[CP2K:1] printing forces to __STD_OUT__

[Teodoro Laino]

Ciao Nichols,

If I use the following section it works:

&MOTION
   &MD
     ENSEMBLE NVE
     STEPS 100
     TIMESTEP 2.5
     TEMPERATURE 298
     &NOSE
       LENGTH 3
       YOSHIDA 3
       TIMECON 1000
       MTS 2
     &END NOSE
   &END MD
   &PRINT
     &FORCES
       FILENAME __STD_OUT__
     &END
   &END
&END MOTION

Can we know PRECISELY how your MOTION section looks like?
Beware if you use FORMAT DCD (that is implicitly binary) in the  
FORCES section of MOTION you will get for sure the error you were  
mentioning..

Cheers
Teo
On 25 Apr 2007, at 22:29, Nichols A. Romero wrote:

> This is a follow-up to an email that I posted yesterday and that  
> Fawzi replied to.
>
> There are two places where one can print the forces to standard out.
> &FORCE_EVAL&PRINT&FORCES
> and
> &MOTION&PRINT&FORCES
>
> I've only manage to get the former one to print forces to std_out.  
> The latter
> one always gives some I/O error. Just FYI.
>
> -- 
> Nichols A. Romero, Ph.D.
> 1613 Denise Dr. Apt. D
> Forest Hill, MD 21050
> 443-567-8328 (C)
> 410-306-0709 (O)
>
> >