PETSc is a software package that provides lots of functionality for linear algebra, among other things. For example, it includes implementations of a variety of linear, nonlinear and ordinary differential equation solvers, as well as various different sparse and dense matrix and vector formats. Of particular interest to deal.II is their ability to provide this functionality both on sequential and parallel (using MPI) computers.
deal.II has wrapper classes to the linear algebra parts of PETSc that provide almost the same interfaces as the built-in deal.II linear algebra classes. We use these interfaces for parallel computations based on MPI since the native deal.II linear algebra classes lack this ability. They are used, among other programs, in step-17, step-18 and step-40. See step-77 for an example that uses PETSc's nonlinear solver capabilities.
Note: deal.II is compatible with any PETSc version newer than 3.7.0. If you encounter problems with a specific version, let us know.
When you compile and install PETSc, you need to set
environment variables PETSC_DIR
and PETSC_ARCH
to a path to PETSc and denoting the architecture for which PETSc is
compiled. PETSC_ARCH
is in reality just a name you give to
your installation, it is a string you can choose however you like. The
point of it is that it allows you to have multiple possibly different
PETSc installations. A consequence of this is that you need to
let deal.II's cmake
scripts know which
one of these installations you want it to use, i.e., you need to set the
PETSC_ARCH
variable to the same value you used when you
installed PETSc. The same is true for PETSC_DIR
. You can
this via environment variables. cmake
will then also
recognize that PETSc shall be used, and enable the wrapper classes,
without you having to explicitly say that you want to use PETSc.
Alternatively, the -DPETSC_DIR=DIR
and
-DPETSC_ARCH=ARCH
options for cmake
can be used to override the values of PETSC_DIR
and PETSC_ARCH
or if these environment
variables are not set at all. If you do have a PETSc
installation and have set the PETSC_DIR
and
PETSC_ARCH
environment variables but do not wish
deal.II to be configured for PETSc use, you
should specify -DDEAL_II_WITH_PETSC=OFF
as a flag
during configuration.
Installing PETSc correctly can be a bit of a challenge. To start, take a look at the PETSc installation instructions. We have found that the following steps generally appear to work where we simply unpack and build PETSc in its final location (i.e., we do not first build and then install it into a separate directory):
tar xvzf petsc-x-y-z.tar.gz cd petsc-x-y-z export PETSC_DIR=`pwd` export PETSC_ARCH=x86_64 # or any other identifying text for your machine ./config/configure.py --with-shared=1 --with-x=0 --with-mpi=1 --download-hypre=1 make
This automatically builds PETSc with both MPI and the algebraic
multigrid preconditioner package Hypre (which we use in step-40). If you
would like to use PETSc with MPI then we recommend that you install MPI
through your package manager instead of letting PETSc install it: put
another way, installing PETSc with the flag --download-mpich
often causes problems (such as linking errors or poor performance)
that may be avoided by using whatever your system provides instead.
Now let PETSc check his own sanity:
make testwill self-check the serial (and MPI) implementation of PETSc.
export
commands into
your ~/.bashrc
or ~/.cshrc
files, with
the first one replaced by something of the kind
export PETSC_DIR=/path/to/petsc-x-y-z
By default, PETSc is compiled in "debug mode". You can switch this to "optimized mode" by adding the command line parameter
--with-debugging=0to the call of
./config/configure.py
above. In some cases,
this has made linear solvers run up to 30% faster. As with choosing
between deal.II's debug and optimized modes, you
should only use optimized PETSc builds once you have tested that your
program runs well in debug mode.