HP2 Output Files
Following output files are created by HP2 (in addition to the output files created by the regular routines of the HYDRUS program):
• Phreeqc.out: a standard text output file of PHREEQC. This file contains information on different calculations steps, warnings, and a full description of the geochemical calculations. The amount of information written to the phreeqc.out file can be controlled using the PHREEQC keyword PRINT. Specific user-defined output in the phreeqc.out output file can be defined using the PHREEQC keyword USER_PRINT. When the radio button No Printing in phreeqc.out is selected in the HP2 Print Information dialog window, the output is generated only during the initialisation of the project (i.e., for the PHREEQC commands defined in the blocks GENERAL to GEOCHEMICAL in the Phreeqc.in Input File), but not during the TRANSPORT calculations. This option is recommended because otherwise an enormous amount of output will be generated during the transport calculations. The running time will also increase when all the geochemical information is written into phreeqc.out.
• Selected output file (xxx.hse): The name of the selected output file is defined in the File Name text box of the HP2 Print Information dialog window. Information which is printed into this file is: status, solution number, time, depth, the options selected in the Selected Output in the HP2 Print Information dialog window, and options the user defines using the SELECTED_OUTPUT PHREEQC keyword in the text editor Additional Output of the Solute Transport – HP2 Definitions dialog window. When the user selects only the option that punch times and locations are controlled by HYDRUS (see HP2 Print Information), the selected output file contains only information for the initial PHREEQC calculations, i.e. the PHREEQC calculations before the TRANSPORT keyword. Geochemical information during the transport calculations is saved in output files describe below. When the user selects the option that punch times and locations are controlled by PHREEQC (see HP2 Print Information), geochemical information during the transport calculations is also saved in the selected output file for the locations and times defined by the PHREEQC statements.
• Obs_node_chem.out, obs_node_chemx.out, obs_nod_chem_m.out, obs_nod_chem_im.out, obs_node_chem_mx.out, obs_node_chem_imx.out: These are files containing time series of the geochemical variables at the observation nodes defined by HYDRUS. The content is identical to the selected output file, but information is only written during the transport calculations. The exact names of the files created depend on the options the user selected in the HP2 Print Information dialog window (for details see Punch Times and Locations).
• Nod_inf_chem.out, nod_inf_chem_m.out, nod_inf_chem_im.out: These are files containing profile information of the geochemical variables for the Print Times defined by HYDRUS. The content is identical to the selected output file, but information is only written during the transport calculations. The exact names of the files created depend on the options the user selected in the HP2 Print Information dialog window (for details see Punch Times and Locations).
• Phreeqc.dmp: This is a file which contains the complete geochemical condition at a specific time (as defined in the HP2 Print Information dialog window). This file can be used to start a new simulation. Note that the dump file was created for transport simulations with PHREEQC, and thus some modifications for the use with HP2 may be needed.
• Phreeqc.log: This file contains information about each calculation. The information includes the number of iterations in revising the initial estimates of the master unknowns, the number of Newton-Raphson iterations, and the iteration at which any infeasible solution was encountered while solving the system of nonlinear equations. (An infeasible solution occurs if no solution to the equality and inequality constraints can be found.) At each iteration, the identity of any species that exceeds 30 mol (an unreasonably large number) is written to the log file and noted as an "overflow". Any basis switches are noted in the log file. The phreeqc.log file is created when the identifier –logfile is true under the keyword KNOBS.
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