[Pw_forum] Example21 Problem

[Axel Kohlmeyer]

On Tue, 26 Jun 2007, Amos Leffler wrote:

AL> Dear Forum,
AL>          Attached  are the details of a problem I ran into trying to  
AL> execute  example21.  I am using SuSE  Linux 10.2 which has worked well 
AL> up to this point so I think the problem is in the  run_example file.

well, i would say the problem is in your using of -ftrace=full. why?
example21 is special and requires as an argument the maximum number
of water molecules that you want to run (32-512). if you provide

the error message stems from the numerical compares of the first 
argument of the script, $1, with the corresponding number of waters.
the way it is done, allows to have a default value of '0' (i.e.
don't run any of those tests). your -ftrace=full argument expands
to a non-numerical value, hence the error messages. in all other
scripts it will be ignored, anyways.

cheers,
   axel.


AL>                                                                         
AL>    Amos Leffler
AL>                                                                         
AL>     Walnut Creek, CA.
AL>                                                                         
AL>        unaffiliated
AL> 
AL> 

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Axel Kohlmeyer   akohlmey at cmm.chem.upenn.edu   http://www.cmm.upenn.edu
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