Installation guide : eigenvalue solver

ARPACK - eigenvalue solver (implicitly restarted Arnoldi method)

Installing packages in Debian,

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

  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 

  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

  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 http://trilinos.sandia.gov/download/trilinos-9.0.html and download the latest version of trilinos, e.g.

trilinos-9.0.2.tar.gz

• Extract the archive

tar xzf trilinos-9.0.2.tar.gz

• Enter the newly created directory

cd trilinos-9.0.2

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

mkdir build && cd build 

• You can compile Trilinos (i) with gcc-4 and gfortan or (ii) with gcc-3 and g77.

(i). Your default compiler is gcc-4 or you choose for it (recommended).

• 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=<i>installdir</i> --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

(ii). Your default compiler is gcc-3 or you choose for it.

• Trilinos has to use g77 (binary).
• If you use it please supplement to this Wiki documentation.
• 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':<i>installdir</i>/lib