AnasaziSimpleLOBPCGSolMgr.hpp

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// @HEADER
// *****************************************************************************
//                 Anasazi: Block Eigensolvers Package
//
// Copyright 2004 NTESS and the Anasazi contributors.
// SPDX-License-Identifier: BSD-3-Clause
// *****************************************************************************
// @HEADER

#ifndef ANASAZI_SIMPLE_LOBPCG_SOLMGR_HPP
#define ANASAZI_SIMPLE_LOBPCG_SOLMGR_HPP

#include "AnasaziConfigDefs.hpp"
#include "AnasaziTypes.hpp"

#include "AnasaziEigenproblem.hpp"
#include "AnasaziSolverManager.hpp"

#include "AnasaziLOBPCG.hpp"
#include "AnasaziBasicSort.hpp"
#include "AnasaziSVQBOrthoManager.hpp"
#include "AnasaziStatusTestMaxIters.hpp"
#include "AnasaziStatusTestResNorm.hpp"
#include "AnasaziStatusTestCombo.hpp"
#include "AnasaziStatusTestOutput.hpp"
#include "AnasaziOutputManager.hpp"
#include "AnasaziOutputStreamTraits.hpp"
#include "AnasaziSolverUtils.hpp"

#include "Teuchos_TimeMonitor.hpp"
#include "Teuchos_FancyOStream.hpp"


namespace Anasazi {

template<class ScalarType, class MV, class OP>
class SimpleLOBPCGSolMgr : public SolverManager<ScalarType,MV,OP> {

  private:
    typedef MultiVecTraits<ScalarType,MV> MVT;
    typedef Teuchos::ScalarTraits<ScalarType> SCT;
    typedef typename Teuchos::ScalarTraits<ScalarType>::magnitudeType MagnitudeType;
    typedef Teuchos::ScalarTraits<MagnitudeType> MT;

  public:



  SimpleLOBPCGSolMgr( const Teuchos::RCP<Eigenproblem<ScalarType,MV,OP> > &problem,
                             Teuchos::ParameterList &pl );

  virtual ~SimpleLOBPCGSolMgr() {};



  const Eigenproblem<ScalarType,MV,OP>& getProblem() const {
    return *problem_;
  }

  int getNumIters() const {
    return numIters_;
  }




  ReturnType solve();

  private:
  Teuchos::RCP<Eigenproblem<ScalarType,MV,OP> > problem_;
  Teuchos::RCP<Teuchos::FancyOStream> osp_;
  std::string whch_;
  MagnitudeType tol_;
  int osProc_;
  int verb_;
  int blockSize_;
  int maxIters_;
  int numIters_;
};


template<class ScalarType, class MV, class OP>
SimpleLOBPCGSolMgr<ScalarType,MV,OP>::SimpleLOBPCGSolMgr(
        const Teuchos::RCP<Eigenproblem<ScalarType,MV,OP> > &problem,
        Teuchos::ParameterList &pl ) :
  problem_(problem),
  whch_("LM"),
  tol_(1e-6),
  osProc_(0),
  verb_(Anasazi::Errors),
  blockSize_(0),
  maxIters_(100),
  numIters_(0)
{
  TEUCHOS_TEST_FOR_EXCEPTION(problem_ == Teuchos::null,              std::invalid_argument, "Problem not given to solver manager.");
  TEUCHOS_TEST_FOR_EXCEPTION(!problem_->isProblemSet(),              std::invalid_argument, "Problem not set.");
  TEUCHOS_TEST_FOR_EXCEPTION(!problem_->isHermitian(),               std::invalid_argument, "Problem not symmetric.");
  TEUCHOS_TEST_FOR_EXCEPTION(problem_->getInitVec() == Teuchos::null,std::invalid_argument, "Problem does not contain initial vectors to clone from.");

  whch_ = pl.get("Which","SR");
  TEUCHOS_TEST_FOR_EXCEPTION(whch_ != "SM" && whch_ != "LM" && whch_ != "SR" && whch_ != "LR",
                     AnasaziError,
                     "SimpleLOBPCGSolMgr: \"Which\" parameter must be SM, LM, SR or LR.");

  tol_ = pl.get("Convergence Tolerance",tol_);
  TEUCHOS_TEST_FOR_EXCEPTION(tol_ <= 0,
                     AnasaziError,
                     "SimpleLOBPCGSolMgr: \"Tolerance\" parameter must be strictly postiive.");

  // Create a formatted output stream to print to.
  // See if user requests output processor.
  osProc_ = pl.get("Output Processor", osProc_);

  // If not passed in by user, it will be chosen based upon operator type.
  if (pl.isParameter("Output Stream")) {
    osp_ = Teuchos::getParameter<Teuchos::RCP<Teuchos::FancyOStream> >(pl,"Output Stream");
  }
  else {
    osp_ = OutputStreamTraits<OP>::getOutputStream (*problem_->getOperator(), osProc_);
  }

  // verbosity level
  if (pl.isParameter("Verbosity")) {
    if (Teuchos::isParameterType<int>(pl,"Verbosity")) {
      verb_ = pl.get("Verbosity", verb_);
    } else {
      verb_ = (int)Teuchos::getParameter<Anasazi::MsgType>(pl,"Verbosity");
    }
  }


  blockSize_= pl.get("Block Size",problem_->getNEV());
  TEUCHOS_TEST_FOR_EXCEPTION(blockSize_ <= 0,
                     AnasaziError,
                     "SimpleLOBPCGSolMgr: \"Block Size\" parameter must be strictly positive.");

  maxIters_ = pl.get("Maximum Iterations",maxIters_);
}



template<class ScalarType, class MV, class OP>
ReturnType
SimpleLOBPCGSolMgr<ScalarType,MV,OP>::solve() {

  // sort manager
  Teuchos::RCP<BasicSort<MagnitudeType> > sorter = Teuchos::rcp( new BasicSort<MagnitudeType>(whch_) );
  // output manager
  Teuchos::RCP<OutputManager<ScalarType> > printer = Teuchos::rcp( new OutputManager<ScalarType>(verb_,osp_) );
  // status tests
  Teuchos::RCP<StatusTestMaxIters<ScalarType,MV,OP> > max;
  if (maxIters_ > 0) {
    max = Teuchos::rcp( new StatusTestMaxIters<ScalarType,MV,OP>(maxIters_) );
  }
  else {
    max = Teuchos::null;
  }
  Teuchos::RCP<StatusTestResNorm<ScalarType,MV,OP> > norm
      = Teuchos::rcp( new StatusTestResNorm<ScalarType,MV,OP>(tol_) );
  Teuchos::Array< Teuchos::RCP<StatusTest<ScalarType,MV,OP> > > alltests;
  alltests.push_back(norm);
  if (max != Teuchos::null) alltests.push_back(max);
  Teuchos::RCP<StatusTestCombo<ScalarType,MV,OP> > combo
      = Teuchos::rcp( new StatusTestCombo<ScalarType,MV,OP>(
              StatusTestCombo<ScalarType,MV,OP>::OR, alltests
        ));
  // printing StatusTest
  Teuchos::RCP<StatusTestOutput<ScalarType,MV,OP> > outputtest
    = Teuchos::rcp( new StatusTestOutput<ScalarType,MV,OP>( printer,combo,1,Passed ) );
  // orthomanager
  Teuchos::RCP<SVQBOrthoManager<ScalarType,MV,OP> > ortho
    = Teuchos::rcp( new SVQBOrthoManager<ScalarType,MV,OP>(problem_->getM()) );
  // parameter list
  Teuchos::ParameterList plist;
  plist.set("Block Size",blockSize_);
  plist.set("Full Ortho",true);

  // create an LOBPCG solver
  Teuchos::RCP<LOBPCG<ScalarType,MV,OP> > lobpcg_solver
    = Teuchos::rcp( new LOBPCG<ScalarType,MV,OP>(problem_,sorter,printer,outputtest,ortho,plist) );
  // add the auxillary vecs from the eigenproblem to the solver
  if (problem_->getAuxVecs() != Teuchos::null) {
    lobpcg_solver->setAuxVecs( Teuchos::tuple<Teuchos::RCP<const MV> >(problem_->getAuxVecs()) );
  }

  int numfound = 0;
  int nev = problem_->getNEV();
  Teuchos::Array< Teuchos::RCP<MV> > foundvecs;
  Teuchos::Array< Teuchos::RCP< std::vector<MagnitudeType> > > foundvals;
  while (numfound < nev) {
    // reduce the strain on norm test, if we are almost done
    if (nev - numfound < blockSize_) {
      norm->setQuorum(nev-numfound);
    }

    // tell the solver to iterate
    try {
      lobpcg_solver->iterate();
    }
    catch (const std::exception &e) {
      // we are a simple solver manager. we don't catch exceptions. set solution empty, then rethrow.
      printer->stream(Anasazi::Errors) << "Exception: " << e.what() << std::endl;
      Eigensolution<ScalarType,MV> sol;
      sol.numVecs = 0;
      problem_->setSolution(sol);
      throw;
    }

    // check the status tests
    if (norm->getStatus() == Passed) {

      int num = norm->howMany();
      // if num < blockSize_, it is because we are on the last iteration: num+numfound>=nev
      TEUCHOS_TEST_FOR_EXCEPTION(num < blockSize_ && num+numfound < nev,
                         std::logic_error,
                         "Anasazi::SimpleLOBPCGSolMgr::solve(): logic error.");
      std::vector<int> ind = norm->whichVecs();
      // just grab the ones that we need
      if (num + numfound > nev) {
        num = nev - numfound;
        ind.resize(num);
      }

      // copy the converged eigenvectors
      Teuchos::RCP<MV> newvecs = MVT::CloneCopy(*lobpcg_solver->getRitzVectors(),ind);
      // store them
      foundvecs.push_back(newvecs);
      // add them as auxiliary vectors
      Teuchos::Array<Teuchos::RCP<const MV> > auxvecs = lobpcg_solver->getAuxVecs();
      auxvecs.push_back(newvecs);
      // setAuxVecs() will reset the solver to uninitialized, without messing with numIters()
      lobpcg_solver->setAuxVecs(auxvecs);

      // copy the converged eigenvalues
      Teuchos::RCP<std::vector<MagnitudeType> > newvals = Teuchos::rcp( new std::vector<MagnitudeType>(num) );
      std::vector<Value<ScalarType> > all = lobpcg_solver->getRitzValues();
      for (int i=0; i<num; i++) {
        (*newvals)[i] = all[ind[i]].realpart;
      }
      foundvals.push_back(newvals);

      numfound += num;
    }
    else if (max != Teuchos::null && max->getStatus() == Passed) {

      int num = norm->howMany();
      std::vector<int> ind = norm->whichVecs();

      if (num > 0) {
        // copy the converged eigenvectors
        Teuchos::RCP<MV> newvecs = MVT::CloneCopy(*lobpcg_solver->getRitzVectors(),ind);
        // store them
        foundvecs.push_back(newvecs);
        // don't bother adding them as auxiliary vectors; we have reached maxiters and are going to quit

        // copy the converged eigenvalues
        Teuchos::RCP<std::vector<MagnitudeType> > newvals = Teuchos::rcp( new std::vector<MagnitudeType>(num) );
        std::vector<Value<ScalarType> > all = lobpcg_solver->getRitzValues();
        for (int i=0; i<num; i++) {
          (*newvals)[i] = all[ind[i]].realpart;
        }
        foundvals.push_back(newvals);

        numfound += num;
      }
      break;  // while(numfound < nev)
    }
    else {
      TEUCHOS_TEST_FOR_EXCEPTION(true,std::logic_error,"Anasazi::SimpleLOBPCGSolMgr::solve(): solver returned without satisfy status test.");
    }
  } // end of while(numfound < nev)

  TEUCHOS_TEST_FOR_EXCEPTION(foundvecs.size() != foundvals.size(),std::logic_error,"Anasazi::SimpleLOBPCGSolMgr::solve(): inconsistent array sizes");

  // create contiguous storage for all eigenvectors, eigenvalues
  Eigensolution<ScalarType,MV> sol;
  sol.numVecs = numfound;
  if (numfound > 0) {
    // allocate space for eigenvectors
    sol.Evecs = MVT::Clone(*problem_->getInitVec(),numfound);
  }
  else {
    sol.Evecs = Teuchos::null;
  }
  sol.Espace = sol.Evecs;
  // allocate space for eigenvalues
  std::vector<MagnitudeType> vals(numfound);
  sol.Evals.resize(numfound);
  // all real eigenvalues: set index vectors [0,...,numfound-1]
  sol.index.resize(numfound,0);
  // store eigenvectors, eigenvalues
  int curttl = 0;
  for (unsigned int i=0; i<foundvals.size(); i++) {
    TEUCHOS_TEST_FOR_EXCEPTION((signed int)(foundvals[i]->size()) != MVT::GetNumberVecs(*foundvecs[i]), std::logic_error, "Anasazi::SimpleLOBPCGSolMgr::solve(): inconsistent sizes");
    unsigned int lclnum = foundvals[i]->size();
    std::vector<int> lclind(lclnum);
    for (unsigned int j=0; j<lclnum; j++) lclind[j] = curttl+j;
    // put the eigenvectors
    MVT::SetBlock(*foundvecs[i],lclind,*sol.Evecs);
    // put the eigenvalues
    std::copy( foundvals[i]->begin(), foundvals[i]->end(), vals.begin()+curttl );

    curttl += lclnum;
  }
  TEUCHOS_TEST_FOR_EXCEPTION( curttl != sol.numVecs, std::logic_error, "Anasazi::SimpleLOBPCGSolMgr::solve(): inconsistent sizes");

  // sort the eigenvalues and permute the eigenvectors appropriately
  if (numfound > 0) {
    std::vector<int> order(sol.numVecs);
    sorter->sort(vals,Teuchos::rcpFromRef(order),sol.numVecs);
    // store the values in the Eigensolution
    for (int i=0; i<sol.numVecs; i++) {
      sol.Evals[i].realpart = vals[i];
      sol.Evals[i].imagpart = MT::zero();
    }
    // now permute the eigenvectors according to order
    SolverUtils<ScalarType,MV,OP> msutils;
    msutils.permuteVectors(sol.numVecs,order,*sol.Evecs);
  }

  // print final summary
  lobpcg_solver->currentStatus(printer->stream(FinalSummary));

  // print timing information
#ifdef ANASAZI_TEUCHOS_TIME_MONITOR
  if ( printer->isVerbosity( TimingDetails ) ) {
    Teuchos::TimeMonitor::summarize( printer->stream( TimingDetails ) );
  }
#endif

  // send the solution to the eigenproblem
  problem_->setSolution(sol);
  printer->stream(Debug) << "Returning " << sol.numVecs << " eigenpairs to eigenproblem." << std::endl;

  // get the number of iterations performed for this solve.
  numIters_ = lobpcg_solver->getNumIters();

  // return from SolMgr::solve()
  if (sol.numVecs < nev) return Unconverged;
  return Converged;
}




} // end Anasazi namespace

#endif /* ANASAZI_SIMPLE_LOBPCG_SOLMGR_HPP */