one_flavor_ratio_rat_conv_monomial5d_w.h

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// -*- C++ -*-
 
/*! @file
 * @brief One flavor ratio of rational monomials using RHMC
 */
 
#ifndef __one_flavor_ratio_rat_conv_monomial5d_w_h__
#define __one_flavor_ratio_rat_conv_monomial5d_w_h__
 
#include "unprec_wilstype_fermact_w.h"
#include "eoprec_constdet_wilstype_fermact_w.h"
#include "update/molecdyn/monomial/abs_monomial.h"
#include "update/molecdyn/monomial/force_monitors.h"
#include "update/molecdyn/monomial/remez_coeff.h"
 
#include <typeinfo>
 
namespace Chroma
{
  //-------------------------------------------------------------------------------------------
  //! Exact 1 flavor fermact monomial in extra dimensions
  /*! @ingroup monomial
   *
   * Exact 1 flavor fermact monomial. Preconditioning is not
   * specified yet.
   * Can supply a default dsdq and pseudoferm refresh algorithm
   */
  template<typename P, typename Q, typename Phi>
  class OneFlavorRatioRatConvExactWilsonTypeFermMonomial5D : public ExactWilsonTypeFermMonomial5D<P,Q,Phi>
  {
  public:
    //! virtual destructor:
    ~OneFlavorRatioRatConvExactWilsonTypeFermMonomial5D() {}
 
    //! Compute the total action
    virtual Double S(const AbsFieldState<P,Q>& s)  = 0;
 
    //! Compute dsdq for the system... 
    /*! Monomial of the form  chi^dag*(M^dag*M)*chi */
    virtual void dsdq(P& F, const AbsFieldState<P,Q>& s) 
      {
        START_CODE();
 
        // SelfIdentification/Encapsultaion Rule
        XMLWriter& xml_out = TheXMLLogWriter::Instance();
        push(xml_out, "OneFlavorRatioRatConvExactWilsonTypeFermMonomial5D");
 
        /**** Identical code for unprec and even-odd prec case *****/
      
        // S_f = chi^dag* P(V^dag*V)/Q(V^dag*V)* N(M^dag*M)/D(M^dag*M)* P(V^dag*V)/Q(V^dag*V)* chi
        //
        // Here, M is some 5D operator and V is the Pauli-Villars field
        // N and D makeup the rat. poly of the M term and P and & makeup the rat.poly of the den term
        //
        // Need
        // dS_f/dU = - \sum_i psi_i^dag * n_i * [d(M^dag)*M + M^dag*dM] * psi
        //
        //    where    psi_i   = (M^dag*M + n_i)^(-1)*chi
        //
        // In Balint's notation, the result is  
        // \dot{S} = -\sum_i p_i [ X_i^dag*\dot{M}^\dag*Y_i - Y_i^dag\dot{M}*X_i]
        // where
        //    X_i = (M^dag*M + q_i)^(-1)*chi   Y_i = M*X_i
        // In Robert's notation,  X_i -> psi_i .
        //
        const WilsonTypeFermAct5D<Phi,P,Q>& FA = getNumerFermAct();
      
        // Create a state for linop
        Handle< FermState<Phi,P,Q> > state(FA.createState(s.getQ()));
        
        // Start the force
        F.resize(Nd);
        F = zero;
 
        // Force term for the linop
        // Get multi-shift system solver
        Handle< MdagMMultiSystemSolverArray<Phi> > invMdagM(FA.mInvMdagM(state, getNumerForceInvParams()));
 
        // Get linear operator
        Handle< const DiffLinearOperatorArray<Phi,P,Q> > M(FA.linOp(state));
        
        // Partial Fraction Expansion coeffs for force
        const RemezCoeff_t& fpfe = getNumerFPFE();
 
        multi1d< multi1d<Phi> > X;
        multi1d<Phi> Y;
        P  F_1, F_2, F_tmp(Nd);
        multi1d<int> n_m_count(getNPF());
 
        // Loop over the pseudoferms
        for(int n=0; n < getNPF(); ++n)
        {
          // The multi-shift inversion
          SystemSolverResults_t res = (*invMdagM)(X, fpfe.pole, getPhi()[n]);
          n_m_count[n] = res.n_count;
 
          // Loop over solns and accumulate force contributions
          F_tmp = zero;
          for(int i=0; i < X.size(); ++i)
          {
            (*M)(Y, X[i], PLUS);
 
            // The  d(M^dag)*M  term
            M->deriv(F_1, X[i], Y, MINUS);
      
            // The  M^dag*d(M)  term
            M->deriv(F_2, Y, X[i], PLUS);
            F_1 += F_2;
 
            // Reweight each contribution in partial fraction
            for(int mu=0; mu < F.size(); mu++)
              F_tmp[mu] -= fpfe.res[i] * F_1[mu];
          }
 
          // We are not monitoring by pole anymore, so I will
          // Just accumulate this and take one derivative at the end
          F += F_tmp;                  // add on base force terms
        }
 
        // Take the derivative with respect to possibly fat links
        state->deriv(F);
 
        // Write out the n_count array and the Forces for the Base Operator
        write(xml_out, "n_m_count", n_m_count);    
        monitorForces(xml_out, "ForcesOperator", F);
        
        monitorForces(xml_out, "Forces", F);
 
        pop(xml_out);
    
        END_CODE();
      }
 
  
    //! Refresh pseudofermions
    /*!
     * This routine calculates the pseudofermion field (chi) for the case
     * of rational evolution
     *
     *           chi =  n(Q)*[d(Q)]^(-1) * eta
     * Where:    Q   = M^dag*M
     *           d(Q) = (Q+q_1)*(Q+q_2)*...*(Q+q_m)
     *           n(Q) = (Q+p_1)*(Q+p_2)*...  *(Q+p_m)
     *           m  = SIRatDeg
     *                                                          
     * The rational function n(x)/d(x) is the optimal rational
     * approximation to the inverse square root of N(x)/D(x) which in
     * turn is the optimal rational approximation to x^(-alpha).
     * Here, alpha = 1/2
     *
     * To solve {n(Q)*[d(Q)]^(-1) * eta} the partial fraction expansion is
     * used in combination with a multishift solver.
     */
    virtual void refreshInternalFields(const AbsFieldState<P,Q>& s) 
      {
        START_CODE();
 
        // SelfIdentification/Encapsultaion Rule
        XMLWriter& xml_out = TheXMLLogWriter::Instance();
        push(xml_out, "OneFlavorRatioRatConvExactWilsonTypeFermMonomial5DRefresh");
 
        // Heatbath all the fields
      
        // Get at the ferion action for piece i
        const WilsonTypeFermAct5D<Phi,P,Q>& FA = getNumerFermAct();
      
        // Create a Connect State, apply fermionic boundaries
        Handle< FermState<Phi,P,Q> > f_state(FA.createState(s.getQ()));
      
        // Force terms
        const int N5 = FA.size();
 
        // Pseudofermions for M term
        multi1d<int> n_m_count(getNPF());
        getPhi().resize(getNPF()); // Will hold nth-root pseudoferms
 
        // Get multi-shift system solver
        Handle< MdagMMultiSystemSolverArray<Phi> > invMdagM(FA.mInvMdagM(f_state, getNumerActionInvParams()));
 
        // Get linear operator
        Handle< const DiffLinearOperatorArray<Phi,P,Q> > M(FA.linOp(f_state));
      
        // Partial Fraction Expansion coeffs for heat-bath
        const RemezCoeff_t& sipfe = getNumerSIPFE();
 
        multi1d<Phi> eta(N5);
        
        // Loop over the pseudoferms
        for(int n=0; n < getNPF(); ++n)
        {
          // Fill the eta field with gaussian noise
          eta = zero;
          for(int i=0; i < N5; ++i)
            gaussian(eta[i], M->subset());
 
          // Account for fermion BC by modifying the proposed field
          FA.getFermBC().modifyF(eta);
      
          // Temporary: Move to correct normalisation
          for(int i=0; i < N5; ++i)
            eta[i][M->subset()] *= sqrt(0.5);
      
          // The multi-shift inversion
          multi1d< multi1d<Phi> > X;
          SystemSolverResults_t res = (*invMdagM)(X, sipfe.pole, eta);
          n_m_count[n] = res.n_count;
 
          // Sanity checks
          if (X.size() != sipfe.pole.size())
            QDP_error_exit("%s : sanity failure, internal size not getSIPartFracRoot size", __func__);
          
          if (X[0].size() != N5)
            QDP_error_exit("%s : sanity failure, internal size not N5", __func__);
 
          // Weight solns to make final PF field
          getPhi()[n].resize(N5);
          getPhi()[n] = zero;
          // Loop over each 5d slice
          for(int j=0; j < N5; ++j)
          {
            getPhi()[n][j][M->subset()] = sipfe.norm * eta[j];
            for(int i=0; i < X.size(); ++i)
              getPhi()[n][j][M->subset()] += sipfe.res[i] * X[i][j];
          }
        }
 
 
        write(xml_out, "n_m_count", n_m_count);
        pop(xml_out);
    
        END_CODE();
      }
 
 
    //! Copy internal fields
    virtual void setInternalFields(const Monomial<P,Q>& m) 
      {
        START_CODE();
 
        try 
        {
          const OneFlavorRatioRatConvExactWilsonTypeFermMonomial5D<P,Q,Phi>& fm = dynamic_cast< const OneFlavorRatioRatConvExactWilsonTypeFermMonomial5D<P,Q,Phi>& >(m);
 
          // Do a resize here -- otherwise if the fields have not yet
          // been refreshed there may be trouble
          getPhi().resize(fm.getPhi().size());
          for(int i=0 ; i < fm.getPhi().size(); i++) { 
            (getPhi())[i] = (fm.getPhi())[i];
          }
        }
        catch(std::bad_cast) { 
          QDPIO::cerr << "Failed to cast input Monomial to OneFlavorRatioRatConvExactWilsonTypeFermMonomial5D" << std::endl;
          QDP_abort(1);
        }
    
        END_CODE();
      }
  
 
    //! Compute action on the appropriate subset
    /*! 
     * This may only be a Piece Of The Action
     *
     * This function measures the pseudofermion contribution to the Hamiltonian
     * for the case of rational evolution (with polynomials n(x) and d(x),
     * of degree SRatDeg
     *
     * S_f = chi_dag * (n(A)*d(A)^(-1))^2* chi
     *
     * where A is M^dag*M
     *
     * The rational function n(x)/d(x) is the optimal rational
     * approximation to the square root of N(x)/D(x) which in
     * turn is the optimal rational approximation to x^(-alpha).
     * Here, alpha = 1/2
     */
    virtual Double S_subset(const AbsFieldState<P,Q>& s) const
      {
        START_CODE();
 
        XMLWriter& xml_out = TheXMLLogWriter::Instance();
        push(xml_out, "S_subset");
 
        const WilsonTypeFermAct5D<Phi,P,Q>& FA = getNumerFermAct();
 
        // Create a Connect State, apply fermionic boundaries
        Handle< FermState<Phi,P,Q> > bc_g_state(FA.createState(s.getQ()));
 
        // Force terms
        const int N5 = FA.size();
 
        // Action for M term
        Double action_m = zero;
        multi1d<int> n_m_count(getNPF());
 
        // Get multi-shift system solver
        Handle< MdagMMultiSystemSolverArray<Phi> > invMdagM(FA.mInvMdagM(bc_g_state, getNumerActionInvParams()));
 
        // Get linear operator
        Handle< const DiffLinearOperatorArray<Phi,P,Q> > M(FA.linOp(bc_g_state));
 
        // Partial Fraction Expansion coeffs for action
        const RemezCoeff_t& spfe = getNumerSPFE();
 
        // Get X out here via multisolver
        multi1d< multi1d<Phi> > X;
        multi1d<Phi> tmp(N5);
 
        // Loop over the pseudoferms
        for(int n=0; n < getNPF(); ++n)
        {
          // The multi-shift inversion
          SystemSolverResults_t res = (*invMdagM)(X, spfe.pole, getPhi()[n]);
          n_m_count[n] = res.n_count;
 
          // Sanity checks
          if (X.size() != spfe.pole.size())
            QDP_error_exit("%s : sanity failure, internal size not getSPartFracRoot size", __func__);
        
          if (X[0].size() != N5)
            QDP_error_exit("%s : sanity failure, internal size not N5", __func__);
 
          // Weight solns
          // Loop over each 5d slice
          for(int j=0; j < N5; ++j)
          {
            tmp[j][M->subset()] = spfe.norm * getPhi()[n][j];
            for(int i=0; i < X.size(); ++i)
              tmp[j][M->subset()] += spfe.res[i] * X[i][j];
          }
 
          // Action on the subset
          action_m += norm2(tmp, M->subset());
        }
 
 
        write(xml_out, "n_m_count", n_m_count);
        write(xml_out, "S_m", action_m);
        Double action = action_m;
        write(xml_out, "S", action);
        pop(xml_out);
    
        END_CODE();
 
        return action;
      }
 
 
  protected:
    //! Get at fermion action
    virtual const WilsonTypeFermAct5D<Phi,P,Q>& getFermAct() const
      {return getNumerFermAct();}
 
    //! Get at fermion action
    virtual const WilsonTypeFermAct5D<Phi,P,Q>& getNumerFermAct() const = 0;
 
    //! Get at fermion action
    virtual const WilsonTypeFermAct5D<Phi,P,Q>& getDenomFermAct() const = 0;
 
    //! Get inverter params
    virtual const GroupXML_t& getNumerActionInvParams(void) const = 0;
 
    //! Get inverter params
    virtual const GroupXML_t& getNumerForceInvParams(void) const = 0;
 
    //! Return the partial fraction expansion for the force calc
    virtual const RemezCoeff_t& getNumerFPFE() const = 0;
 
    //! Return the partial fraction expansion for the action calc
    virtual const RemezCoeff_t& getNumerSPFE() const = 0;
 
    //! Return the partial fraction expansion for the heat-bath
    virtual const RemezCoeff_t& getNumerSIPFE() const = 0;
 
    //! Accessor for pseudofermion (read only)
    virtual const multi1d< multi1d<Phi> >& getPhi(void) const = 0;
 
    //! mutator for pseudofermion
    virtual multi1d< multi1d<Phi> >& getPhi(void) = 0;    
 
    //! Return number of pseudofermions
    virtual int getNPF() const = 0;
  };
 
 
  //-------------------------------------------------------------------------------------------
  //! Exact 1 flavor unpreconditioned fermact monomial living in extra dimensions
  /*! @ingroup monomial
   *
   * Exact 1 flavor unpreconditioned fermact monomial.
   */
  template<typename P, typename Q, typename Phi>
  class OneFlavorRatioRatConvExactUnprecWilsonTypeFermMonomial5D : public OneFlavorRatioRatConvExactWilsonTypeFermMonomial5D<P,Q,Phi>
  {
  public:
    //! virtual destructor:
    ~OneFlavorRatioRatConvExactUnprecWilsonTypeFermMonomial5D() {}
 
    //! Compute the total action
    virtual Double S(const AbsFieldState<P,Q>& s) 
      {
        START_CODE();
 
        XMLWriter& xml_out=TheXMLLogWriter::Instance();
        push(xml_out, "OneFlavorRatioRatConvExactUnprecWilsonTypeFermMonomial5D");
 
        Double action = this->S_subset(s);
 
        write(xml_out, "S", action);
        pop(xml_out);
    
        END_CODE();
 
        return action;
      }
 
 
  protected:
    //! Get at fermion action
    virtual const UnprecWilsonTypeFermAct5D<Phi,P,Q>& getNumerFermAct() const = 0;
 
    //! Get at fermion action
    virtual const UnprecWilsonTypeFermAct5D<Phi,P,Q>& getDenomFermAct() const = 0;
  };
 
 
  //-------------------------------------------------------------------------------------------
  //! Exact 1 flavor even-odd preconditioned fermact monomial living in extra dimensions
  /*! @ingroup monomial
   *
   * Exact 1 flavor even-odd preconditioned fermact monomial.
   * Can supply a default dsdq algorithm
   */
  template<typename P, typename Q, typename Phi>
  class OneFlavorRatioRatConvExactEvenOddPrecWilsonTypeFermMonomial5D : public OneFlavorRatioRatConvExactWilsonTypeFermMonomial5D<P,Q,Phi>
  {
  public:
    //! virtual destructor:
    ~OneFlavorRatioRatConvExactEvenOddPrecWilsonTypeFermMonomial5D() {}
 
    //! Even even contribution (eg ln det Clover)
    virtual Double S_even_even(const AbsFieldState<P,Q>& s)  = 0;
 
    //! Compute the odd odd contribution (eg
    virtual Double S_odd_odd(const AbsFieldState<P,Q>& s) 
      {
        return this->S_subset(s);
      }
 
    //! Compute the total action
    Double S(const AbsFieldState<P,Q>& s) 
      {
        START_CODE();
 
        XMLWriter& xml_out=TheXMLLogWriter::Instance();
        push(xml_out, "OneFlavorRatioRatConvExactEvenOddPrecWilsonTypeFermMonomial5D");
 
        Double action_e = S_even_even(s);
        Double action_o = S_odd_odd(s);
        Double action   = action_e + action_o;
 
        write(xml_out, "S_even_even", action_e);
        write(xml_out, "S_odd_odd", action_o);
        write(xml_out, "S", action);
        pop(xml_out);
 
        END_CODE();
 
        return action;
      }
 
  protected:
    //! Get at fermion action
    virtual const EvenOddPrecWilsonTypeFermAct5D<Phi,P,Q>& getNumerFermAct() const = 0;
 
    //! Get at fermion action
    virtual const EvenOddPrecWilsonTypeFermAct5D<Phi,P,Q>& getDenomFermAct() const = 0;
  };
 
  //-------------------------------------------------------------------------------------------
  //! Exact 1 flavor even-odd preconditioned fermact monomial living in extra dimensions
  /*! @ingroup monomial
   *
   * Exact 1 flavor even-odd preconditioned fermact monomial.
   * Can supply a default dsdq algorithm
   */
  template<typename P, typename Q, typename Phi>
  class OneFlavorRatioRatConvExactEvenOddPrecConstDetWilsonTypeFermMonomial5D : 
    public OneFlavorRatioRatConvExactEvenOddPrecWilsonTypeFermMonomial5D<P,Q,Phi>
  {
  public:
    //! virtual destructor:
    ~OneFlavorRatioRatConvExactEvenOddPrecConstDetWilsonTypeFermMonomial5D() {}
 
    //! Even even contribution (eg ln det Clover)
    virtual Double S_even_even(const AbsFieldState<P,Q>& s) {
      return Double(0);
    }
 
 
  protected:
    //! Get at fermion action
    virtual const EvenOddPrecWilsonTypeFermAct5D<Phi,P,Q>& getNumerFermAct() const = 0;
 
    //! Get at fermion action
    virtual const EvenOddPrecWilsonTypeFermAct5D<Phi,P,Q>& getDenomFermAct() const = 0;
  };
 
}
 
 
#endif