Installation guide : eigenvalue solver

ARPACK - eigenvalue solver (implicitly restarted Arnoldi method)

Installing packages in Debian, Ubuntu

For the Linux distributions Debian or Ubuntu install the package libarpack2-dev using the packet manager.

Important: Make sure that the library libarpack.so or libarpack.a is installed into /usr/lib or /usr/lib64. Otherwise specify the path ARPACK_PATH in $(CONCEPTS_DEV)/boost-build-modules.jam. Note that the library needs to have exactly the name as given above. If it should have a suffix with the version number for example, you have to create a symbolic link.

Direct installation

• Download ARPACK from http://www.caam.rice.edu/software/ARPACK, e.g.

  cd /scratch/kersten
  wget http://www.caam.rice.edu/software/ARPACK/SRC/arpack96.tar.gz
  tar -xzf arpack96.tar.gz
  wget http://www.caam.rice.edu/software/ARPACK/SRC/patch.tar.gz
  tar -xzf patch.tar.gz

• Edit ARmake.inc and change to (paths might have to be adjusted)

  home = /scratch/kersten/ARPACK
  BLASdir = /usr/lib
  LAPACKdir = /usr/lib
  LAPACKLIB = /usr/lib
  BLASLIB = /usr/lib
  FC = gfortran
  FFLAGS = -O3 -funroll-all-loops -ffast-math -fPIC
  MAKE = make

  Also replace g77-3.4.5 with your version of the Fortran compiler. The last two changes may not be necessary on some machines.

• Call make all.

• Recompile Concepts using bjam. Now you should read something like Activating support for eigenvalue solver Arpack.

Trilinos - large-scale, complex multi-physics engineering and scientific problems

Concepts uses Trilinos for Anasazi, a versatile eigenvalue solver.

• Go to https://github.com/trilinos/Trilinos/releases and download the latest version of trilinos, e.g. sandia-approved-191218-1689.tar.gz

• Extract the archive using tar xzf sandia-approved-191218-1689.tar.gz

• Enter the newly created directory using cd sandia-approved-191218-1689

• It is recommended to create an empty subdirectory for each build mkdir build && cd build

• You should define the following environment variables, here the example of bash shell:

  export CC="gcc-4.1.2"
  export CXX="g++-4.1.2"
  export CXXFLAGS="-fPIC -O3 -fomit-frame-pointer -g"
  export CFLAGS="-fPIC -O3 -fomit-frame-pointer -g"
  export LDFLAGS="-fPIC"

• Trilinos has to use gfortran (binary) which is often part of the gcc package.

• If both gfortran and g77 are installed, Trilinos need a bit of help to use it and not the possibly also existing g77. For bash shells, this can be done with export F77="gfortran-4.1.2"

• Call the configure script (located in the parent directory)

  ../configure --prefix=installdir --with-gnumake --enable-anasazi --enable-epetra --enable-teuchos --enable-triutils --enable-didasko --enable-shared --cache-file=config.cache

• Without gnumake flag the makefile are really awkward.
• The other flags are needed to install by Anasazi required packages.

• The output of configure should then include: (and not g77 or any compiler you do not want to use, see page 19 in the Trilinos user guide for more flags)

  checking whether g++-4.1.2 accepts -g... yes
  checking whether gfortran-4.1.2 accepts -g... yes

• Start building Trilinos via make && sudo make install

• Go to $(CONCEPTS_DEV)/eigensolver/anasazi, execute bjam, the build should now succeed.

• Complete the environment variable LD_LIBRARY_PATH such that the shared libraries will be found, e.g. for bash shells export LD_LIBRARY_PATH=$LD_LIBRARY_PATH':installdir/lib.