[CP2K:3001] COMBINE_COLVAR

Teodoro Laino teodor... at gmail.com
Wed Dec 15 18:47:59 CET 2010


Dear Ali,

the length for that line is already set to what the good sense says is a reasonable number (i.e. 250 charachters).
If you want just run for the sake of let cp2k do challenging things just increase default_path_length.

For scientific purposes I would really suggest you to rethink something slightly different and more compact, which is
catching the physics of your problem. With this one, honestly, I don't think you will go too far.

Teo

On Dec 15, 2010, at 6:15 PM, Ali wrote:

> Dear CP2K Users,
> 
> I am trying to perform metadynamics on a combination of collective
> variables. Within the section COMBINE_COLVAR, one can input a
> functional form for the combination of CV's. My functional form
> appears to be *too long* for the FUNCTION tag in COMBINE_COLVAR and I
> get the following error:
> 
> *** 17:45:01 WARNING in input_val_types:val_get err=-300  val_get
> will      ***
> *** truncate value, value beginning
> with                                    ***
> *** '(CV1-2)^2+(CV2-2)^2+(CV3-2)^2+(CV4-2)^2+(CV5-2)^2+(CV6-2)^2+
> (CV7-2)^2  ***
> *** (CV8-2)^2+(CV9-2)^2+(CV10-2)^2+(CV11-2)^2+(CV12-2)^2+(CV13-2)^2+
> (CV14-  ***
> *** )^2+(CV15-2)^2+(CV16-2)^2+(CV17-2)^2+(CV18-2)^2+(CV19-2)^2+
> (CV20-2)^2+  ***
> *** CV21-2)^2+(CV22-2)^2+(CV23-2)^2+(CV24-2)^2+(CV25-2)^2' is too
> long      ***
> *** for
> variable
> ***
> COLVARS| COMBINING FUNCTION : (CV1-2)^2+(CV2-2)^2+(CV3-2)^2+(CV4-2)^2+
> (CV5-2)^2+(CV6-2)^2+(CV7-2)^2+(CV8-2)^2+
> COLVARS| VARIABLES : CV1 CV2 CV3 CV4 CV5 CV6 CV7 CV8 CV9 CV10 CV11
> CV12 CV13 CV14 CV15 CV16 CV17 CV18 CV19 CV20 CV21 CV22 CV23 CV24 CV25
> 
> I thought an easy fix would be change the default_string_length to a
> larger number but that didn't seem to do the trick.
> 
> Any help/suggestions on how to get around this would be appreciated.
> 
> Ali
> 
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