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)
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