[Wien] New mini PORT option

[Krzysztof Osuch]

Hi,

Exactly the same happened in my case: I used PORT option - mini stoped
after having performed a first step with the message 

"FORTRAN STOP >>  (mini) forces = 0 -> exit". I am enclosing all the *M*
files. The forces in case.finM are definitely different from zero, and I
would not call them small either.

By the way could anybody explain, how the input file case.inM should
look like when one uses port. The explanation in the usersguide is
rather confusing, as it states the the lines fro 2md onwards refer to
NEWT.

Best regards

K. Osuch

On Wed, 2004-05-19 at 15:03, L. D. Marks wrote:
> Can you attach the *.outputM, which has a lot of information in it
> although one needs to know a bit about how the port library routines
> operate to understand it. (I'm not sure what Peter put in the UG; it might
> be appropriate to add something.)
> 
> On Wed, 19 May 2004, Michael Gurnett wrote:
> 
> > Hello
> >
> > I was going to try the new PORT option. However, It always seems to stop directly after the first mini step claiming all forces are minimised (which I know is not true). If I use NEWT instead I get a minimisation that runs correctly without stopping directly claiming that there are no forces.
> >
> > What am I doing wrong?
> >
> >
> > Michael
> 
> -----------------------------------------------
> 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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