\usepackage{amsmath}
\usepackage{amssymb}
\usepackage{multirow}
+\usepackage{graphicx}
\algnewcommand\algorithmicinput{\textbf{Input:}}
\algnewcommand\Input{\item[\algorithmicinput]}
principle of our approach is to build an external iteration over the Krylov
method and to save the current residual frequently (for example, for each
restart of GMRES). Then after a given number of outer iterations, a minimization
-step is applied on the matrix composed of the save residuals in order to compute
-a better solution and make a new iteration if necessary. We prove that our
-method has the same convergence property than the inner method used. Some
+step is applied on the matrix composed of the saved residuals in order to
+compute a better solution and make a new iteration if necessary. We prove that
+our method has the same convergence property than the inner method used. Some
experiments using up to 16,394 cores show that compared to GMRES our algorithm
can be around 7 times faster.
\end{abstract}
\begin{IEEEkeywords}
-Iterative Krylov methods; sparse linear systems; error minimization; PETSc; %à voir...
+Iterative Krylov methods; sparse linear systems; residual minimization; PETSc; %à voir...
\end{IEEEkeywords}
The present paper is organized as follows. In Section~\ref{sec:02} some related
works are presented. Section~\ref{sec:03} presents our two-stage algorithm using
a least-square residual minimization. Section~\ref{sec:04} describes some
-convergence results on this method. Section~\ref{sec:05} shows some
-experimental results obtained on large clusters of our algorithm using routines
-of PETSc toolkit. Finally Section~\ref{sec:06} concludes and gives some
-perspectives.
+convergence results on this method. Section~\ref{sec:05} shows some experimental
+results obtained on large clusters of our algorithm using routines of PETSc
+toolkit. Finally Section~\ref{sec:06} concludes and gives some perspectives.
%%%*********************************************************
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-\section{A Krylov two-stage algorithm}
+\section{Two-stage algorithm with least-square residuals minimization}
\label{sec:03}
A two-stage algorithm is proposed to solve large sparse linear systems of the
form $Ax=b$, where $A\in\mathbb{R}^{n\times n}$ is a sparse and square
inner-outer iteration solver based on iterative Krylov methods. The main key
points of our solver are given in Algorithm~\ref{algo:01}.
-In order to accelerate the convergence, the outer iteration applies a least-square minimization on the residuals computed by the inner some error functions over a Krylov
-subspace~\cite{Saad2003}. At each iteration, the sparse linear system $Ax=b$ is
-solved iteratively with an iterative method, for example GMRES
-method~\cite{Saad86} or some of its variants, and the Krylov subspace that we
-used is spanned by a basis $S$ composed of successive solutions issued from the
-inner iteration
-\begin{equation}
- S = \{x^1, x^2, \ldots, x^s\} \text{,~} s\leq n.
-\end{equation}
-The advantage of such a Krylov subspace is that we neither need an orthogonal
-basis nor any synchronization between processors to generate this basis. The
-algorithm is periodically restarted every $s$ iterations with a new initial
-guess $x=S\alpha$ which minimizes the residual norm $\|b-Ax\|_2$ over the Krylov
-subspace spanned by vectors of $S$, where $\alpha$ is a solution of the normal
-equations
-\begin{equation}
- R^TR\alpha = R^Tb,
-\end{equation}
-which is associated with the least-squares problem
+In order to accelerate the convergence, the outer iteration periodically applies
+a least-square minimization on the residuals computed by the inner solver. The
+inner solver is a Krylov based solver which does not required to be changed.
+
+At each outer iteration, the sparse linear system $Ax=b$ is solved, only for $m$
+iterations, using an iterative method restarting with the previous solution. For
+example, the GMRES method~\cite{Saad86} or some of its variants can be used as a
+inner solver. The current solution of the Krylov method is saved inside a matrix
+$S$ composed of successive solutions computed by the inner iteration.
+
+Periodically, every $s$ iterations, the minimization step is applied in order to
+compute a new solution $x$. For that, the previous residuals are computed with
+$(b-AS)$. The minimization of the residuals is obtained by
\begin{equation}
\underset{\alpha\in\mathbb{R}^{s}}{min}\|b-R\alpha\|_2
\label{eq:01}
\end{equation}
-such that $R=AS$ is a dense rectangular matrix in $\mathbb{R}^{n\times s}$,
-$s\ll n$, and $R^T$ denotes the transpose of matrix $R$. We use an iterative
-method to solve the least-squares problem~(\ref{eq:01}) such as CGLS
-~\cite{Hestenes52} or LSQR~\cite{Paige82} which are more appropriate than a
-direct method in the parallel context.
+with $R=AS$. Then the new solution $x$ is computed with $x=S\alpha$.
+
+
+In practice, $R$ is a dense rectangular matrix in $\mathbb{R}^{n\times s}$,
+$s\ll n$. In order to minimize~(\ref{eq:01}), a least-square method such as
+CGLS ~\cite{Hestenes52} or LSQR~\cite{Paige82} is used. Those methods are more
+appropriate than a direct method in a parallel context.
\begin{algorithm}[t]
-\caption{A Krylov two-stage algorithm}
+\caption{TSARM}
\begin{algorithmic}[1]
\Input $A$ (sparse matrix), $b$ (right-hand side)
\Output $x$ (solution vector)\vspace{0.2cm}
\State Set the initial guess $x^0$
- \For {$k=1,2,3,\ldots$ until convergence} \label{algo:conv}
- \State Solve iteratively $Ax^k=b$ \label{algo:solve}
- \State $S_{k~mod~s}=x^k$
- \If {$k$ mod $s=0$ {\bf and} not convergence}
- \State Compute dense matrix $R=AS$
- \State Solve least-squares problem $\underset{\alpha\in\mathbb{R}^{s}}{min}\|b-R\alpha\|_2$
- \State Compute minimizer $x^k=S\alpha$
+ \For {$k=1,2,3,\ldots$ until convergence (error$<\epsilon_{tsarm}$)} \label{algo:conv}
+ \State $x^k=Solve(A,b,x^{k-1},max\_iter_{kryl})$ \label{algo:solve}
+ \State retrieve error
+ \State $S_{k~mod~s}=x^k$ \label{algo:store}
+ \If {$k$ mod $s=0$ {\bf and} error$>\epsilon_{tsarm}$}
+ \State $R=AS$ \Comment{compute dense matrix} \label{algo:matrix_mul}
+ \State Solve least-squares problem $\underset{\alpha\in\mathbb{R}^{s}}{min}\|b-R\alpha\|_2$ \label{algo:}
+ \State $x^k=S\alpha$ \Comment{compute new solution}
\EndIf
\EndFor
\end{algorithmic}
\label{algo:01}
\end{algorithm}
-Operation $S_{k~ mod~ s}=x^k$ consists in copying the residual $x_k$ into the
-column $k~ mod~ s$ of the matrix $S$. After the minimization, the matrix $S$ is
-reused with the new values of the residuals.
+Algorithm~\ref{algo:01} summarizes the principle of our method. The outer
+iteration is inside the for loop. Line~\ref{algo:solve}, the Krylov method is
+called for a maximum of $max\_iter_{kryl}$ iterations. In practice, we suggest to set this parameter
+equals to the restart number of the GMRES-like method. Moreover, a tolerance
+threshold must be specified for the solver. In practice, this threshold must be
+much smaller than the convergence threshold of the TSARM algorithm (i.e.
+$\epsilon_{tsarm}$). Line~\ref{algo:store}, $S_{k~ mod~ s}=x^k$ consists in copying the
+solution $x_k$ into the column $k~ mod~ s$ of the matrix $S$. After the
+minimization, the matrix $S$ is reused with the new values of the residuals. To
+solve the minimization problem, an iterative method is used. Two parameters are
+required for that: the maximum number of iteration and the threshold to stop the
+method.
+
+To summarize, the important parameters of TSARM are:
+\begin{itemize}
+\item $\epsilon_{tsarm}$ the threshold to stop the TSARM method
+\item $max\_iter_{kryl}$ the maximum number of iterations for the krylov method
+\item $s$ the number of outer iterations before applying the minimization step
+\item $max\_iter_{ls}$ the maximum number of iterations for the iterative least-square method
+\item $\epsilon_{ls}$ the threshold to stop the least-square method
+\end{itemize}
+
+
+The parallelisation of TSARM relies on the parallelization of all its
+parts. More precisely, except the least-square step, all the other parts are
+obvious to achieve out in parallel. In order to develop a parallel version of
+our code, we have chosen to use PETSc~\cite{petsc-web-page}. For
+line~\ref{algo:matrix_mul} the matrix-matrix multiplication is implemented and
+efficient since the matrix $A$ is sparse and since the matrix $S$ contains few
+colums in practice. As explained previously, at least two methods seem to be
+interesting to solve the least-square minimization, CGLS and LSQR.
+
+In the following we remind the CGLS algorithm. The LSQR method follows more or
+less the same principle but it take more place, so we briefly explain the parallelization of CGLS which is similar to LSQR.
+
+\begin{algorithm}[t]
+\caption{CGLS}
+\begin{algorithmic}[1]
+ \Input $A$ (matrix), $b$ (right-hand side)
+ \Output $x$ (solution vector)\vspace{0.2cm}
+ \State $r=b-Ax$
+ \State $p=A'r$
+ \State $s=p$
+ \State $g=||s||^2_2$
+ \For {$k=1,2,3,\ldots$ until convergence (g$<\epsilon_{ls}$)} \label{algo2:conv}
+ \State $q=Ap$
+ \State $\alpha=g/||q||^2_2$
+ \State $x=x+alpha*p$
+ \State $r=r-alpha*q$
+ \State $s=A'*r$
+ \State $g_{old}=g$
+ \State $g=||s||^2_2$
+ \State $\beta=g/g_{old}$
+ \EndFor
+\end{algorithmic}
+\label{algo:02}
+\end{algorithm}
+
+
+In each iteration of CGLS, there is two matrix-vector multiplications and some
+classical operations: dots, norm, multiplication and addition on vectors. All
+these operations are easy to implement in PETSc or similar environment.
+
+
%%%*********************************************************
%%%*********************************************************
\section{Convergence results}
\label{sec:04}
+
+
+
%%%*********************************************************
%%%*********************************************************
\section{Experiments using petsc}
The following parameters have been chosen for our experiments. As by default
the restart of GMRES is performed every 30 iterations, we have chosen to stop
-the GMRES every 30 iterations (line \ref{algo:solve} in
-Algorithm~\ref{algo:01}). $s$ is set to 8. CGLS is chosen to minimize the
-least-squares problem. Two conditions are used to stop CGLS, either the
-precision is under $1e-40$ or the number of iterations is greater to $20$. The
-external precision is set to $1e-10$ (line \ref{algo:conv} in
-Algorithm~\ref{algo:01}). Those experiments have been performed on a Intel(R)
-Core(TM) i7-3630QM CPU @ 2.40GHz with the version 3.5.1 of PETSc.
+the GMRES every 30 iterations, $max\_iter_{kryl}=30$). $s$ is set to 8. CGLS is
+chosen to minimize the least-squares problem with the following parameters:
+$\epsilon_{ls}=1e-40$ and $max\_iter_{ls}=20$. The external precision is set to
+$1e-10$ (i.e. ). Those experiments
+have been performed on a Intel(R) Core(TM) i7-3630QM CPU @ 2.40GHz with the
+version 3.5.1 of PETSc.
In Table~\ref{tab:02}, some experiments comparing the solving of the linear
\begin{tabular}{|c|c|r|r|r|r|}
\hline
- \multirow{2}{*}{Matrix name} & Solver / & \multicolumn{2}{c|}{gmres variant} & \multicolumn{2}{c|}{2 stage CGLS} \\
+ \multirow{2}{*}{Matrix name} & Solver / & \multicolumn{2}{c|}{GMRES} & \multicolumn{2}{c|}{TSARM CGLS} \\
\cline{3-6}
& precond & Time & \# Iter. & Time & \# Iter. \\\hline \hline
-Larger experiments ....
+
+In the following we describe the applications of PETSc we have
+experimented. Those applications are available in the ksp part which is suited
+for scalable linear equations solvers:
+\begin{itemize}
+\item ex15 is an example which solves in parallel an operator using a finite
+ difference scheme. The diagonal is equals to 4 and 4 extra-diagonals
+ representing the neighbors in each directions is equal to -1. This example is
+ used in many physical phenomena , for exemple, heat and fluid flow, wave
+ propagation...
+\item ex54 is another example based on 2D problem discretized with quadrilateral
+ finite elements. For this example, the user can define the scaling of material
+ coefficient in embedded circle, it is called $\alpha$.
+\end{itemize}
+For more technical details on these applications, interested reader are invited
+to read the codes available in the PETSc sources. Those problem have been
+chosen because they are scalable with many cores. We have tested other problem
+but they are not scalable with many cores.
+
+
+
\begin{table*}
\begin{center}
\begin{tabular}{|r|r|r|r|r|r|r|r|r|}
\hline
- nb. cores & precond & \multicolumn{2}{c|}{gmres variant} & \multicolumn{2}{c|}{2 stage CGLS} & \multicolumn{2}{c|}{2 stage LSQR} & best gain \\
+ nb. cores & precond & \multicolumn{2}{c|}{GMRES} & \multicolumn{2}{c|}{TSARM CGLS} & \multicolumn{2}{c|}{TSARM LSQR} & best gain \\
\cline{3-8}
& & Time & \# Iter. & Time & \# Iter. & Time & \# Iter. & \\\hline \hline
2,048 & mg & 403.49 & 18,210 & 73.89 & 3,060 & 77.84 & 3,270 & 5.46 \\
\end{table*}
+\begin{figure}
+\centering
+ \includegraphics[width=0.45\textwidth]{nb_iter_sec_ex15_juqueen}
+\caption{Number of iterations per second with ex15 and the same parameters than in Table~\ref{tab:03}}
+\label{fig:01}
+\end{figure}
+
+
+
+
+
\begin{table*}
\begin{center}
\begin{tabular}{|r|r|r|r|r|r|r|r|r|}
\hline
- nb. cores & threshold & \multicolumn{2}{c|}{gmres variant} & \multicolumn{2}{c|}{2 stage CGLS} & \multicolumn{2}{c|}{2 stage LSQR} & best gain \\
+ nb. cores & threshold & \multicolumn{2}{c|}{GMRES} & \multicolumn{2}{c|}{TSARM CGLS} & \multicolumn{2}{c|}{TSARM LSQR} & best gain \\
\cline{3-8}
& & Time & \# Iter. & Time & \# Iter. & Time & \# Iter. & \\\hline \hline
2,048 & 8e-5 & 108.88 & 16,560 & 23.06 & 3,630 & 22.79 & 3,630 & 4.77 \\
4,096 & 7e-5 & 160.59 & 22,530 & 35.15 & 5,130 & 29.21 & 4,350 & 5.49 \\
4,096 & 6e-5 & 249.27 & 35,520 & 52.13 & 7,950 & 39.24 & 5,790 & 6.35 \\
8,192 & 6e-5 & 149.54 & 17,280 & 28.68 & 3,810 & 29.05 & 3,990 & 5.21 \\
- 8,192 & 5e-5 & 792.11 & 109,590 & 76.83 & 10,470 & 65.20 & 9,030 & 12.14 \\
+ 8,192 & 5e-5 & 785.04 & 109,590 & 76.07 & 10,470 & 69.42 & 9,030 & 11.30 \\
16,384 & 4e-5 & 718.61 & 86,400 & 98.98 & 10,830 & 131.86 & 14,790 & 7.26 \\
\hline
\label{tab:04}
\end{center}
\end{table*}
+
+
+
+
+
+\begin{table*}
+\begin{center}
+\begin{tabular}{|r|r|r|r|r|r|r|r|r|r|r|}
+\hline
+
+ nb. cores & \multicolumn{2}{c|}{GMRES} & \multicolumn{2}{c|}{TSARM CGLS} & \multicolumn{2}{c|}{TSARM LSQR} & best gain & \multicolumn{3}{c|}{efficiency} \\
+\cline{2-7} \cline{9-11}
+ & Time & \# Iter. & Time & \# Iter. & Time & \# Iter. & & GMRES & TS CGLS & TS LSQR\\\hline \hline
+ 512 & 3,969.69 & 33,120 & 709.57 & 5,790 & 622.76 & 5,070 & 6.37 & 1 & 1 & 1 \\
+ 1024 & 1,530.06 & 25,860 & 290.95 & 4,830 & 307.71 & 5,070 & 5.25 & 1.30 & 1.21 & 1.01 \\
+ 2048 & 919.62 & 31,470 & 237.52 & 8,040 & 194.22 & 6,510 & 4.73 & 1.08 & .75 & .80\\
+ 4096 & 405.60 & 28,380 & 111.67 & 7,590 & 91.72 & 6,510 & 4.42 & 1.22 & .79 & .84 \\
+ 8192 & 785.04 & 109,590 & 76.07 & 10,470 & 69.42 & 9,030 & 11.30 & .32 & .58 & .56 \\
+
+\hline
+
+\end{tabular}
+\caption{Comparison of FGMRES and 2 stage FGMRES algorithms for ex54 of Petsc (both with the MG preconditioner) with 204,919,225 components on Curie with different number of cores (restart=30, s=12, threshol 5e-5), time is expressed in seconds.}
+\label{tab:05}
+\end{center}
+\end{table*}
+
%%%*********************************************************
%%%*********************************************************
future plan : \\
- study other kinds of matrices, problems, inner solvers\\
+- test the influence of all the parameters\\
- adaptative number of outer iterations to minimize\\
- other methods to minimize the residuals?\\
- implement our solver inside PETSc
