\section{Data Structures} \label{sec:datastruct} %\ifthenelse{\boolean{mtc}}{\minitoc}{} In this chapter are illustrated data structures used for definition of routines interfaces. This include data structure for sparse matrix, communication descriptor and preconditioner. These data structures are used for calling PSBLAS routines in Fortran~90 language and will be used to next chapters containing these callings. All the data types and subroutine interfaces are defined in the module \verb|psb_sparse_mod|; this will have to be included by every user subroutine that makes use of the library. \subsection{Descriptor data structure} \label{sec:desc} All the general matrix informations and elements to be exchanged among processes are stored within a data structure of the type \hypertarget{descdata}{{\tt psb\_desc\_type}}. Every structure of this type is associated to a sparse matrix, it contains data about general matrix informations and elements to be exchanged among processes. It is not necessary for the user to know the internal structure of \verb|psb_desc_type|, it is set in fully-transparent mode by PSBLAS-TOOLS routines when inserting a new sparse matrix, however the definition of the descriptor is the following. \begin{description} \item[{\bf matrix\_data}] includes general information about matrix and BLACS grid. More precisely: \begin{description} \item[matrix\_data[psb\_dec\_type\_\hbox{]}] Identifies the decomposition type (global); the actual values are internally defined, so they should never be accessed directly. \item[matrix\_data[psb\_ctxt\_\hbox{]}] Communication context as returned by the BLACS (global). \item[matrix\_data[psb\_m\_\hbox{]}] Total number of equations (global). \item[matrix\_data[psb\_n\_\hbox{]}] Total number of variables (global). \item[matrix\_data[psb\_n\_row\_\hbox{]}] Number of grid variables owned by the current process (local); equivalent to the number of local rows in the sparse coefficient matrix. \item[matrix\_data[psb\_n\_col\_\hbox{]}] Total number of grid variables read by the current process (local); equivalent to the number of local columns in the sparse coefficient matrix. They include the halo. \end{description} Specified as: a pointer to integer array of dimension 10. \item[{\bf halo\_index}] A list of the halo and boundary elements for the current process to be exchanged with other processes; for each processes with which it is necessary to communicate: \begin{enumerate} \item Process identifier; \item Number of points to be received; \item Indices of points to be received; \item Number of points to be sent; \item Indices of points to be sent; \end{enumerate} The list may contain an arbitrary number of groups; its end is marked by a -1.\\ Specified as: a pointer to an integer array of rank one. \item [{\bf ovrlap\_index}] A list of the overlap elements for the current process, organized in groups like the previous vector: \begin{enumerate} \item Process identifier; \item Number of points to be received; \item Indices of points to be received; \item Number of points to be sent; \item Indices of points to be sent; \end{enumerate} The list may contain an arbitrary number of groups; its end is marked by a -1.\\ Specified as: a pointer to an integer array of rank one. \item [{\bf ovrlap\_index}] For all overlap points belonging to th ecurrent process: \begin{enumerate} \item Overlap point index; \item Number of processes sharing that overlap points; \end{enumerate} The list may contain an arbitrary number of groups; its end is marked by a -1.\\ Specified as: a pointer to an integer array of rank one. \item[{\bf loc\_to\_glob}] each element $i$ of this array contains global identifier of the local variable $i$.\\ Specified as: a pointer to an integer array of rank one. \item[{\bf glob\_to\_loc}] if global variable $i$ is read by current process then element $i$ contains local index correpondent to global variable $i$; else element $i$ contains -1 (NULL) value.\\ Specified as: a pointer to an integer array of rank one. \end{description} FORTRAN95 interface for \verb|psb_desc_type| structures is therefore defined as follows: \begin{figure}[h!] \begin{Sbox} \begin{minipage}[tl]{0.9\textwidth} \begin{verbatim} type psb_desc_type integer, pointer :: matrix_data(:), halo_index(:) integer, pointer :: overlap_elem(:), overlap_index(:) integer, pointer :: loc_to_glob(:), glob_to_loc(:) end type psb_desc_type \end{verbatim} \end{minipage} \end{Sbox} \setlength{\fboxsep}{8pt} \begin{center} \fbox{\TheSbox} \end{center} \caption{\label{fig:desctype}The PSBLAS defined data type that contains the communication descriptor.} \end{figure} A communication descriptor associated with a sparse matrix has a state, which can take the following values: \begin{description} \item[Build:] State entered after the first allocation, and before the first assembly; in this state it is possible to add communication requirements among different processes. \item[Assembled:] State entered after the assembly; computations using the associated sparse matrix, such as matrix-vector products, are only possible in this state. \end{description} \subsubsection{Named Constants} \label{sec:cd_constants} \begin{description} \item[psb\_none\_] Generic no-op; \item[psb\_nohalo\_] Do not fetch halo elements; \item[psb\_halo\_] Fetch halo elements from neighbouring processes; \item[psb\_sum\_] Sum overlapped elements \item[psb\_avg\_] Average overlapped elements %% \item[psb\_square\_root\_] Update with the square root of the average %% of overlapped elements; \item[psb\_dec\_type\_] Entry holding decomposition type (in \verb|desc_a%matrix_data|) \item[psb\_m\_] Entry holding total number of rows \item[psb\_n\_] Entry holding total number of columns \item[ psb\_n\_row\_] Entry holding the number of rows stored in the current process \item[psb\_n\_col\_] Entry holding the number of columns stored in the current process \item[psb\_ctxt\_] Entry holding a copy of the BLACS communication context \item[psb\_desc\_asb\_] State of the descriptor: assembled, i.e. suitable for computational tasks. \item[psb\_desc\_bld\_] State of the descriptor: build, must be assembled before computational use. \end{description} \subsection{Sparse Matrix data structure} \label{sec:spmat} The \hypertarget{spdata}{{\tt psb\_spmat\_type}} data structure contains all information about local portion of the sparse matrix and its storage mode. Many of this fields are set in fully-transparent mode by PSBLAS-TOOLS routines when inserting a new sparse matrix, user must set only fields which describe matrix storage mode. \\ Fields contained in Sparse matrix structures are: \begin{description} \item[{\bf aspk}] Contains values of the local distributed sparse matrix.\\ Specified as: a pointer to an array of rank one of type corresponding to matrix entries type. \item[{\bf ia1}] Holds integer information on distributed sparse matrix. Actual information will depend on data format used.\\ Specified as: a pointer to an integer array of rank one. \item[{\bf ia2}] Holds integer information on distributed sparse matrix. Actual information will depend on data format used.\\ Specified as: a pointer to an integer array of rank one. \item[{\bf infoa}] On entry can hold auxiliary information on distributed sparse matrix. Actual information will depend on data format used.\\ Specified as: integer array of length \verb|psb_ifasize_|. \item[{\bf fida}] Defines the format of the distributed sparse matrix.\\ Specified as: a string of length 5 \item[{\bf descra}] Describe the characteristic of the distributed sparse matrix.\\ Specified as: array of character of length 9. \item[{\bf pl}] Specifies the local row permutation of distributed sparse matrix. If pl(1) is equal to 0, then there isn't row permutation.\\ Specified as: pointer to integer array of dimension equal to number of local row (matrix\_data[psb\_n\_row\_\hbox{]}) \item[{\bf pr}] Specifies the local column permutation of distributed sparse matrix. If PR(1) is equal to 0, then there isn't columnm permutation.\\ Specified as: pointer to integer array of dimension equal to number of local row (matrix\_data[psb\_n\_col\_\hbox{]}) \item[{\bf m}] Number of rows; if row indices are stored explicitly, as in Coordinate Storage, should be greater than or equal to the maximum row index actually present in the sparse matrix. Specified as: integer variable. \item[{\bf k}] Number of columns; if column indices are stored explicitly, as in Coordinate Storage or Compressed Sparse Rows, should be greater than or equal to the maximum column index actually present in the sparse matrix. Specified as: integer variable. \end{description} FORTRAN95 interface for distributed sparse matrices containing double precision real entries is defined as in figure~\ref{fig:spmattype}. \begin{figure}[h!] \begin{Sbox} \begin{minipage}[tl]{0.85\textwidth} \begin{verbatim} type psb_dspmat_type integer :: m, k character :: fida(5) character :: descra(10) integer :: infoa(psb_ifa_size_) real(kind(1.d0)), pointer :: aspk(:) integer, pointer :: ia1(:), ia2(:), pr(:), pl(:) end type psb_dspmat_type \end{verbatim} \end{minipage} \end{Sbox} \setlength{\fboxsep}{8pt} \begin{center} \fbox{\TheSbox} \end{center} \caption{\label{fig:spmattype} The PSBLAS defined data type that contains a sparse matrix.} \end{figure} The following two cases are among the most commonly used: \begin{description} \item[fida=``CSR''] Compressed storage by rows. In this case the following should hold: \begin{enumerate} \item \verb|ia2(i)| contains the index of the first element of row \verb|i|; the last element of the sparse matrix is thus stored at index $ia2(m+1)-1$. It should contain \verb|m+1| entries in nondecreasing order (strictly increasing, if there are no empty rows). \item \verb|ia1(j)| contains the column index and \verb|aspk(j)| contains the corresponding coefficient value, for all $ia2(1) \le j \le ia2(m+1)-1$. \end{enumerate} \item[fida=``COO''] Coordinate storage. In this case the following should hold: \begin{enumerate} \item \verb|infoa(1)| contains the number of nonzero elements in the matrix; \item For all $1 \le j \le infoa(1)$, the coefficient, row index and column index are stored into \verb|apsk(j)|, \verb|ia1(j)| and \verb|ia2(j)| respectively. \end{enumerate} \end{description} A sparse matrix has an associated state, which can take the following values: \begin{description} \item[Build:] State entered after the first allocation, and before the first assembly; in this state it is possible to add nonzero entries. \item[Assembled:] State entered after the assembly; computations using the sparse matrix, such as matrix-vector products, are only possible in this state; \item[Update:] State entered after a reinitalization; this is used to handle applications in which the same sparsity pattern is used multiple times with different coefficients. In this state it is only possible to enter coefficients for already existing nonzero entries. \end{description} \subsubsection{Named Constants} \label{sec:sp_constants} \begin{description} %% \item[psb\_nztotreq\_] Request to fetch the total number of nonzeroes %% stored in a sparse matrix %% \item[psb\_nzrowreq\_] Request to fetch the number of nonzeroes in a %% given row in a sparse matrix \item[psb\_dupl\_ovwrt\_] Duplicate coefficients should be overwritten (i.e. ignore duplications) \item[psb\_dupl\_add\_] Duplicate coefficients should be added; \item[psb\_dupl\_err\_] Duplicate coefficients should trigger an error conditino \item[psb\_upd\_dflt\_] Default update strategy for matrix coefficients; \item[psb\_upd\_srch\_] Update strategy based on search into the data structure; \item[psb\_upd\_perm\_] Update strategy based on additional permutation data (see tools routine description). \end{description} \subsection{Preconditioner data structure} \label{sec:prec} PSBLAS-2.0 offers the possibility to use many different types of preconditioning schemes. Besides the simple well known preconditioners like Diagonal Scaling or Block Jacobi (with ILU(0) incomplete factorization) also more complex preconditioning methods are implemented like the Additive Schwarz and Two-Level ones. A preconditioner is held in the \hypertarget{precdata}{{\tt psb\_prec\_type}} data structure which depends on the \verb|psb_base_prec| reported in figure~\ref{fig:prectype}. The \verb|psb_base_prec| data type may contain a simple preconditioning matrix with the associated communication descriptor which may be different than the system communication descriptor in the case of parallel preconditioners like the Additive Schwarz one. Then the \verb|psb_prec_type| may contain more than one preconditioning matrix like in the case of Two-Level (in general Multi-Level) preconditioners. The user can choose the type of preconditioner to be used by means of the \verb|psb_precset| subroutine; once the type of preconditioning method is specified, along with all the parameters that characterize it, the preconditioner data structure can be built using the \verb|psb_precbld| subroutine. This data structure wants to be flexible enough to easily allow the implementation of new kind of preconditioners. The values contained in the \verb|iprcparm| and \verb|dprcparm| define tha type of preconditioner along with all the parameters related to it; thus, \verb|iprcparm| and \verb|dprcparm| define how the other records have to be interpreted. \begin{figure}[h!] \small \begin{Sbox} \begin{minipage}[tl]{0.9\textwidth} \begin{verbatim} type psb_base_prec type(psb_spmat_type), pointer :: av(:) => null() real(kind(1.d0)), pointer :: d(:) => null() type(psb_desc_type), pointer :: desc_data => null() integer, pointer :: iprcparm(:) => null() real(kind(1.d0)), pointer :: dprcparm(:) => null() integer, pointer :: perm(:) => null() integer, pointer :: mlia(:) => null() integer, pointer :: invperm(:) => null() integer, pointer :: nlaggr(:) => null() type(psb_spmat_type), pointer :: aorig => null() real(kind(1.d0)), pointer :: dorig(:) => null() end type psb_base_prec type psb_prec_type type(psb_base_prec), pointer :: baseprecv(:) => null() integer :: prec, base_prec end type psb_prec_type \end{verbatim} \end{minipage} \end{Sbox} \setlength{\fboxsep}{8pt} \begin{center} \fbox{\TheSbox} \end{center} \caption{\label{fig:prectype}The PSBLAS defined data type that contains a preconditioner.} \end{figure} \subsubsection{Named Constants} \label{sec:prec_constants} \begin{description} \item[f\_ilu\_n\_] Incomplete LU factorization with $n$ levels of fill-in; currently only $n=0$ is implemented; \item[f\_slu\_] Sparse factorization using SuperLU; \item[f\_umf\_] Sparse factorization using UMFPACK; \item[add\_ml\_prec\_] Additive multilevel correction; \item[mult\_ml\_prec\_] Multiplicative multilevel correction; \item[pre\_smooth\_] Pre-smoothing in applying multiplicative multilevel corrections; \item[post\_smooth\_] Post-smoothing in applying multiplicative multilevel corrections; \item[smooth\_both\_] Two-sided (i.e. symmetric) smoothing in applying multiplicative multilevel corrections; \item[mat\_distr\_] Coarse matrix distributed among processes \item[mat\_repl\_] Coarse matrix replicated among processes \end{description} %%% Local Variables: %%% mode: latex %%% TeX-master: "userguide" %%% End: