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Re: exception violation



David,

Thank you for the support. I went back through the inputs I had jumbled and things are running fine now. I enjoy using PHREEQC for my speciation research, it is a pretty straight forward model and is very user friendly. Again, thanks.


Cheers,


James George

M.S. Student
University of Idaho
Holm Research Center
Moscow, Idaho
83843


From: "David L Parkhurst" <dlpark@xxxxxxxx>
To: treywa@xxxxxxxxxxx
CC: "Scott R Charlton" <charlton@xxxxxxxx>
In-Reply-To: <OFABC7CDD6.B8C17E9D-ON87256A56.00504E7C@xxxxxxxx>
Subject: Re: exception violation
Date: Thu, 24 May 2001 07:56:32 -0700


There is another database file called wateq4f.dat that has selenium included. You can either use that database file or look at the definitions of the SOLUTION_MASTER_SPECIES and SOLUTION_SPECIES for selenium as a guide. You can also look at sulfur in phreeqc.dat as an analog. It looks like you are using PhreeqcI version 1, in which case you can change the database file through the Options menu on the main screen.

Version 2 of PHREEQC was published in 1999. The current release has 4
databases, including phreeqc.dat, wateq4f.dat, minteq.dat, and llnl.dat.
All of them except phreeqc.dat have some selenium data. There is also a new
version of PhreeqcI, which is in the final stages of development, that is
available. It has screens for all keywords except the thermodynamic data
keywords, like SOLUTION_MASTER_SPECIES, SOLUTION_SPECIES, and PHASES.
Unfortunately, you appear to be using these. The interface allows adding
these keywords through the editor or pasting into the editor, but does not
have the screens to guide the input. The interface is complete in that it
will read and run any valid PHREEQC version 2 file and all keywords can be
entered and edited through the main edit screen. The database file can be
changed through the Properties entry in the Files menu on the main screen.
PHREEQC and PhreeqcI version 2 are available at
http://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc.

You jumbled some of  the definitions of the redox species, but the program
should not have crashed. I've put some extra checks in the program, so that
the next version should not give a segmentation violation. Thanks for
sending in the bug.

David

David Parkhurst (dlpark@xxxxxxxx)
U.S. Geological Survey
Box 25046, MS 413
Denver Federal Center
Denver, CO 80225


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