2. Compilation of TOUGH4 on Linux-like platform
On Linux-like platforms (e.g., Linux, Mac, Cygwin, and WSL on Windows), TOUGH4 provides an automatic build system that utilizes CMake (http://www.cmake.org/) and a shell script configure.sh (in the working folder ./toguh4 ). CMake uses simple configuration files placed in each source directory (the CMakeLists.txt files) to generate standard build files. Compilation of third-party solver libraries may involve complex multi-step processes. If their compilations are fully integrated into the TOUGH automatic build system, the TOUGH build process may become too complex and lack robustness. The installation of the requested linear solver libraries is required before starting TOUGH4 compilation. The following are examples for installation of PETSC and TRILINOS. Users can always find more information online for installation of these two software or other linear solver libraries that are ready for TOUGH4.
(1) Installation of PETSC
The TOUGH4 needs a newer version of PETSC. We would suggest using the newest available stable version (the newer version seems to perform better). PETSC can be installed anywhere in your computer system. We would suggest installing it in your home directory. Following several options for configuring the PETSC installation may be helpful for late TOUGH installation:
--with-debugging=0, optimized library for better performance.
--download-mpich, if no MPI installed in your computer.
--download-fblaslapack, if no BLAS and LAPACK installed in your computer. They are also required by the TRILINOS installation.
--download-hypre, HYPRE package provides some efficient preconditioners.
--with-shared-libraries=0, will build static library.
--PETSC_ARCH=arch-t3, TOUGH default arch. If you use it, you do not need to specify the PETSC_ARCH when configuring TOUGH installation.
Following are the steps for PETSC installation:
(1) Copy installation package ‘petsc-lite-3.17.0.tar.gz’ to you home directory:
(2) Unzip and untar the compressed file:
· cd ~
· tar –xf ./petsc-lite-3.17.0.tar.gz
(3) Configure and build PETSC:
· cd petsc-3.17.0
· ./configure --with-debugging=0 --download-fblaslapack --with-shared-libraries=0 --PETSC_ARCH=arch-t3 --download-hypre
· make
You need to find out the installed PETSC directory (PETSC_DIR, can be found by typing pwd in ~/petsc-3.17.0) and name of build directory (PETSC_ARCH, it is arch-t3 if you specified it as PETSC_ARCH=arch-t3 during the configuration), which are needed in TOUGH installation.
(2) Installation of TRILINOS
TRILINOS is another well-known powerful tool for solving linear equations. Users can download it from github. Following are the steps for installation of TRILINOS:
(1) Unzip the downloaded package into folder ~/Trilinos-master
(2) Create a folder named “build” inside the ~/Trilinos-master
(3) cd ~/Trilinos-master/build, then type:
cmake \
-DTrilinos_ENABLE_Epetra=ON \
-DTrilinos_ENABLE_Ifpack=ON \
-DTrilinos_ENABLE_AztecOO=ON \
-DTrilinos_ENABLE_Teuchos=ON \
-DTrilinos_ENABLE_ML=ON \
-DTrilinos_VERBOSE_CONFIGURE=OFF \
-DTPL_ENABLE_MPI=ON \
-DBUILD_SHARED_LIBS=OFF \
-D Trilinos_ENABLE_OpenMP=ON \
-DCMAKE_VERBOSE_MAKEFILE=OFF \
-D TPL_ENABLE_MKL=OFF \
-D MKL_LIBRARY_DIRS="$MKL_LIB/intel64" \
-D TPL_ENABLE_BLAS=ON \
-D TPL_ENABLE_LAPACK=ON \
-DTPL_BLAS_LIBRARIES="~ /petsc-3.8.4/arch-linux2-c-opt/lib/libfblas.a" \
-DTPL_LAPACK_LIBRARIES="~/petsc-3.8.4/arch-linux2-c-opt/lib/libflapack.a" \
-DCMAKE_BUILD_TYPE=RELEASE \
-DCMAKE_INSTALL_PREFIX:PATH="../" \
../
The above lines are the parameters for cmake. It is required to input as one execution command. A simple way for users is to copy the whole chuck of the lines and then paste them to the Linux command line. For user convenience, a batch file (cmake_trilinos) is provided for executing this command in the TOUGH installation package. It is important to note that the parameters TPL_BLAS_LIBRARIES and TPL_LAPACK_LIBRARIES must be changed to the directories where libfblas.a and libflapack.a are located in your computer (if you installed the PETSC successfully, you may find these two files in the /lib directory). The two .a files are the compiled BLAS and LAPACK static library files.
(4) make –jn
n is the number of computing cores that will be used for the compilation. It should not be more than the number of cores that the working computer has.
(5) make install
If for some reason the compilation of TRILINOS is fail. You need delete the “build” folder and repeat the steps 2-5.
Once the installation of requested linear solvers is ready, the build of TOUGH4 is straightforward. Compilation and installation can be done by running the configure.sh script. If the PETSC is requested, two parameters, petsc-dir and petsc-arch must be provided. The parameter petsc-dir specifies the installed PETSC directory and petsc-arch gives the build name. The build name is the name of PETSC build directory. The default PETSC build directory can be found in the PETSC installation directory (see Figure 6).
If other solvers are requested, their installation directories must be provided through “dir” parameter, e.g the Trilinos, --trilinos-dir. Other directories for requested libraries can be inputted in the similar way, e,g, --opencl-dir provides the directory where the OPENCL library (libOpenCL.so) is located.
Following gives the examples of different installation options:
(1) For installation with only default linear solvers (AMGCL and/or VIENNACL)
./configure.sh --build-type=RELEASE --no-x11
(2) For installation with PETSC and TRILINOS linear solvers
./configure.sh --build-type=RELEASE --no-x11 --petsc-dir=$PETSC-DIR --petsc-arch=$PETSC-ARCH --trilinos-dir=$TRILINOS-DIR, such as:
./configure.sh --build-type=RELEASE --no-x11 --petsc-dir=/home/keniz/petsc-3.17.0 --trilinos-dir=/home/keniz/Trilinos-master
(3) For installation including VIENNACL linear solver with OPENCL (GPU) support.
./configure.sh --build-type=RELEASE --no-x11 –opencl-dir=$OPENCL-DIR
If you use arch-t3 as the build name during installation of PETSC, you do not need specifying --petsc-arch parameter. The installation options must be consistent with the definition in “toughSetUp.fi”. For example, if you designed in “toughSetUp.fi” to include the Trilinos in the TOUGH executable, but do not provide correct --trilinos-dir during compilation, the compilation will fail.
A list of available options can be displayed by executing “./configure.sh --help”. If TOUGH4 is successfully built, an executable named toughv4 will be created in the folder install/bin.
Last updated
