Publication Heywood, C.E., Lindaman, M.A., and Lovelace, J.K., 2019, Simulation of Groundwater Flow and Chloride Transport in the “1,500-Foot” Sand, “2,400-Foot” Sand, and “2,800-Foot” Sand of the Baton Rouge Area, Louisiana: U.S. Geological Survey Scientific Investigations Report 2019-5102 https://doi.org/10.3133/sir20195102 Data Release Heywood, C.E., 2019, SEAWAT Model of Flow and Chloride Transport in the “1,500-Foot”, “2,400-Foot”, and “2,800-Foot” Sands of the Baton Rouge Area, Louisiana: U.S. Geological Survey data release https://doi.org/10.5066/P96YE03Q MODEL ARCHIVE ------------- Archive created: 2019-07-10 -------------------------------------------------------------------------- DISCLAIMER- THE FILES CONTAINED HEREIN ARE PROVIDED AS A CONVENIENCE TO THOSE WHO WISH TO REPLICATE SIMULATIONS OF GROUNDWATER FLOW THAT ARE DESCRIBED IN U.S. GEOLOGICAL SURVEY SCIENTIFIC INVESTIGATIONS REPORT 2019-5102. ANY CHANGES MADE TO THESE FILES COULD HAVE UNINTENDED, UNDESIRABLE CONSEQUENCES. THESE CONSEQUENCES COULD INCLUDE, BUT MAY NOT BE NOT LIMITED TO: ERRONEOUS MODEL OUTPUT, NUMERICAL INSTABILITIES, AND VIOLATIONS OF UNDERLYING ASSUMPTIONS ABOUT THE SUBJECT HYDROLOGIC SYSTEM THAT ARE INHERENT IN RESULTS PRESENTED IN U.S. GEOLOGICAL SURVEY SCIENTIFIC INVESTIGATIONS REPORT 2019-5102. THE U.S. GEOLOGICAL SURVEY ASSUMES NO RESPONSIBILITY FOR THE CONSEQUENCES OF ANY CHANGES MADE TO THESE FILES. IF CHANGES ARE MADE TO THE MODEL, THE USER IS RESPONSIBLE FOR DOCUMENTING THE CHANGES AND JUSTIFYING THE RESULTS AND CONCLUSIONS. -------------------------------------------------------------------------- SIR2019-5102/ Description: ----------- The underlying directories contain the input and output files for the simulations described in the report, input and output data files for the model calibration regression; and MODFLOW, SEAWAT and PEST++ codes. Descriptions of the data in each subdirectory are given to facilitate understanding of this model archive. Files descriptions are provided for select files to provide additional information that may be of use for understanding this model archive. The MODFLOW simulations utilize the MNW2 package to generate equivalent WELL Package input for two of the three SEAWAT scenarios. Because the resulting WELL Package input was copied into the input directories for the SEAWAT runs, it is not neccesary to execute the MODFLOW runs in order to recreate the SEAWAT output. MODFLOW-2005 and SEAWAT were compiled using the Intel Fortran Compiler for 64-bit operating systems. The model ran on Windows 10 (64-bit) operating system. Support is provided for correcting errors in the data release and clarification of the modeling conducted by the U.S. Geological Survey. Users are encouraged to review the complete model report (https://doi.org/10.3133/SIR2019-5102) to understand the purpose, documentation report construction, and limitations of this model. Reconstructing the model archive from the online data release: -------------------------------------------------------------- The model archive is available as a data release from: https://doi.org/10.5066/P96YE03Q The models will run successfully only if the correct directory structure is correctly restored. The model archive is broken into several pieces to reduce the likelihood of download timeouts. Small files (readme.txt and modelgeoref.txt) are available as uncompressed files. All other files are zipped at the subdirectory level. For example, the files in the "georef" subdirectory are zipped into a zip file named "georef.zip". All zip files should be unzipped into a directory with the same name as the zip file name without the .zip extension. Running the model: ----------------- Five simulations are included in this data release. The two MODFLOW simulations were completed utilizing the MNW2 package to format the well package input used in SEAWAT Scenarios 1 and 2, respectively. Well Package Input for SEAWAT Scenario 3 was created by editin the Scenario 1 Well input file. A batch file to execute each simulation resides in a sub-directory under the /model directory. Clicking the batch file in a Windows operating system should execute the program. Alternatively, if a different operating system is utilized, either SEAWAT or MODFLOW-2005 may be executed by opening a command line/terminal in the model subdirectory and typing either: ..\..\bin\mf2005.exe .nam ..\..\bin\swt_v4.exe .nam as appropriate. When MODFLOW-2005 or SEAWAT is executed, a single prompt is issued for the name file that specifies the input files to be used in the simulation, as well as, the output files that are created. Responding to this prompt with the name file in the appropriate directory will initiate the corresponding simulation. Note: The output for these models is written directly to the output directory. Running the model will overwrite the existing files. ------------------------------------------------------------------------------------ The highest-level directory of the model archive is: SIR2018-5102/ Files: ----- readme.txt: This file (documents the structure of the model archive). modelgeoref.txt: ASCII file with the four corners of the model domain. Model data files are provided as decimal degrees in NAD 1983 projection. The sub-directories in the archive are: /model Contains 6 subdirectories for the model documented in Heywood and others (2019). /MF-scene1 Contains the files to execute the MODFLOW-2005 run that generate the Scenario 1 equivalent well package. /MF-scene2 Contains the files to execute the MODFLOW-2005 run that generate the Scenario 2 equivalent well package. /SEAWAT-scen1 Contains the model input files to execute the SEAWAT simulation for Scenario 1. /SEAWAT-scen2 Contains the model input files to execute the SEAWAT simulation for Scenario 2. /SEAWAT-scen3 Contains the model input files to execute the SEAWAT simulation for Scenario 3. /externalfiles Contains the model input files used by all of the MODFLOW and SEAWAT scenarios /output Contains 2 subdirectories that contain output from the MODFLOW and SEAWAT models. /output.MF-scen1 Contains the MODFLOW model output and equivalent WEL file for scenario 1. /output.MF-scen2 Contains the MODFLOW model output and equivalent WEL file for scenario 2. /output.SEAWAT-scen1 Contains the SEAWAT model output files for scenario 1. /output.SEAWAT-scen2 Contains the SEAWAT model output files for scenario 2. /output.SEAWAT-scen3 Contains the SEAWAT model output files for scenario 3. /source Contains source codes of the groundwater flow and transport programs /MF2005.1_12 Contains the MODFLOW-2005 source code used for this model. /SEAWAT_v4_00_05 Contains the SEAWAT source code used for this model. /PEST++ Contains the PEST++ source code used for this model. /bin Contains single-precision versions of the MODFLOW and SEAWAT executable code used for this simulation, and the PEST++ program used for parameter estimation. /ancillary Contains model template and control files used for model calibration with PEST++. /georef Contains a shape file defining the active area of the finite-difference model grid. Because all finite-difference cells are active, the area of the polygon is identical to the active model area. ----------------------------------------------------------------------------------------------------------------------------- The full directory structure of the model archive and the files within each subdirectory are listed below. ancillary/ Description: ----------- This directory contains PEST++ input, instruction, and template files File: file purpose ----- ----------- pp_15.tpl PEST++ template file to specify pilot-point paramter values for 1500-ft sand pp_24.tpl PEST++ template file to specify pilot-point paramter values for 2400-ft sand pp_28.tpl PEST++ template file to specify pilot-point paramter values for 2800-ft sand pp_par.tpl PEST++ template file to generate MODFLOW parameter input file lpf.tpl PEST++ template file to generate layer-property flow package input file hfb.tpl PEST++ template file to generate horizontal flow barrier input file bas.tpl PEST++ template file to generate basic package input file drawdown.ins PEST++ instruction file to extract simulated equivalents to observed heads. fac2real_15_kin.txt Command reponses for program FAC2REAL fac2real_24_kin.txt Command reponses for program FAC2REAL fac2real_28_kin.txt Command reponses for program FAC2REAL files.fig settings required by FAC2REAL and PPK2FAC grid_specs_ft.txt model grid definitions for FAC2REAL and PPK2FAC head_forward.pst PEST++ input file for a forward model run lay28.inf Zone array for PPK2FAC ZONE29.inf Zone array for PPK2FAC pp15lamb.txt Pilot point location file for 1500-ft sand pp24lamb.txt Pilot point location file for 2400-ft sand pp28lamb.txt Pilot point location file for 2800-ft sand ppk15_input.txt Command reponses for program PPK2FAC ppk24_input.txt Command reponses for program PPK2FAC ppk28_input.txt Command reponses for program PPK2FAC ppk2fac.bat Batch file to run program PPK2FAC Fac2real.bat Batch file to run program FAC2REAL settings.fig settings required by FAC2REAL and PPK2FAC structure_file.txt Variogram definitions for spatial interpolation bin/ Description: ----------- This directory contains the 64-bit executables used to do the analysis documented in the report https://doi.org/10.3133/SIR20195102 MODFLOW-2005 and SEAWAT were used for simulations documented in this data release. The model calibration regression was performed with PEST++. The programs ppk2fac, ppkreg, and fac2real were used for spatial interpolation between pilot-point parameters during calibration. Files: ----- mf2005.exe : MODFLOW-2005 version 12 swt_v4.exe : SEAWAT version 4 pest++ : PEST++ ppk2fac : PPK2FAC ppkreg : PPKREG fac2real : FAC2REAL georef/ Description: ----------- This directory contains a shapefile defining the active and inactive areas of the model documented in the report, https://doi.org/10.3133/SIR20195102 Files: file purpose ---------------------- -------------------------------------- epsg_utm_zone15.pdf description of shapefile projection sir2018_grid.CPG part of model grid shapefile sir2018_grid.dbf part of model grid shapefile sir2018_grid.prj part of model grid shapefile sir2018_grid.sbn part of model grid shapefile sir2018_grid.sbx part of model grid shapefile sir2018_grid.shp part of model grid shapefile sir2018_grid.shp.xml part of model grid shapefile sir2018_grid.shx part of model grid shapefile ----------------------------------------------------------------------------------------------------------------------------- model/ Description: ----------- This directory contains subdirectories that contain the input files for model runs documented in the report, https://doi.org/10.3133/SIR20195102 Input files under /MF-scene1 file purpose file format documention ----------------- -------------------------------------- ----------------------- Run_MODFLOW.bat run MODFLOW scenario 1 modflow_scenario1.nam MODFLOW-2005 name file scenario1 Harbaugh (2005) 42417_ITT1.hob MODFLOW Head Observation input Harbaugh (2005) connect_030618.mnw Multi-node well package input Konikow and others (2009) usgs.model.reference register model in time and space ----------------- -------------------------------------- ----------------------- Input files under /MF-scene2 file purpose file format documention ----------------- -------------------------------------- ----------------------- Run_MODFLOW.bat run MODFLOW scenario 2 modflow_scenario2.nam MODFLOW-2005 name file scenario2 Harbaugh (2005) Scenario2.mnw Multi-node well package input Konikow and others (2009) usgs.model.reference register model in time and space ----------------- -------------------------------------- ----------------------- Input files under /SEAWAT-scen1 file purpose ----------------- -------------------------------------- transport_scenario1.bat run SEAWAT: Scenario 1 "status quo" scenario1.nam SEAWAT name file scenario 1 scenario1.wel scene1 WEL file usgs.model.reference register model in time and space ----------------- -------------------------------------- Input files under /SEAWAT-scen2 file purpose ----------------- -------------------------------------- transport_scenario2.bat run SEAWAT: Scenario 2 scenario2.nam SEAWAT name file scenario 2 scenario2.wel scene2 WEL file usgs.model.reference register model in time and space ----------------- -------------------------------------- Input files under /SEAWAT-scen3 file purpose ----------------- -------------------------------------- transport_scenario3.bat run SEAWAT: Scenario 3 scenario3.nam SEAWAT name file scenario 3 scenario3.wel scene3 WEL file usgs.model.reference register model in time and space ----------------- -------------------------------------- Input files under model/externalfiles file purpose ----------------- ------------------------------ BR.mnwi Multi-node information input file modflow.pcg PCG input file pp1500.pva MODFLOW-2005 parameter-value file none.oc output control for no output head_start.bas Basic package 1500.dis Discretization file TOP.fhb Flow and Head boundary Package head_start.fhd formatted starting head array seawat.hfb Horizontal Flow Barriers (faults) seawat.lpf Layer-Property Flow Package ibound.array ibound array Ksands.mlt multiplier file K_15.ref hydraulic conductivity array K_24.ref hydraulic conductivity array K_28.ref hydraulic conductivity array BR.zon zonefile TOP400.array layer bottom array BASE400.array layer bottom array TOP600.array layer bottom array BASE600.array layer bottom array TOP800.array layer bottom array BASE800.array layer bottom array TOP1000.array layer bottom array BASE1000.array layer bottom array TOP1200.array layer bottom array BASE1200.array layer bottom array TOP1500.array layer bottom array BASE1511.array layer bottom array BASE1512.array layer bottom array BASE1513.array layer bottom array BASE1514.array layer bottom array BASE1515.array layer bottom array BASE1516.array layer bottom array BASE1517.array layer bottom array BASE1518.array layer bottom array BASE1519.array layer bottom array BASE1500.array layer bottom array TOP1700.array layer bottom array BASE1700.array layer bottom array TOP2000.array layer bottom array BASE2000.array layer bottom array TOP2400.array layer bottom array BASE2400.array layer bottom array TOP2800.array layer bottom array BASE2800.array layer bottom array scenario.btn basic transport (BTN) file tvd.adv advection package input ft100.dsp dispersion package input br3d.ssm2 source-sink mixing br2d.gcg generalized conjugate gradient solver input scenario.oc output control calibrated.vdf Variable Density Flow package input non_linear.pcg PCG Solver input TOPMOD.array top altitude array THICK400.array layer thickness array THK_LAY2.array layer thickness array THICK600.array layer thickness array THK_LAY4.array layer thickness array THICK800.array layer thickness array THK_LAY6.array layer thickness array THICK1000.array layer thickness array THK_LAY8.array layer thickness array THICK1200.array layer thickness array THK_LAY10.array layer thickness array THICK1511.array layer thickness array THICK1512.array layer thickness array THICK1513.array layer thickness array THICK1514.array layer thickness array THICK1515.array layer thickness array THICK1516.array layer thickness array THICK1517.array layer thickness array THICK1518.array layer thickness array THICK1519.array layer thickness array THICK1520.array layer thickness array THK_LAY21.array layer thickness array THICK1700.array layer thickness array THK_LAY23.array layer thickness array THICK2000.array layer thickness array THK_LAY25.array layer thickness array THICK2400.array layer thickness array THK_LAY27.array layer thickness array THICK2800.array layer thickness array CONC.array starting concentration array sCONC26.array starting concentration array ICBUND.array concentration boundary array ICB26_all.array concentration boundary array ------------------------------------------------------- output/ Description: ----------- This directory contains subdirectories contining the output files for the 3 scenario simulations documented in the report, https://doi.org/10.3133/SIR20195102 Becasuse the unformatted concentration files (*.UCN) are each over 1 GB, they are not included in this archive, but may be regenerated by executing each SEAWAT simulation, as described under the "Running the Model" section, described above in this file. Output files under /output.MF-scen1 purpose ----------------- ------------------------------------------------------------- head_obs._os head-observation package output file scenario1.lst MODFLOW listing file scenario1.wel MNW2 package output equivalent well file Scenario1_EB-1293.out MNW2 package output wellbore flow file ----------------- -------------------------------------- Output files under /output.MF-scen2 purpose ----------------- ------------------------------------------------------------- scenario2.lst MODFLOW listing file scenario2.wel MNW2 package output equivalent well file Scenario2_EB-1293.out MNW2 package output wellbore flow file ----------------- -------------------------------------- Output files under /output.SEAWAT-scen1 purpose documentation ----------------- -------------------------------------- ----------------------- Scenario1.lst SEAWAT listing file Langevin and others (2003) scenario1.bhd SEAWAT binary head file Langevin and others (2003) scenario1.UCN unformatted concentration file (not included) Zheng and Wang (1999) scenario1.OBS concentration observation file Zheng and Wang (1999) scenario1.CNF transport model configuation file Zheng and Wang (1999) scenario1.MAS transport model mass file Zheng and Wang (1999) ----------------- -------------------------------------- Output files under /output.SEAWAT-scen2 purpose documentation ----------------- -------------------------------------- ----------------------- Scenario2.lst SEAWAT listing file Langevin and others (2003) scenario2.bhd SEAWAT binary head file Langevin and others (2003) scenario2.UCN unformatted concentration file (not included) Zheng and Wang (1999) scenario2.OBS concentration observation file Zheng and Wang (1999) scenario2.CNF transport model configuation file Zheng and Wang (1999) scenario2.MAS transport model mass file Zheng and Wang (1999) ----------------- -------------------------------------- Output files under /output.SEAWAT-scen3 purpose documentation ----------------- -------------------------------------- ----------------------- Scenario3.lst SEAWAT listing file Langevin and others (2003) scenario3.bhd SEAWAT binary head file Langevin and others (2003) scenario3.UCN unformatted concentration file (not included) Zheng and Wang (1999) scenario3.OBS concentration observation file Zheng and Wang (1999) scenario3.CNF transport model configuation file Zheng and Wang (1999) scenario3.MAS transport model mass file Zheng and Wang (1999) ----------------- -------------------------------------- source/ Description: ----------- This directory contains the complete directories for the MODFLOW-2005, PEST++ and SEAWAT programs that were distributed by the USGS WRD and utilized for this project. Documentation, binary executables, ASCII source codes, and example problems are incuded or each of these programs, and are documeted in readme files in each directory. These directories are included in this archive to assist future users in the event that the USGS ceases to distribute legacy software at some future date. Directories: ----- MF2005.1_12/ : MODFLOW-2005 version utilized for this study. swt_v4_00_05/ : SEAWAT version utilized for this study. PEST++/ : PEST++ version utilized for this study. REFERENCES Harbaugh, A.W., 2005, MODFLOW-2005, the U.S. Geological Survey modular groundwater model the Groundwater Flow Process: U.S. Geological Survey Techniques and Methods 6-A16, var. p. Heywood, C.E., Lindaman, M, and Lovelace, J., 2019, Simulation of Groundwater Flow and Chloride Transport in the “1,500-Foot”, “2,400-Foot”, and “2,800-Foot” Sands of the Baton Rouge Area, Louisiana, U.S. Geological Survey Scientific Investigation Report 19-5102, XX p. Konikow, L.F., Hornberger, G.Z., Halford, K.J., and Hanson, R.T., 2009, Revised multi-node well (MNW2) package for MODFLOW ground-water flow model: U.S. Geological Survey Techniques and Methods 6–A30, 67 p. Langevin, C.D., Shoemaker, W.B., and Guo, W., 2003, MODFLOW–2000, The U.S. Geological Survey modular ground-water model—Documentation of the SEAWAT–2000 version with the variable-density flow process (VDF), and the integrated MT3DMS transport process (IMT): U.S. Geological Survey Open-File Report 03–426, 43 p. Zheng, Chunmiao, and Wang, P.P., 1999, MT3DMS—A modular three-dimensional multispecies transport model for simulation of advection, dispersion and chemical reactions of contaminants in ground-water systems; documentation and user’s guide: Jacksonville, Fla., U.S. Army Corps of Engineers Contract Report SERDP-99-1, 221 p.