\section{Configuring and Building AMG4PSBLAS\label{sec:building}} \markboth{\textsc{AMG4PSBLAS User's and Reference Guide}} {\textsc{\ref{sec:building} Configuring and Building AMG4PSBLAS}} In order to build AMG4PSBLAS it is necessary to set up a Makefile with appropriate system-dependent variables; this is done by means of the \verb|configure| script. The distribution also includes the autoconf and automake sources employed to generate the script, but usually this is not needed to build the software. AMG4PSBLAS is implemented almost entirely in Fortran~2003, with some interfaces to external libraries in C; the Fortran compiler must support the Fortran~2003 standard plus the extension \verb|MOLD=| feature, which enhances the usability of \verb|ALLOCATE|. Many compilers do this; in particular, this is supported by the GNU Fortran compiler, for which we recommend to use at least version 4.8. The software defines data types and interfaces for real and complex data, in both single and double precision. Building AMG4PSBLAS requires some base libraries (see Section~\ref{sec:prerequisites}); interfaces to optional third-party libraries, which extend the functionalities of AMG4PSBLAS (see Section~\ref{sec:third-party}), are also available. Many Linux distributions (e.g., Ubuntu, Fedora, CentOS) provide precompiled packages for the prerequisite and optional software. In many cases these packages are split between a runtime part and a ``developer'' part; in order to build AMG4PSBLAS you need both. A description of the base and optional software used by AMG4PSBLAS is given in the next sections. \subsection{Prerequisites\label{sec:prerequisites}} The following base libraries are needed: \begin{description} \item[BLAS] \cite{blas3,blas2,blas1} Many vendors provide optimized versions of BLAS; if no vendor version is available for a given platform, the ATLAS software (\href{http://math-atlas.sourceforge.net}{math-atlas.sourceforge .net}) may be employed. The reference BLAS from Netlib (\href{http://www.netlib.org/blas}{www.netlib.org/blas}) are meant to define the standard behaviour of the BLAS interface, so they are not optimized for any particular platform, and should only be used as a last resort. Note that BLAS computations form a relatively small part of the AMG4PSBLAS/PSBLAS computations; they are however critical when using preconditioners based on MUMPS, UMFPACK or SuperLU third party libraries. Note that UMFPACK requires a full LAPACK library; our experience is that configuring ATLAS for building full LAPACK does not work in the correct way. Our advice is first to download the LAPACK tarfile from \href{http://www.netlib.org/lapack}{www.netlib.org/lapack} and install it independently of ATLAS. In this case, you need to modify the OPTS and NOOPT definitions for including -fPIC compilation option in the make.inc file of the LAPACK library. \item[MPI] \cite{MPI2,MPI1} A version of MPI is available on most high-performance computing systems. \item[PSBLAS] \cite{PSBLASGUIDE,psblas_00} Parallel Sparse BLAS (PSBLAS) is available from \href{https://psctoolkit.github.io/products/psblas/}{psctoolkit.github.io/ products/psblas/}; version 3.7.0 (or later) is required. Indeed, all the prerequisites listed so far are also prerequisites of PSBLAS. \end{description} Please note that the four previous libraries must have Fortran interfaces compatible with AMG4PSBLAS; usually this means that they should all be built with the same compiler as AMG4PSBLAS. \subsection{Optional third party libraries\label{sec:third-party}} We provide interfaces to the following third-party software libraries; note that these are optional, but if you enable them some defaults for multilevel preconditioners may change to reflect their presence. \begin{description} \item[UMFPACK] \cite{UMFPACK} A sparse LU factorization package included in the SuiteSparse library, available from \url{faculty.cse.tamu.edu/davis/suitesparse.html}; it provides sequential factorization and triangular system solution for double precision real and complex data. We tested version 4.5.4 of SuiteSparse. Note that for configuring SuiteSparse you should provide the right path to the BLAS and LAPACK libraries in the \verb|SuiteSparse_config/SuiteSparse_config.mk| file. \item[MUMPS] \cite{MUMPS} A sparse LU factorization package available from \url{mumps.enseeiht.fr}; it provides sequential and parallel factorizations and triangular system solution for single and double precision, real and complex data. We tested versions 4.10.0 and 5.0.1. \item[SuperLU] \cite{SUPERLU} A sparse LU factorization package available from \url{crd.lbl.gov/~xiaoye/SuperLU/}; it provides sequential factorization and triangular system solution for single and double precision, real and complex data. We tested versions 4.3 and 5.0. If you installed BLAS from ATLAS, remember to define the BLASLIB variable in the make.inc file. \item[SuperLU\_Dist] \cite{SUPERLUDIST} A sparse LU factorization package available from the same site as SuperLU; it provides parallel factorization and triangular system solution for double precision real and complex data. We tested versions 3.3 and 4.2. If you installed BLAS from ATLAS, remember to define the BLASLIB variable in the make.inc file and to add the \verb|-std=c99| option to the C compiler options. Note that this library requires the ParMETIS library for parallel graph partitioning and fill-reducing matrix ordering, available from \url{glaros.dtc.umn.edu/gkhome/metis/parmetis/overview}. \end{description} \subsection{Configuration options} In order to build AMG4PSBLAS, the first step is to use the \verb|configure| script in the main directory to generate the necessary makefile. %\textbf{Sono necessarie le parentesi intorno a s?} \textbf{DA RISCRIVERE} As a minimal example consider the following: \begin{verbatim} ./configure --with-psblas=PSB-INSTALL-DIR \end{verbatim} which assumes that the various MPI compilers and support libraries are available in the standard directories on the system, and specifies only the PSBLAS install directory (note that the latter directory must be specified with an {\em absolute} path). The full set of options may be looked at by issuing the command \verb|./configure --help|, which produces: \ifpdf \inputminted[breaklines=true,bgcolor=bg,fontsize=\small]{console}{../configureout.txt} \else \lstinputlisting{../configureout.txt} \fi For instance, if a user has built and installed PSBLAS 3.7 under the \verb|/opt| directory and is using the SuiteSparse package (which includes UMFPACK), then AMG4PSBLAS might be configured with: \ifpdf \begin{minted}[breaklines=true,bgcolor=bg,fontsize=\small]{console} ./configure --with-psblas=/opt/psblas-3.5/ --with-umfpackincdir=/usr/include/suitesparse/ \end{minted} \else \begin{verbatim} ./configure --with-psblas=/opt/psblas-3.5/ \ --with-umfpackincdir=/usr/include/suitesparse/ \end{verbatim} \fi Once the configure script has completed execution, it will have generated the file \verb|Make.inc| which will then be used by all Makefiles in the directory tree; this file will be copied in the install directory under the name \verb|Make.inc.AMG4PSBLAS|. To use the MUMPS solver package, the user has to add the appropriate options to the configure script; by default we are looking for the libraries \verb|-ldmumps -lsmumps| \verb| -lzmumps -lcmumps -mumps_common -lpord|. MUMPS often uses additional packages such as ScaLAPACK, ParMETIS, SCOTCH, as well as enabling OpenMP; in such cases it is necessary to add linker options with the \verb|--with-extra-libs| configure option. To build the library the user will now enter \ifpdf \begin{minted}[breaklines=true,bgcolor=bg,fontsize=\small]{console} make \end{minted} \else \begin{verbatim} make \end{verbatim} \fi followed (optionally) by \ifpdf \begin{minted}[breaklines=true,bgcolor=bg,fontsize=\small]{console} make install \end{minted} \else \begin{verbatim} make install \end{verbatim} \fi \subsection{Bug reporting} If you find any bugs in our codes, please report them through our issues page on \\[2mm] \url{https://github.com/psctoolkit/amg4psblas/issues}\\ To enable us to track the bug, please provide a log from the failing application, the test conditions, and ideally a self-contained test program reproducing the issue. \subsection{Example and test programs\label{sec:ex_and_test}} The package contains the \verb|examples| and \verb|tests| directories; both of them are further divided into \verb|fileread| and \verb|pdegen| subdirectories. Their purpose is as follows: \begin{description} \item[\tt examples] contains a set of simple example programs with a predefined choice of preconditioners, selectable via integer values. These are intended to get an acquaintance with the multilevel preconditioners available in AMG4PSBLAS. \item[\tt tests] contains a set of more sophisticated examples that will allow the user, via the input files in the \verb|runs| subdirectories, to experiment with the full range of preconditioners implemented in the package. \end{description} The \verb|fileread| directories contain sample programs that read sparse matrices from files, according to the Matrix Market or the Harwell-Boeing storage format; the \verb|pdegen| programs generate matrices in full parallel mode from the discretization of a sample partial differential equation.