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See discussions, stats, and author profiles for this publication at: https://www.researchgate.net/publication/242720006 iTOUGH2-GSLIB User's Guide Article · May 2012 CITATIONS 4 READS 83 2 authors: Stefan Finsterle Lawrence Berkeley National Laboratory 207 PUBLICATIONS 2,393 CITATIONS SEE PROFILE M. B. Kowalsky Lawrence Berkeley National Laboratory 75 PUBLICATIONS 1,352 CITATIONS SEE PROFILE All content following this page was uploaded by Stefan Finsterle on 15 January 2014. The user has requested enhancement of the downloaded file. All in-text references underlined in blue are added to the original document and are linked to publications on ResearchGate, letting you access and read them immediately. LBNL/Pub-3191 iTOUGH2-GSLIB User’s Guide Stefan Finsterle and Michael B. Kowalsky Earth Sciences Division Lawrence Berkeley National Laboratory University of California Berkeley, CA 94720 June 2007 This work was supported by Laboratory Directed Research and Development (LDRD) funding from Berkeley Lab, provided by the Director, Office of Science, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. iTOUGH2-GSLIB USER’S GUIDE DISCLAIMER This document was prepared as an account of work sponsored by the United States Government. While this document is believed to contain correct information, neither the United States Government nor any agency thereof, nor The Regents of the University of California, nor any of their employees, makes any warranty, express or implied, or assumes any legal responsibility for the accuracy, completeness, or usefulness of any information, apparatus, product, or process disclosed, or represents that its use would not infringe privately owned rights. Reference herein to any specific commercial product, process, or service by its trade name, trademark, manufacturer, or otherwise, does not necessarily constitute or imply its endorsement, recommendation, or favoring by the United States Government or any agency thereof, or The Regents of the University of California. The views and opinions of authors expressed herein do not necessarily state or reflect those of the United States Government or any agency thereof, or The Regents of the University of California. Ernest Orlando Lawrence Berkeley National Laboratory is an equal opportunity employer. iTOUGH2-GSLIB USER’S GUIDE iii TABLE OF CONTENTS TABLE OF CONTENTS 1. INTRODUCTION 1 2. INSTALLATION 3 3. THEORY 4 3.1 Semivariogram Models 4 3.2 Kriging 6 3.3 Geostatistical Simulation 8 3.3.1 Sequential Gaussian Simulation 8 3.3.2 Sequential Indicator Simulation 9 3.4 Pilot Point Method 10 4. INPUT FORMATS 12 4.1 Introduction 12 4.2 Conditioning Points 12 4.3 Grid Definition and Mapping 14 4.4 Input for Kriging Using GSLIB Function KTB3D 15 4.5 Input for Sequential Gaussian Simulation Using GSLIB Function SGSIM 18 4.6 Input for Sequential Indicator Simulation Using GSLIB Function SISIM 21 4.7 Estimating Geostatistical Parameters Using iTOUGH2 25 4.8 Specifying Pilot Points in iTOUGH2 25 5. EXAMPLE 26 ACKNOWLEDGMENT 38 REFERENCES 38 iTOUGH2-GSLIB USER’S GUIDE iv LIST OF FIGURES LIST OF FIGURES Figure 1. GSLIB copyright statement and disclaimer 2 Figure 2. Spatially correlated permeability field created by sequential Gaussian simulation. The fields are conditioned on permeability data along two vertical boreholes (black dots). Open circles indicate pilot points. Changing the permeability at the center pilot point affects the field in its immediate vicinity. 11 Figure 3. GSLIB block in TOUGH2 input file 13 Figure 4. Example of a file containing conditioning points in Geo-EAS format 13 Figure 5. Example of a TOUGH2 GSLIB block for kriging using KTB3D 18 Figure 6. Example of a TOUGH2 GSLIB block for sequential indicator simulation using SISIM 24 Figure 7. TOUGH2 input file (excerpt) 27 Figure 8. (a) Heterogeneous permeability field generated by GSLIB-SGSIM, (b) saturation distribution after two days of ponded infiltration; crosses indicate the location of pilot points 28 Figure 9. iTOUGH2 input file for sensitivity analysis of geostatistical parameters and pilot point values 29 Figure 10. iTOUGH2 output file 32 iTOUGH2-GSLIB USER’S GUIDE v LIST OF TABLES LIST OF TABLES Table 1. Parameters for dimensioning of GSLIB arrays (file it2gslib.inc). 3 Table 2. Parameters describing geometric orientation and anisotropy. 5 Table 3. iTOUGH2 commands for selecting geostatistical parameters. 25 iTOUGH2-GSLIB USER’S GUIDE 1 INTRODUCTION 1. INTRODUCTION iTOUGH2 (http://www-esd.lbl.gov/iTOUGH2) is a computer program for parameter estimation, sensitivity analysis, and uncertainty propagation analysis [Finsterle, 2007a, b, c]. It is based on the TOUGH2 simulator for nonisothermal multiphase flow in porous and fractured media. Most of the features of the TOUGH2 forward model used in iTOUGH2 are documented in Pruess [1991], with some added features described in Appendix A of the iTOUGH2 Command Reference [Finsterle, 2007b]. One of the added capabilities is to include heterogeneity by assigning element-specific permeabilities or permeability modifiers in block ELEME, Columns 41–50, or in block INCON.1, Columns 31–40 (see Finsterle [2007b], Appendix A.4). This approach requires that the permeability (or permeability-modifier) fields be generated externally and mapped onto the TOUGH2 mesh using some preprocessing software. This manual describes the added capability to internally generate heterogeneous, random, spatially correlated property fields (in particular heterogeneous permeability fields), and to map these fields onto the TOUGH2 mesh. The geostatistical simulation routines integrated into iTOUGH2 are taken from the widely-used Geostatistical Software Library GSLIB [Deutsch and Journel, 1992]. For this purpose geostatistical simulation routines from the widely-used Geostatistical Software Library GSLIB [Deutsch and Journel, 1992] have been integrated into iTOUGH2. The following interpolation and conditional geostatistical simulation methods are implemented: (1) GSLIB subroutine KTB3D, which allows for simple kriging, ordinary kriging, and kriging with various trend models; (2) GSLIB subroutine SGSIM, which allows for sequential Gaussian simulations; and (3) GSLIB subroutine SISIM, which allows for sequential indicator simulations. These geostatistical methods the can be used to generate permeability or permeability-modifier fields in linear or log space, conditioned on available data. The conditioning points of the geostatistical simulation can be treated as pilot points during an iTOUGH2 inversion, which allows one to adjust and identify the subsurface structure to match observed data [Kowalsky et al., 2004; 2005]. Moreover, since some of the variogram parameters used to generate these spatially correlated fields (e.g., the correlation length, anisotropy value, or variance) are now standard TOUGH2 input parameters, they can be subjected to an iTOUGH2 sensitivity analysis, automatic model calibration, and uncertainty propagation analyses [Finsterle and Kowalsky, 2007]. This manual contains installation instructions for the iTOUGH2-GSLIB module, and describes the input formats needed in iTOUGH2 to generate random fields and to perform analyses using the related parameters, as mentioned above. For the underlying theory of geostatistical simulation, the reader is referred to Deutsch and Journel [1992]. Figure 1. shows the copyright statement and disclaimer issued with the Geostatistical Software Library and reproduced in the iTOUGH2 source code. iTOUGH2-GSLIB USER’S GUIDE 2 INTRODUCTION ************************************************************************ * * * Copyright (C) 1992 Stanford Center for Reservoir Forecasting. All * * rights reserved. Distributed with: C.V. Deutsch and A.G. Journel. * * “GSLIB: Geostatistical Software Library and User's Guide,” * * Oxford University Press, New York, 1992. * * * * The programs in GSLIB are distributed in the hope that they will be * * useful, but WITHOUT ANY WARRANTY. No author or distributor accepts * * responsibility to anyone for the consequences of using them or for * * whether they serve any particular purpose or work at all, unless he * * says so in writing. Everyone is granted permission to copy, modify * * and redistribute the programs in GSLIB, but only under the condition * * that this notice and the above copyright notice remain intact. * * * ************************************************************************ Figure 1. GSLIB copyright statement and disclaimer iTOUGH2-GSLIB USER’S GUIDE 3 INSTALLATION 2. INSTALLATION Compilation and installation of iTOUGH2 is described in Section 5 of Finsterle [2007a] as well as in file read_me.txt, which is distributed with the code. To make the geostatistical library available in iTOUGH2, the following steps have to be performed: (1) Edit file it2stubs.f and rename subroutines INGSLIB, MAPGSLIB, SISIM, SGSIMM, KTB3D, and UPDATEPP (e.g., by adding an “x” at the end of the subroutine name); recompile it2stubs.f. (2) Edit file it2gslib.inc and provide maximum array dimensions (see Table 2.1). Customizing array sizes to the simulation problem helps save memory. A run-time error message will be issued if arrays are insufficiently dimensioned. (3) Compile file it2gslib.f and link it to the standard iTOUGH2 object files to create the executable. (On Unix platforms, you may edit file Makefile, assign object file it2gslib.$(EXO) to the environment variable SPECIAL, and recreate the iTOUGH2 executable either by typing make or by using the script it2make.) Table 1. Parameters for dimensioning of GSLIB arrays (file it2gslib.inc). Variable Name Description MAXX MAXY MAXZ MAXDAT MAXDT MAXCUT MAXTAB MAXSAM MAXDIS MAXNOD MAXNST MAXROT MAXCTX MAXCTY MAXCTZ MAXSBX MAXSBY MAXSBZ Maximum number of nodes in X direction Maximum number of nodes in Y direction Maximum number of nodes in Z direction Maximum number of data Maximum number of drift terms Maximum number of cutoffs Maximum number of data in tabulated values Maximum number of data for one simulation Maximum number of discretization points per block Maximum number of previously simulated nodes to use Maximum number of nested structures for variogram Maximum number of rotation matrices to store Maximum X points in covariance table (ODD number) Maximum Y uploads/s1/ itough2-gslib-user-x27-s-guide.pdf