there. This time it stopped after
the
> > second cycle. However, forces were still as high as 9 using grep :FGL.
> >
> > Hope someone can figure out what is wrong (for now I'm back to using
NEWT
> > option)
> >
> > Michael
> >
> > ----- Original Message -----
> > From: "Peter Blaha" <pblaha at zeus.theochem.tuwien.ac.at>
> > To: <wien at zeus.theochem.tuwien.ac.at>
> > Sent: Friday, May 21, 2004 10:06 AM
> > Subject: Re: [Wien] New mini PORT option
> >
> >
> > > > Exactly the same happened in my case: I used PORT option - mini
stoped
> > > > after having performed a first step with the message
> > >
> > > Sorry,
> > > Updated version on the web.
> > >
> > >                                       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/
> >
> --------------------------------------------------------------------------
> > >
> > > _______________________________________________
> > > Wien mailing list
> > > Wien at zeus.theochem.tuwien.ac.at
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> > >
> > >
> >
> >
> > _______________________________________________
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> >
>
> -----------------------------------------------
> Laurence Marks
> Department of Materials Science and Engineering
> MSE Rm 2036 Cook Hall
> 2225 N Campus Drive
> Northwestern University
> Evanston, IL 60201, USA
> Tel: (847) 491-3996 Fax: (847) 491-7820
> mailto:L-marks at northwestern.edu
> http://www.numis.northwestern.edu
> -----------------------------------------------
>
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