Geology topics

Matthew J. Tonkin

Publications and source records attributed to Matthew J. Tonkin.

7 recordsLinked to original sources

USGS2016

MT3D-USGS version 1: A U.S. Geological Survey release of MT3DMS updated with new and expanded transport capabilities for use with MODFLOW

MT3D-USGS, a U.S. Geological Survey updated release of the groundwater solute transport code MT3DMS, includes new transport modeling capabilities to accommodate flow terms calculated by MODFLOW packages that were previously unsupported by MT3DMS and to provide greater flexibility in the simulation of solute transport and reactive solute transport. Unsaturated-zone transport and transport within streams and lakes, including solute exchange with connected groundwater, are among the new capabilities included in the MT3D-USGS code. MT3D-USGS also includes the capability to route a solute through dry cells that may occur in the Newton-Raphson formulation of MODFLOW (that is, MODFLOW-NWT). New chemical reaction Package options include the ability to simulate inter-species reactions and parent-daughter chain reactions. A new pump-and-treat recirculation package enables the simulation of dynamic recirculation with or without treatment for combinations of wells that are represented in the flow model, mimicking the above-ground treatment of extracted water. A reformulation of the treatment of transient mass storage improves conservation of mass and yields solutions for better agreement with analytical benchmarks. Several additional features of MT3D-USGS are (1) the separate specification of the partitioning coefficient ( K d ) within mobile and immobile domains; (2) the capability to assign prescribed concentrations to the top-most active layer; (3) the change in mass storage owing to the change in water volume now appears as its own budget item in the global mass balance summary; (4) the ability to ignore cross-dispersion terms; (5) the definition of Hydrocarbon Spill-Source Package (HSS) mass loading zones using regular and irregular polygons, in addition to the currently supported circular zones; and (6) the ability to specify an absolute minimum thickness rather than the default percent minimum thickness in dry-cell circumstances. Benchmark problems that implement the new features and packages test the accuracy of new code through comparison to analytical benchmarks, as well as to solutions from other published codes. The input file structure for MT3D-USGS adheres to MT3DMS conventions for backward compatibility: the new capabilities and packages described herein are readily invoked by adding three-letter package name acronyms to the name file or by setting input flags as needed. Memory is managed in MT3D-USGS using FORTRAN modules in order to simplify code development and expansion.

Techniques and Methods↗

USGS2012

Approaches in highly parameterized inversion - PEST++, a Parameter ESTimation code optimized for large environmental models

An object-oriented parameter estimation code was developed to incorporate benefits of object-oriented programming techniques for solving large parameter estimation modeling problems. The code is written in C++ and is a formulation and expansion of the algorithms included in PEST, a widely used parameter estimation code written in Fortran. The new code is called PEST++ and is designed to lower the barriers of entry for users and developers while providing efficient algorithms that can accommodate large, highly parameterized problems. This effort has focused on (1) implementing the most popular features of PEST in a fashion that is easy for novice or experienced modelers to use and (2) creating a software design that is easy to extend; that is, this effort provides a documented object-oriented framework designed from the ground up to be modular and extensible. In addition, all PEST++ source code and its associated libraries, as well as the general run manager source code, have been integrated in the Microsoft Visual Studio® 2010 integrated development environment. The PEST++ code is designed to provide a foundation for an open-source development environment capable of producing robust and efficient parameter estimation tools for the environmental modeling community into the future.

Techniques and Methods↗

USGS2012

Approaches in highly parameterized inversion - GENIE, a general model-independent TCP/IP run manager

GENIE is a model-independent suite of programs that can be used to generally distribute, manage, and execute multiple model runs via the TCP/IP infrastructure. The suite consists of a file distribution interface, a run manage, a run executer, and a routine that can be compiled as part of a program and used to exchange model runs with the run manager. Because communication is via a standard protocol (TCP/IP), any computer connected to the Internet can serve in any of the capacities offered by this suite. Model independence is consistent with the existing template and instruction file protocols of the widely used PEST parameter estimation program. This report describes (1) the problem addressed; (2) the approach used by GENIE to queue, distribute, and retrieve model runs; and (3) user instructions, classes, and functions developed. It also includes (4) an example to illustrate the linking of GENIE with Parallel PEST using the interface routine.

Techniques and Methods↗

USGS2012

Approaches in highly parameterized inversion-PESTCommander, a graphical user interface for file and run management across networks

Models of environmental systems have become increasingly complex, incorporating increasingly large numbers of parameters in an effort to represent physical processes on a scale approaching that at which they occur in nature. Consequently, the inverse problem of parameter estimation (specifically, model calibration) and subsequent uncertainty analysis have become increasingly computation-intensive endeavors. Fortunately, advances in computing have made computational power equivalent to that of dozens to hundreds of desktop computers accessible through a variety of alternate means: modelers have various possibilities, ranging from traditional Local Area Networks (LANs) to cloud computing. Commonly used parameter estimation software is well suited to take advantage of the availability of such increased computing power. Unfortunately, logistical issues become increasingly important as an increasing number and variety of computers are brought to bear on the inverse problem. To facilitate efficient access to disparate computer resources, the PESTCommander program documented herein has been developed to provide a Graphical User Interface (GUI) that facilitates the management of model files ("file management") and remote launching and termination of "slave" computers across a distributed network of computers ("run management"). In version 1.0 described here, PESTCommander can access and ascertain resources across traditional Windows LANs: however, the architecture of PESTCommander has been developed with the intent that future releases will be able to access computing resources (1) via trusted domains established in Wide Area Networks (WANs) in multiple remote locations and (2) via heterogeneous networks of Windows- and Unix-based operating systems. The design of PESTCommander also makes it suitable for extension to other computational resources, such as those that are available via cloud computing. Version 1.0 of PESTCommander was developed primarily to work with the parameter estimation software PEST; the discussion presented in this report focuses on the use of the PESTCommander together with Parallel PEST. However, PESTCommander can be used with a wide variety of programs and models that require management, distribution, and cleanup of files before or after model execution. In addition to its use with the Parallel PEST program suite, discussion is also included in this report regarding the use of PESTCommander with the Global Run Manager GENIE, which was developed simultaneously with PESTCommander.

Techniques and Methods↗

USGS2010

Using a cloud to replenish parched groundwater modeling efforts

Groundwater models can be improved by introduction of additional parameter flexibility and simultaneous use of soft-knowledge. However, these sophisticated approaches have high computational requirements. Cloud computing provides unprecedented access to computing power via the Internet to facilitate the use of these techniques. A modeler can create, launch, and terminate “virtual” computers as needed, paying by the hour, and save machine images for future use. Such cost-effective and flexible computing power empowers groundwater modelers to routinely perform model calibration and uncertainty analysis in ways not previously possible.

Ground Water↗

USGS2010

Approaches to highly parameterized inversion: A guide to using PEST for model-parameter and predictive-uncertainty analysis

Analysis of the uncertainty associated with parameters used by a numerical model, and with predictions that depend on those parameters, is fundamental to the use of modeling in support of decisionmaking. Unfortunately, predictive uncertainty analysis with regard to models can be very computationally demanding, due in part to complex constraints on parameters that arise from expert knowledge of system properties on the one hand (knowledge constraints) and from the necessity for the model parameters to assume values that allow the model to reproduce historical system behavior on the other hand (calibration constraints). Enforcement of knowledge and calibration constraints on parameters used by a model does not eliminate the uncertainty in those parameters. In fact, in many cases, enforcement of calibration constraints simply reduces the uncertainties associated with a number of broad-scale combinations of model parameters that collectively describe spatially averaged system properties. The uncertainties associated with other combinations of parameters, especially those that pertain to small-scale parameter heterogeneity, may not be reduced through the calibration process. To the extent that a prediction depends on system-property detail, its postcalibration variability may be reduced very little, if at all, by applying calibration constraints; knowledge constraints remain the only limits on the variability of predictions that depend on such detail. Regrettably, in many common modeling applications, these constraints are weak. Though the PEST software suite was initially developed as a tool for model calibration, recent developments have focused on the evaluation of model-parameter and predictive uncertainty. As a complement to functionality that it provides for highly parameterized inversion (calibration) by means of formal mathematical regularization techniques, the PEST suite provides utilities for linear and nonlinear error-variance and uncertainty analysis in these highly parameterized modeling contexts. Availability of these utilities is particularly important because, in many cases, a significant proportion of the uncertainty associated with model parameters-and the predictions that depend on them-arises from differences between the complex properties of the real world and the simplified representation of those properties that is expressed by the calibrated model. This report is intended to guide intermediate to advanced modelers in the use of capabilities available with the PEST suite of programs for evaluating model predictive error and uncertainty. A brief theoretical background is presented on sources of parameter and predictive uncertainty and on the means for evaluating this uncertainty. Applications of PEST tools are then discussed for overdetermined and underdetermined problems, both linear and nonlinear. PEST tools for calculating contributions to model predictive uncertainty, as well as optimization of data acquisition for reducing parameter and predictive uncertainty, are presented. The appendixes list the relevant PEST variables, files, and utilities required for the analyses described in the document.

Michigan↗

USGS2007

OPR-PPR, a computer program for assessing data importance to model predictions using linear statistics

The OPR-PPR program calculates the Observation-Prediction (OPR) and Parameter-Prediction (PPR) statistics that can be used to evaluate the relative importance of various kinds of data to simulated predictions. The data considered fall into three categories: (1) existing observations, (2) potential observations, and (3) potential information about parameters. The first two are addressed by the OPR statistic; the third is addressed by the PPR statistic. The statistics are based on linear theory and measure the leverage of the data, which depends on the location, the type, and possibly the time of the data being considered. For example, in a ground-water system the type of data might be a head measurement at a particular location and time. As a measure of leverage, the statistics do not take into account the value of the measurement. As linear measures, the OPR and PPR statistics require minimal computational effort once sensitivities have been calculated. Sensitivities need to be calculated for only one set of parameter values; commonly these are the values estimated through model calibration. OPR-PPR can calculate the OPR and PPR statistics for any mathematical model that produces the necessary OPR-PPR input files. In this report, OPR-PPR capabilities are presented in the context of using the ground-water model MODFLOW-2000 and the universal inverse program UCODE_2005. The method used to calculate the OPR and PPR statistics is based on the linear equation for prediction standard deviation. Using sensitivities and other information, OPR-PPR calculates (a) the percent increase in the prediction standard deviation that results when one or more existing observations are omitted from the calibration data set; (b) the percent decrease in the prediction standard deviation that results when one or more potential observations are added to the calibration data set; or (c) the percent decrease in the prediction standard deviation that results when potential information on one or more parameters is added.

Techniques and Methods↗