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[GMRES2stage.git] / paper.tex

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@@ -348,35 +348,48 @@
 \hyphenation{op-tical net-works semi-conduc-tor}
 
 
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+
+\usepackage{algorithm}
+\usepackage{algpseudocode}
+\usepackage{amsmath}
+\usepackage{amssymb}
+\usepackage{multirow}
+
+\algnewcommand\algorithmicinput{\textbf{Input:}}
+\algnewcommand\Input{\item[\algorithmicinput]}
+
+\algnewcommand\algorithmicoutput{\textbf{Output:}}
+\algnewcommand\Output{\item[\algorithmicoutput]}
+
+
+

 \begin{document}
 %
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 \begin{document}
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 % paper title
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-\title{A Krylov two-stage algorithm to solve large sparse linear systems}
+\title{TSARM: A Two-Stage Algorithm with least-square Residual Minimization to solve large sparse linear systems}

 %où
 %\title{A two-stage algorithm with error minimization to solve large sparse linear systems}
 %où
 %\title{???}
 
 
 %où
 %\title{A two-stage algorithm with error minimization to solve large sparse linear systems}
 %où
 %\title{???}
 
 

+
+
+

 % author names and affiliations
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 % author names and affiliations
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 % affiliations
 

-\author{\IEEEauthorblockN{Rapha\"el Couturier}
-\IEEEauthorblockA{Femto-ST Institute - DISC Department\\
-Universit\'e de Franche-Comt\'e, IUT de Belfort-Montb\'eliard\\
-19 avenue de Mar\'echal Juin, BP 527 \\
-90016 Belfort Cedex, France\\
-Email: raphael.couturier@univ-fcomte.fr}
-\and
-\IEEEauthorblockN{Lilia Ziane Khodja}
-\IEEEauthorblockA{Centre de Recherche INRIA Bordeaux Sud-Ouest\\
-200 avenue de la Vieille Tour\\
-33405 Talence Cedex, France\\
+\author{\IEEEauthorblockN{Rapha\"el Couturier\IEEEauthorrefmark{1}, Lilia Ziane Khodja \IEEEauthorrefmark{2} and Christophe Guyeux\IEEEauthorrefmark{1}}
+\IEEEauthorblockA{\IEEEauthorrefmark{1} Femto-ST Institute, University of Franche Comte, France\\
+Email: \{raphael.couturier,christophe.guyeux\}@univ-fcomte.fr}
+\IEEEauthorblockA{\IEEEauthorrefmark{2} INRIA Bordeaux Sud-Ouest, France\\

 Email: lilia.ziane@inria.fr}
 }
 
 Email: lilia.ziane@inria.fr}
 }
 

+
+

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@@ -413,11 +426,20 @@ Email: lilia.ziane@inria.fr}
 
 
 \begin{abstract}
 
 
 \begin{abstract}

-%The abstract goes here. DO NOT USE SPECIAL CHARACTERS, SYMBOLS, OR MATH IN YOUR TITLE OR ABSTRACT.
+In  this paper  we propose  a  two stage  iterative method  which increases  the
+convergence of Krylov iterative methods,  typically those of GMRES variants. The
+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
+experiments using up  to 16,394 cores show that compared  to GMRES our algorithm
+can be around 7 times faster.

 \end{abstract}
 
 \begin{IEEEkeywords}
 \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}
 
 
 \end{IEEEkeywords}
 
 


@@ -524,6 +546,47 @@ Iterative Krylov methods; sparse linear systems; error minimization; PETSC; %à
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+
+Iterative methods  became more attractive than  direct ones to  solve very large
+sparse  linear systems.  Iterative  methods  are more  effecient  in a  parallel
+context,  with  thousands  of  cores,  and  require  less  memory  and  arithmetic
+operations than direct  methods. A number of iterative  methods are proposed and
+adapted by many researchers and the increased need for solving very large sparse
+linear  systems  triggered the  development  of  efficient iterative  techniques
+suitable for the parallel processing.
+
+Most of the successful iterative methods currently available are based on Krylov
+subspaces which  consist in forming a  basis of a sequence  of successive matrix
+powers times an initial vector for example the residual. These methods are based
+on  orthogonality  of vectors  of  the Krylov  subspace  basis  to solve  linear
+systems.  The  most well-known iterative  Krylov subspace methods  are Conjugate
+Gradient method and GMRES method (generalized minimal residual).
+
+However,  iterative  methods suffer  from scalability  problems  on parallel
+computing  platforms  with many  processors  due  to  their need  for  reduction
+operations    and   collective    communications   to    perform   matrix-vector
+multiplications. The  communications on large  clusters with thousands  of cores
+and  large  sizes of  messages  can  significantly  affect the  performances  of
+iterative methods. In practice, Krylov subspace iteration methods are often used
+with preconditioners in order to increase their convergence and accelerate their
+performances.  However, most  of the  good preconditioners  are not  scalable on
+large clusters.
+
+In this  paper we propose a  two-stage algorithm based on  two nested iterations
+called inner-outer  iterations.  This algorithm  consists in solving  the sparse
+linear system iteratively  with a small number of  inner iterations and restarts
+the outer  step with a  new solution minimizing  some error functions  over some
+previous residuals. This algorithm is iterative and easy to parallelize on large
+clusters   and  the   minimization  technique   improves  its   convergence  and
+performances.
+
+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.   In Section~\ref{sec:05},  parallization
+details  of  TSARM  are  given.  Section~\ref{sec:06}  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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@@ -532,6 +595,7 @@ Iterative Krylov methods; sparse linear systems; error minimization; PETSC; %à
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 \section{Related works}
 %%%*********************************************************
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 \section{Related works}

+\label{sec:02} 

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@@ -540,15 +604,265 @@ Iterative Krylov methods; sparse linear systems; error minimization; PETSC; %à
 
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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
+nonsingular   matrix,   $x\in\mathbb{R}^n$    is   the   solution   vector   and
+$b\in\mathbb{R}^n$ is  the right-hand side.  The algorithm is implemented  as an
+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 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}
+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{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 (error$<\epsilon_{kryl}$)} \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$>\epsilon_{kryl}$}
+      \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}
+
+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.
+$\epsilon$).  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 $\epsilon_{kryl}$ the threshold to stop the method of the krylov 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}
+

 %%%*********************************************************
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 %%%*********************************************************
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+\section{Convergence results}
+\label{sec:04}
+
+

 
 

+%%%*********************************************************
+%%%*********************************************************
+\section{Parallelization}
+\label{sec:05}
+
+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{Experiments using petsc}
 
 %%%*********************************************************
 %%%*********************************************************
 \section{Experiments using petsc}

+\label{sec:06}
+
+
+In order to see the influence of our algorithm with only one processor, we first
+show  a comparison  with the  standard version  of GMRES  and our  algorithm. In
+table~\ref{tab:01},  we  show  the  matrices  we  have used  and  some  of  them
+characteristics. For all  the matrices, the name, the field,  the number of rows
+and the number of nonzero elements is given.
+
+\begin{table*}
+\begin{center}
+\begin{tabular}{|c|c|r|r|r|} 
+\hline
+Matrix name              & Field             &\# Rows   & \# Nonzeros   \\\hline \hline
+crashbasis         & Optimization      & 160,000  &  1,750,416  \\
+parabolic\_fem     & Computational fluid dynamics  & 525,825 & 2,100,225 \\
+epb3               & Thermal problem   & 84,617  & 463,625  \\
+atmosmodj          & Computational fluid dynamics  & 1,270,432 & 8,814,880 \\
+bfwa398            & Electromagnetics problem & 398 & 3,678 \\
+torso3             & 2D/3D problem & 259,156 & 4,429,042 \\
+\hline
+
+\end{tabular}
+\caption{Main characteristics of the sparse matrices chosen from the Davis collection}
+\label{tab:01}
+\end{center}
+\end{table*}
+
+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.
+
+
+In  Table~\ref{tab:02}, some  experiments comparing  the solving  of  the linear
+systems obtained with the previous matrices  with a GMRES variant and with out 2
+stage algorithm are  given. In the second column, it can  be noticed that either
+gmres or fgmres is used to  solve the linear system.  According to the matrices,
+different preconditioner is  used.  With the 2 stage  algorithm, the same solver
+and  the same  preconditionner  is used.   This  Table shows  that  the 2  stage
+algorithm  can  drastically  reduce  the  number  of  iterations  to  reach  the
+convergence when the  number of iterations for the normal GMRES  is more or less
+greater than  500. In fact  this also depends  on tow parameters: the  number of
+iterations  to  stop  GMRES  and   the  number  of  iterations  to  perform  the
+minimization.
+
+
+\begin{table}
+\begin{center}
+\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} \\ 
+\cline{3-6}
+       &  precond             & Time  & \# Iter.  & Time  & \# Iter.  \\\hline \hline
+
+crashbasis         & gmres / none             &  15.65     & 518  &  14.12 & 450  \\
+parabolic\_fem     & gmres / ilu           & 1009.94   & 7573 & 401.52 & 2970 \\
+epb3               & fgmres / sor             &  8.67     & 600  &  8.21 & 540  \\
+atmosmodj          &  fgmres / sor & 104.23  & 451 & 88.97 & 366  \\
+bfwa398            & gmres / none  & 1.42 & 9612 & 0.28 & 1650 \\
+torso3             & fgmres / sor  & 37.70 & 565 & 34.97 & 510 \\
+\hline
+
+\end{tabular}
+\caption{Comparison of (F)GMRES and 2 stage (F)GMRES algorithms in sequential with some matrices, time is expressed in seconds.}
+\label{tab:02}
+\end{center}
+\end{table}
+
+
+
+
+Larger experiments ....
+
+\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 \\ 
+\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 \\
+  2,048      & sor                   & 745.37   & 57,060    & 87.31  & 6,150   & 104.21 & 7,230  & 8.53 \\
+  4,096      & mg                    & 562.25   & 25,170    & 97.23  & 3,990   & 89.71  & 3,630  & 6.27 \\
+  4,096      & sor                   & 912.12   & 70,194    & 145.57 & 9,750   & 168.97 & 10,980 & 6.26 \\
+  8,192      & mg                    & 917.02   & 40,290    & 148.81 & 5,730   & 143.03 & 5,280  & 6.41 \\
+  8,192      & sor                   & 1,404.53 & 106,530   & 212.55 & 12,990  & 180.97 & 10,470 & 7.76 \\
+  16,384     & mg                    & 1,430.56 & 63,930    & 237.17 & 8,310   & 244.26 & 7,950  & 6.03 \\
+  16,384     & sor                   & 2,852.14 & 216,240   & 418.46 & 21,690  & 505.26 & 23,970 & 6.82 \\
+\hline
+
+\end{tabular}
+\caption{Comparison of FGMRES and 2 stage FGMRES algorithms for ex15 of Petsc with 25000 components per core on Juqueen (threshold 1e-3, restart=30, s=12),  time is expressed in seconds.}
+\label{tab:03}
+\end{center}
+\end{table*}
+
+
+\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 \\ 
+\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 \\
+  2,048      & 6e-5                  & 194.01 & 30,270  & 35.50  &  5,430  & 27.74  & 4,350   & 6.99 \\
+  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 \\
+  16,384     & 4e-5                  & 718.61 & 86,400 & 98.98  &  10,830  & 131.86  & 14,790  & 7.26 \\
+\hline
+
+\end{tabular}
+\caption{Comparison of FGMRES  and 2 stage FGMRES algorithms for ex54 of Petsc (both with the MG preconditioner) with 25000 components per core on Curie (restart=30, s=12),  time is expressed in seconds.}
+\label{tab:04}
+\end{center}
+\end{table*}

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@@ -557,11 +871,19 @@ Iterative Krylov methods; sparse linear systems; error minimization; PETSC; %à
 %%%*********************************************************
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 \section{Conclusion}
 %%%*********************************************************
 %%%*********************************************************
 \section{Conclusion}

+\label{sec:07}

 %The conclusion goes here. this is more of the conclusion
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 %The conclusion goes here. this is more of the conclusion
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+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
+

 
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@@ -571,10 +893,10 @@ Iterative Krylov methods; sparse linear systems; error minimization; PETSC; %à
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 \section*{Acknowledgment}
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 \section*{Acknowledgment}

-%The authors would like to thank...
-%more thanks here
-%%%*********************************************************
-%%%*********************************************************
+This  paper  is   partially  funded  by  the  Labex   ACTION  program  (contract
+ANR-11-LABX-01-01).   We acknowledge PRACE  for awarding  us access  to resource
+Curie and Juqueen respectively based in France and Germany.
+

 
 
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@@ -592,20 +914,23 @@ Iterative Krylov methods; sparse linear systems; error minimization; PETSC; %à
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+%% \begin{thebibliography}{1}
+
+%% \bibitem{saad86} Y.~Saad and M.~H.~Schultz, \emph{GMRES: A Generalized Minimal Residual Algorithm for Solving Nonsymmetric Linear Systems}, SIAM Journal on Scientific and Statistical Computing, 7(3):856--869, 1986.
+
+%% \bibitem{saad96} Y.~Saad, \emph{Iterative Methods for Sparse Linear Systems}, PWS Publishing, New York, 1996.

 
 

-\bibitem{IEEEhowto:kopka}
-%H.~Kopka and P.~W. Daly, \emph{A Guide to \LaTeX}, 3rd~ed.\hskip 1em plus
-%  0.5em minus 0.4em\relax Harlow, England: Addison-Wesley, 1999.
+%% \bibitem{hestenes52} M.~R.~Hestenes and E.~Stiefel, \emph{Methods of conjugate gradients for solving linear system}, Journal of Research of National Bureau of Standards, B49:409--436, 1952.

 
 

-\end{thebibliography}
+%% \bibitem{paige82} C.~C.~Paige and A.~M.~Saunders, \emph{LSQR: An Algorithm for Sparse Linear Equations and Sparse Least Squares}, ACM Trans. Math. Softw. 8(1):43--71, 1982.
+%% \end{thebibliography}