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Re: [ESPResSo-users] About p3m auto tune feature.

From: Olaf Lenz
Subject: Re: [ESPResSo-users] About p3m auto tune feature.
Date: Fri, 25 May 2012 15:58:10 +0200
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Hey Joe,

On 05/25/2012 03:51 AM, Joe wrote:
> I am still using 3.0.2 and 3.0.1 to keep insistency so haven't 
> installed version 3.1.0. In my tcl script, I first created every 
> particle with their charges and the tuned it p3m and then started
> the main loop. Is this the correct order it?

Yes, that is correct!

> My guess is when the machine reads line of auto tune, it stops 
> reading more until the parameters for given accuracy are obtained.
>  Then those parameters are stored and used until the simulation
> ends. If the guess is true, I have turn everything on, including
> fluidics, LJ potential, before I start to tune it, otherwise the
> contribution of those parts are not counted in.

Your guess is correct.

> I also tried to get those parameters displayed by using inter 
> coulomb. I tried it in several ways: puts {inter coulomb}, puts 
> "inter coulomb", inter coulomb ... But never get them displayed in
>  the standard output. Did I use wrong commands, or I did it the
> wrong way?

You just used the wrong syntax:

  puts [inter coulomb]

should print the output of the command "inter coulomb" to the screen.

- -- 
Dr. rer. nat. Olaf Lenz
Institut für Computerphysik, Pfaffenwaldring 27, D-70569 Stuttgart
Phone: +49-711-685-63607
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