Installation guides

Installation Guide

This page contains instructions for building Tramonto 4.0. Click the following links for archived build instructions: Tramonto v3.x. Click on a link below for printer-friendly Tramonto installation guides:

Tramonto v4.0

Tramonto v3.x

# Tramonto: A molecular theory code for structured and uniform fluids # Copyright (2006) Sandia Corporation # # Under terms of Contract DE-AC04-94AL85000, there is a non-exclusive # license for use of this work by or on behalf of the U.S. Government. # # This library is free software; you can redistribute it and/or # modify it under the terms of the GNU Lesser General Public License # as published by the Free Software Foundation; either version 2.1 # of the License, or (at your option) any later version. # # This library is distributed in the hope that it will be useful, # but WITHOUT ANY WARRANTY; without even the implied warranty of # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the # GNU Lesser General Public License for more details. # # You should have received a copy of the GNU Lesser General Public # License along with this library; if not, write to the Free Software # Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA # 02110-1301, USA.

                     How to Build Tramonto 4.0

Note:

  When accessing these instructions from the website, it is a good idea
  to verify that you have the version of the instructions that corresponds
  to your version of Tramonto.  The correct version of the instructions can
  always be found in the README file in the top level directory of a Tramonto
  tarball, or a checked out copy of the Tramonto source code repository.

Contents: Prerequisites Building Trilinos Building Tramonto Building Trilinos and Tramonto on Windows Using Visual Studio

Prerequisites:

  Tramonto depends on a number of other software packages.  Below is a
  list of the required packages and links from which you can download
  any packages that are not available on your system.  There is a good
  chance that BLAS, LAPACK and an MPI implementation are already installed
  on your system.  It is especially important to have a BLAS library that
  is optimized for your machine.  

      Package                       Web Reference
      BLAS                       http://www.netlib.org
      LAPACK                     http://www.netlib.org
      MPI                        http://www-unix.mcs.anl.gov/mpi/mpich2
                                 http://www.open-mpi.org
      Trilinos (10.12.2)         https://trilinos.github.io/download-older.html

  While BLAS, LAPACK and MPI could be available on your system, you will
  most likely have to build Trilinos yourself.  Trilinos contains several
  packages of which Tramonto requires amesos, aztecoo, triutils, ifpack,
  epetraext, epetra, loca, ml, nox, and teuchos.

  Trilinos has a webpage for new users available at
  https://trilinos.github.io/getting_started.html.
  Below you will find a brief set of instructions that focus on building
  Trilinos for use with Tramonto.  If these instructions prove insufficient,
  please visit the website listed above.

Building Trilinos:

  As of April 2010, Tramonto requires Trilinos version 10.2.0 or later.

  Trilinos can be downloaded from the the Trilinos home page listed above.
  There are many options available in configuring Trilinos, some of the
  most important one are:

  CMAKE_INSTALL_PREFIX:PATH=

      This option specifies where to install Trilinos.  For example,
      CMAKE_INSTALL_PREFIX:PATH=/path/TrilinosInstall will install Trilinos
      libraries in /path/TrilinosInstall/lib and Trilinos header files in
      /path/TrilinosInstall/include.

  TPL_ENABLE_MPI:BOOL=ON

      This option indicates that a parallel, rather than serial,
      version of Trilinos should be built.

  DMPI_BASE_DIR:PATH=

      Use this option to specify the base installation directory for MPI.
      In many cases when using a standard setup, this is not necessary,
      but the option is useful when a machine contains multiple mpi
      installations, or mpi is installed in a non-standard location.  If
      /path is the base installation directory, /path/include contains mpi.h,
      /path/lib includes the mpi libraries, and /path/bin contains mpiexec
      (or equivalent mpi executable).

  TPL_BLAS_LIBRARIES:STRING=
  TPL_LAPACK_LIBRARIES:SRING=

      These options are used to specify the names or locations of the BLAS
      and LAPACK libraries.  If the options are not specified, Trilinos
      will attempt to find BLAS and LAPACK.  Again, it is best to
      explicitly list the libraries you want to use if there are
      multiple libraries available on your machine.  Example usage:
      TPL_BLAS_LIBRARIES:STRING="-lcblas;-lf77blas;-latlas;-lgfortran" or
      TPL_BLAS_LIBRARIES:STRING=/usr/lib64/libblas.so and
      TPL_LAPACK_LIBRARIES:STRING=/usr/lib64/liblapack.so

  Trilinos_ENABLE_ALL_PACKAGES:BOOL=OFF
  Trilinos_ENABLE_<package>:BOOL=ON

      The best way to build only the packages that Tramonto uses is to use
      the Trilinos_ENABLE_ALL_PACKAGES:BOOL=OFF option in conjunction with
      a Trilinos_ENABLE_<package>:BOOL=ON option for each required
      Trilinos package.  For example Trilinos_ENABLE_AztecOO:BOOL=ON, etc.
      Note that it is not necessary to disable all of the packages that
      Tramonto does not use; this is especially useful when building Tramonto
      on a machine that has a pre-installed version of Trilinos.  It can be
      helpful to disable unneeded packages to make it easier and faster to
      build Trilinos.

  Below are examples of ways to properly configure Trilinos.  You can find
  more examples in the "sampleScripts" directory in the Trilinos
  distribution.  The configure command points up one directory because the
  preferred directory structure for building Trilinos has separate build and
  source trees.  For example, for a build tree named "TramontoInstall",
  from the top-level Trilinos directory, type "mkdir TramontoInstall",
  then "cd TramontoInstall", and finally provide the proper configure
  arguments.  Some users prefer for the build tree to be a peer to the
  top-level Trilinos directory.  The source tree can be in any arbitrary
  location; the last argument in the configuration command simply has to
  point to the source tree with an absolute or relative path.  Often it is
  convenient to create a script (like those in the sampleScripts directory
  mentioned above) in the build directory and then simply source the script.
  If a separate build tree is not used, the configure process will terminate
  with an error.

  Linux
   cmake \
   -DTPL_ENABLE_MPI:BOOL=ON \
   -DTrilinos_ENABLE_ALL_PACKAGES:BOOL=OFF \
   -DTrilinos_ENABLE_ALL_OPTIONAL_PACKAGES:BOOL=OFF \
   -DTrilinos_ENABLE_Amesos:BOOL=ON \
   -DTrilinos_ENABLE_AztecOO:BOOL=ON \
   -DTrilinos_ENABLE_Triutils:BOOL=ON \
   -DTrilinos_ENABLE_Ifpack:BOOL=ON \
   -DTrilinos_ENABLE_EpetraExt:BOOL=ON \
   -DTrilinos_ENABLE_Epetra:BOOL=ON \
   -DNOX_ENABLE_LOCA:BOOL=ON \
   -DTrilinos_ENABLE_ML:BOOL=ON \
   -DTrilinos_ENABLE_NOX:BOOL=ON \
   -DTrilinos_ENABLE_Teuchos:BOOL=ON \
   -DTrilinos_ENABLE_TESTS:BOOL=ON \
   -DCMAKE_CXX_FLAGS:STRING="-O3" \
   -DCMAKE_C_FLAGS:STRING="-O3" \
   -DCMAKE_Fortran_FLAGS:STRING="-O5" \
   -DTPL_BLAS_LIBRARIES:STRING="-lcblas;-lf77blas;-latlas;-lgfortran" \
   -DCMAKE_INSTALL_PREFIX:PATH=/home/jmwille/TramontoTestHarness/Tri10.2 \
   ..

  Mac OSX
   cmake \
   -DTrilinos_ENABLE_ALL_PACKAGES:BOOL=OFF \
   -DTrilinos_ENABLE_ALL_OPTIONAL_PACKAGES:BOOL=OFF \
   -DTPL_ENABLE_MPI:BOOL=ON \
   -DTrilinos_ENABLE_Amesos:BOOL=ON \
   -DTrilinos_ENABLE_AztecOO:BOOL=ON \
   -DTrilinos_ENABLE_Triutils:BOOL=ON \
   -DTrilinos_ENABLE_Ifpack:BOOL=ON \
   -DTrilinos_ENABLE_EpetraExt:BOOL=ON \
   -DTrilinos_ENABLE_Epetra:BOOL=ON \
   -DNOX_ENABLE_LOCA:BOOL=ON \
   -DTrilinos_ENABLE_ML:BOOL=ON \
   -DTrilinos_ENABLE_NOX:BOOL=ON \
   -DTrilinos_ENABLE_Teuchos:BOOL=ON \
   -DTrilinos_ENABLE_TESTS:BOOL=ON \
   -DCMAKE_CXX_FLAGS:STRING="-O3" \
   -DCMAKE_C_FLAGS:STRING="-O3" \
   -DCMAKE_Fortran_FLAGS:STRING="-O5" \
   -DMPI_BASE_DIR:PATH=/Users/jmwille/install \
   -DCMAKE_INSTALL_PREFIX:PATH=/Users/jmwille/TramontoTestHarness/Tri10.2 \
   ..

  Once you have configured Trilinos, build it by typing "make".  
  This will build the libraries, tests (if Trilinos_ENABLE_TESTS:BOOL=ON),
  and examples for the packages that were enabled at configure time.  If
  the tests were compiled, a test suite can be run by typing "ctest".
  Finally, install Trilinos using "make install".

Building Tramonto:

  Once Trilinos has been built, building Tramonto tends to be
  straightforward because most of the options that were used to build
  Trilinos can be used automatically to build Tramonto.  As with Trilinos,
  it is necessary to configure and then build Tramonto.  Since
  Tramonto produces only a single executable, there is no need to
  install it and at this time there is not a make target for testing.

  To configure Tramonto, it is necessary to indicate the location of the
  installed Trilinos libraries and header files.  This can be done using the
  TRILINOS_PATH option.  This option points to the base of the installed
  version of Trilinos.  For example, if Trilinos is configured with
  CMAKE_INSTALL_PREFIX:PATH=/Users/jmwille/TramontoTestHarness/Tri10.2, use

  -DTRILINOS_PATH:PATH=/Users/jmwille/TramontoTestHarness/Tri10.2

  Beginning with Trilinos 10.7, it is also possible to use the standard
  CMake option CMAKE_PREFIX_PATH:

  -DCMAKE_PREFIX_PATH:PATH=/Users/jmwille/TramontoTestHarness/Tri10.7

  Below are Tramonto configure invocations that correspond to the
  above Trilinos configure invocations.  These, as well as other,
  scripts can be found in the directory "sampleConfigs" in the Tramonto
  distribution.  Note that using a separate build tree is again
  required, as discussed in the Building Trilinos section.

  Linux
   cmake \
   -DTRILINOS_PATH=/home/jmwille/TramontoTestHarness/Tri10.2 \
   ..

  Mac OS X
   cmake \
   -DTRILINOS_PATH=/Users/jmwille/TramontoTestHarness/Tri10.2 \
   ..

  Once the configure script completes, you can type "make" to
  build Tramonto. After make finishes, the Tramonto  binary, "dft_exec"
  can optionally be copied to a more convenient location.

Building Trilinos and Tramonto on Windows Using Visual Studio

  Beginning with Tramonto 4.0, it is possible to build Tramonto on Windows
  using Microsoft Visual Studio.  The below instructions assume some
  familiarity with Visual Studio.  The Windows build process is not as
  polished as the process for Linux or Mac.  Feedback for building on
  Windows, including improvements or additions for the information below
  can be sent to tramonto-help@software.sandia.gov.

  1\.  Install CMake, CLAPACK (or other BLAS & LAPACK implementations), and
      MPICH2 (or another MPI implementation)

    CMake: http://www.cmake.org/cmake/resources/software.html

      Download the latest 32-bit Windows installer (even if using a 64-bit
      machine.  Follow the instructions for the self-extracting installer.

    CLAPACK: http://www.netlib.org/clapack

      Download the latest Visual Studio prebuilt zip file.  Extract the
      contents of the zip file and note the directory where CLAPACK was
      extracted.  Alternatively, use the CMake-aware version and build
      (and optionally install) CLAPACK through visual studio.

    MPICH2: http://www.mcs.anl.gov/research/projects/mpich2/downloads/index.php?s=downloads

      Download the latest Windows installer from the above website.  Follow
      the instructions for the self-extracting installer.

  2\.  Build Trilinos

      Open the CMake GUI, select Trilinos source and build trees.  Configure
      once.

      Set the following variables (Note that safety and clarity were the
      primary considerations for these instructions, not efficiency):

      TPL_ENABLE_MPI -> ON
      Trilinos_ENABLE_ALL_PACKAGES -> Leave box unchecked
      Trilinos_ENABLE_ALL_OPTIONAL_PACKAGES -> Uncheck box
      Trilinos_ENABLE_Amesos -> ON
      Trilinos_ENABLE_AztecOO -> ON
      Trilinos_ENABLE_Triutils -> ON
      Trilinos_ENABLE_Ifpack -> ON
      Trilinos_ENABLE_EpetraExt -> ON
      Trilinos_ENABLE_Epetra -> ON
      Trilinos_ENABLE_ML -> ON
      Trilinos_ENABLE_NOX -> ON
      Trilinos_ENABLE_Teuchos -> ON
      TPL_ENABLE_BLAS -> ON
      TPL_ENABLE_LAPACK -> ON
      CMAKE_INSTALL_PREFIX -> Set to Trilinos installation path

      Configure again, switch to "Advanced View"

      MPI_BASE_DIR -> Set to top level of MPI installation
          (ex C:/Program Files/MPICH2)
      TPL_BLAS_LIBRARIES -> Set to find BLAS
          (ex (this is all one line) - C:/Program Files/CLAPACK 3.2.1/lib/
           blas.lib;C:/Program Files/CLAPACK 3.2.1/lib/libf2c.lib )

      configure again

      TPL_LAPACK_LIBRARIES -> Set to find LAPACK
          (ex C:/Program Files/CLAPACK 3.2.1/lib/lapack.lib )

      configure again
      configure again
      generate

      Open the 'Trilinos.snl' file created during the generation process
      from the 'File' menu in Visual Studio.  Right click on Solution
      'Trilinos' and click 'Build Solution'.

  3\.  Build Tramonto

      Next, open the CMake GUI again.  Select Tramonto source and build trees.
      Configure once.

      Trilinos_DIR -> delete the pre-filled value (if applicable)
      TRILINOS_PATH -> Set to the same value used for CMAKE_INSTALL_PREFIX
      for Trilinos.

      configure again
      generate

      Open the 'Tramonto.snl' file created during the generation process from
      the 'File' menu in Visual Studio.  Right click on Solution 'Tramonto'
      and click 'Build Solution'.

  Notes for Windows build:

      - These instructions were created using Microsoft Visual Studio 2008.

      - Depending on the version of Trilinos used, the ML build may fail with
        an error indicating that 'unistd.h' cannot be found.  Remove the
        reference to this file from 'ml_utils.h' and build again.

      - If the Tramonto build fails with an error indicating that LAPACK or
        BLAS cannot be found, do the following inside Visual Studio:

          Right-click the dft_exec target -> properties
          Under the C/C++ tab, add to the additional include directories the
          proper directories for the lapack and blas header files.

          Under the Linker tab, add to the additional library directories the
          proper directories for the lapack and blas library files.

          Under Linker->Input, add lapack.lib, blas.lib, and (if using
          clapack) libf2c.lib to the additional dependencies list.

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