Installation guide : eigenvalue solver

Contents

Installation guide : eigenvalue solver
1. ARPACK - eigenvalue solver (implicitly restarted Arnoldi method)
  1. Installing packages in Debian, Ubuntu
  2. Direct installation
2. Trilinos - large-scale, complex multi-physics engineering and scientific problems

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.