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Title: TOUGH3: A new efficient version of the TOUGH suite of multiphase flow and transport simulators

Abstract

The TOUGH suite of nonisothermal multiphase flow and transport simulators has been updated by various developers over many years to address a vast range of challenging subsurface problems. The increasing complexity of the simulated processes as well as the growing size of model domains that need to be handled call for an improvement in the simulator's computational robustness and efficiency. Moreover, modifications have been frequently introduced independently, resulting in multiple versions of TOUGH that (1) led to inconsistencies in feature implementation and usage, (2) made code maintenance and development inefficient, and (3) caused confusion to users and developers. TOUGH3—a new base version of TOUGH—addresses these issues. It consolidates both the serial (TOUGH2 V2.1) and parallel (TOUGH2-MP V2.0) implementations, enabling simulations to be performed on desktop computers and supercomputers using a single code. New PETSc parallel linear solvers are added to the existing serial solvers of TOUGH2 and the Aztec solver used in TOUGH2-MP. The PETSc solvers generally perform better than the Aztec solvers in parallel and the internal TOUGH3 linear solver in serial. TOUGH3 also incorporates many new features, addresses bugs, and improves the flexibility of data handling. Due to the improved capabilities and usability, TOUGH3 is more robust andmore » efficient for solving tough and computationally demanding problems in diverse scientific and practical applications related to subsurface flow modeling.« less

Authors:
 [1];  [1];  [1];  [2]
  1. Lawrence Berkeley National Laboratory. (LBNL), Berkeley, CA (United States). Earth and Environmental Sciences
  2. Virginia Polytechnic Institute and State University, Blacksburg, VA (United States). Department of Geosciences
Publication Date:
Research Org.:
Lawrence Berkeley National Laboratory, Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC).
Sponsoring Org.:
USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR) (SC-21)
OSTI Identifier:
1462534
DOE Contract Number:  
AC02-05CH11231
Resource Type:
Journal Article
Journal Name:
Computers and Geosciences
Additional Journal Information:
Journal Volume: 108; Journal Issue: C; Journal ID: ISSN 0098-3004
Publisher:
Elsevier
Country of Publication:
United States
Language:
English

Citation Formats

Jung, Yoojin, Pau, George Shu Heng, Finsterle, Stefan, and Pollyea, Ryan M. TOUGH3: A new efficient version of the TOUGH suite of multiphase flow and transport simulators. United States: N. p., 2017. Web. doi:10.1016/j.cageo.2016.09.009.
Jung, Yoojin, Pau, George Shu Heng, Finsterle, Stefan, & Pollyea, Ryan M. TOUGH3: A new efficient version of the TOUGH suite of multiphase flow and transport simulators. United States. doi:10.1016/j.cageo.2016.09.009.
Jung, Yoojin, Pau, George Shu Heng, Finsterle, Stefan, and Pollyea, Ryan M. Wed . "TOUGH3: A new efficient version of the TOUGH suite of multiphase flow and transport simulators". United States. doi:10.1016/j.cageo.2016.09.009.
@article{osti_1462534,
title = {TOUGH3: A new efficient version of the TOUGH suite of multiphase flow and transport simulators},
author = {Jung, Yoojin and Pau, George Shu Heng and Finsterle, Stefan and Pollyea, Ryan M.},
abstractNote = {The TOUGH suite of nonisothermal multiphase flow and transport simulators has been updated by various developers over many years to address a vast range of challenging subsurface problems. The increasing complexity of the simulated processes as well as the growing size of model domains that need to be handled call for an improvement in the simulator's computational robustness and efficiency. Moreover, modifications have been frequently introduced independently, resulting in multiple versions of TOUGH that (1) led to inconsistencies in feature implementation and usage, (2) made code maintenance and development inefficient, and (3) caused confusion to users and developers. TOUGH3—a new base version of TOUGH—addresses these issues. It consolidates both the serial (TOUGH2 V2.1) and parallel (TOUGH2-MP V2.0) implementations, enabling simulations to be performed on desktop computers and supercomputers using a single code. New PETSc parallel linear solvers are added to the existing serial solvers of TOUGH2 and the Aztec solver used in TOUGH2-MP. The PETSc solvers generally perform better than the Aztec solvers in parallel and the internal TOUGH3 linear solver in serial. TOUGH3 also incorporates many new features, addresses bugs, and improves the flexibility of data handling. Due to the improved capabilities and usability, TOUGH3 is more robust and efficient for solving tough and computationally demanding problems in diverse scientific and practical applications related to subsurface flow modeling.},
doi = {10.1016/j.cageo.2016.09.009},
journal = {Computers and Geosciences},
issn = {0098-3004},
number = C,
volume = 108,
place = {United States},
year = {2017},
month = {11}
}