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Re:




I just looked at simulation 4, but the results for simulation 5 are also
written to the file. The first line in sel_out_Sim1_DS3.out is from
simulation 4.
The next three lines are initial solution calculations from simulation 5.
Writing will continue to the selected output file for each calculation
(initial solution, initial exchange, reaction, etc) until it is turned off
or the file is changed.

David


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


                                                                                                                                   
                      "Jon Schwantes"                                                                                              
                      <plutonium@xxxxx         To:      "David Parkhurst" <dlpark@xxxxxxxx>                                        
                      et>                      cc:                                                                                 
In-Reply-To: <MABBJCOBOKMBDNHOOGCMEEMBCBAA.plutonium@xxxxxxx>
                                               Subject:                                                                            
                      08/28/01 02:52                                                                                               
                      PM                                                                                                           
                                                                                                                                   
                                                                                                                                   



Dr. Parkhurst,

I am enclosing an input, output and selected_output files I am working on
using PHREEQC 2.3.  Don't pay any attention to the "wierd" chemistry
described in the files, these are test files for an inverse program I have
written that utilizes PHREEQC to back calculate best fit equilibrium and
kinetic constants.  My problem shows up in the number of data punched to my
selected_output files for most of reactors at equilibrium.  I have
specified PHREEQC to punch data to selected output files for each of the
simulations.  Most of the simulations are kinetically controlled - these
output files look fine.  However, most (not all) of the simulations at
equilibrium punch more data than I have requested in the input file????
Specifically, look at input for simulations 4, 8, 12, 16, and 20 and
compare these to what is produced by each of their selected_output files.
Simulation 24 is also at equilibrium and the input file for this is written
the same way as the simulations giving me problems, but the selected output
file for simulation 24 is what I expect.

Do you have any thoughts on what might be causing this?



                               Jon Schwantes


                Environmental & Water Resources Engineering


                   Civil Engineering Department, MS-3136


                           Texas A&M University


                     College Station, Texas 77843-3136


                     h: 281-988-5860, w: 979-845-9772


                           e: plutonium@xxxxxxx


           "That that you give to others, does not die with you"


 (See attached file: INVRS_kin.pqi)(See attached file: INVRS_kin.pqo)(See
attached file: sel_out_files.zip)





Attachment: INVRS_kin.pqi
Description: Binary data

Attachment: INVRS_kin.pqo
Description: Binary data

Attachment: sel_out_files.zip
Description: Zip archive



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