mirror of
https://github.com/triqs/dft_tools
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290 lines
12 KiB
C++
290 lines
12 KiB
C++
/*******************************************************************************
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*
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* TRIQS: a Toolbox for Research in Interacting Quantum Systems
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*
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* Copyright (C) 2011-2013 by M. Ferrero, O. Parcollet
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*
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* TRIQS is free software: you can redistribute it and/or modify it under the
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* terms of the GNU General Public License as published by the Free Software
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* Foundation, either version 3 of the License, or (at your option) any later
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* version.
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*
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* TRIQS is distributed in the hope that it will be useful, but WITHOUT ANY
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* WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS
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* FOR A PARTICULAR PURPOSE. See the GNU General Public License for more
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* details.
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*
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* You should have received a copy of the GNU General Public License along with
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* TRIQS. If not, see <http://www.gnu.org/licenses/>.
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*
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******************************************************************************/
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#ifndef TRIQS_TOOLS_MC_MOVE_SET2_H
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#define TRIQS_TOOLS_MC_MOVE_SET2_H
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#include <triqs/utility/report_stream.hpp>
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#include <triqs/utility/exceptions.hpp>
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#include <functional>
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#include <boost/mpi.hpp>
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#include "./random_generator.hpp"
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#include "./impl_tools.hpp"
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namespace triqs { namespace mc_tools {
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// mini concept checking
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template<typename MCSignType, typename T, typename Enable=MCSignType> struct has_attempt : std::false_type {};
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template<typename MCSignType, typename T> struct has_attempt <MCSignType, T, decltype(MCSignType(std::declval<T>().attempt()))> : std::true_type {};
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template<typename MCSignType, typename T, typename Enable=MCSignType> struct has_accept : std::false_type {};
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template<typename MCSignType, typename T> struct has_accept <MCSignType,T, decltype(std::declval<T>().accept())> : std::true_type {};
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template<typename T, typename Enable=void> struct has_reject : std::false_type {};
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template<typename T> struct has_reject<T, decltype(std::declval<T>().reject())> : std::true_type {};
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//----------------------------------
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template<typename MCSignType>
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class move {
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std::shared_ptr<void> impl_;
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std::function<move()> clone_;
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size_t hash_;
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std::string type_name_;
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std::function<MCSignType()> attempt_, accept_;
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std::function<void()> reject_;
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std::function<void(h5::group, std::string const &)> h5_r, h5_w;
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uint64_t NProposed, Naccepted;
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double acceptance_rate_;
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template<typename MoveType>
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void construct_delegation (MoveType * p) {
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impl_= std::shared_ptr<MoveType> (p);
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hash_ = typeid(MoveType).hash_code();
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type_name_ = typeid(MoveType).name();
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clone_ = [p](){return MoveType(*p);};
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attempt_ = [p](){return p->attempt();};
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accept_ = [p](){return p->accept();};
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reject_ = [p](){p->reject();};
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h5_r = make_h5_read(p); // make_h5_read in impl_tools
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h5_w = make_h5_write(p);
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NProposed=0;
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Naccepted=0;
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acceptance_rate_ =-1;
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}
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public :
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template<typename MoveType>
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move (MoveType && p ) {
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static_assert( is_move_constructible<MoveType>::value, "This move is not MoveConstructible");
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static_assert( has_attempt<MCSignType,MoveType>::value, "This move has no attempt method (or is has an incorrect signature) !");
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static_assert( has_accept<MCSignType,MoveType>::value, "This move has no accept method (or is has an incorrect signature) !");
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static_assert( has_reject<MoveType>::value, "This move has no reject method (or is has an incorrect signature) !");
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construct_delegation( new typename std::remove_reference<MoveType>::type(std::forward<MoveType>(p)));
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}
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// Close to value semantics. Everyone at the end call move = ...
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// no default constructor.
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move(move const &rhs) {*this = rhs;}
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move(move &rhs) {*this = rhs;} // to avoid clash with tempalte construction !
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move(move && rhs) { *this = std::move(rhs);}
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move & operator = (move const & rhs) { *this = rhs.clone_(); return *this;}
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move & operator = (move && rhs) = default;
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MCSignType attempt(){ NProposed++; return attempt_();}
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MCSignType accept() { Naccepted++; return accept_(); }
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void reject() { reject_(); }
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double acceptance_rate() const { return acceptance_rate_;}
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void collect_statistics(boost::mpi::communicator const & c) {
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uint64_t nacc_tot=0, nprop_tot=1;
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boost::mpi::reduce(c, Naccepted, nacc_tot, std::plus<uint64_t>(), 0);
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boost::mpi::reduce(c, NProposed, nprop_tot, std::plus<uint64_t>(), 0);
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acceptance_rate_ = nacc_tot/static_cast<double>(nprop_tot);
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}
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// true iif the stored object has type MoveType Cf hash_code doc.
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template<typename MoveType> bool has_type() const { return (typeid(MoveType).hash_code() == hash_); };
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template<typename MoveType> void check_type() const {
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if (!(has_type<MoveType>()))
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TRIQS_RUNTIME_ERROR << "Trying to retrieve a move of type "<< typeid(MoveType).name() << " from a move of type "<< type_name_;
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};
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// retrieve an object of the correct type
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template<typename MoveType> MoveType & get() { check_type<MoveType>(); return *(static_cast<MoveType *>(impl_.get())); }
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template<typename MoveType> MoveType const & get() const { check_type<MoveType>(); return *(static_cast<MoveType const *>(impl_.get())); }
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// redirect the h5 call to the object lambda, if it not empty (i.e. if the underlying object can be called with h5_read/write
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friend void h5_write (h5::group g, std::string const & name, move const & m){ if (m.h5_w) m.h5_w(g,name);};
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friend void h5_read (h5::group g, std::string const & name, move & m) { if (m.h5_r) m.h5_r(g,name);};
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};
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//--------------------------------------------------------------------
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/// A vector of (moves, proposition_probability), which is also a move itself
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template<typename MCSignType>
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class move_set {
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std::vector<move<MCSignType> > move_vec;
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std::vector<std::string> names_;
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move<MCSignType> * current;
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size_t current_move_number;
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random_generator * RNG;
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std::vector<double> Proba_Moves, Proba_Moves_Acc_Sum;
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MCSignType try_sign_ratio;
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uint64_t debug_counter;
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public:
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///
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move_set(random_generator & R): RNG(&R) { Proba_Moves.push_back(0); debug_counter=0;}
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///
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move_set(move_set const &) = default;
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move_set(move_set &&) = default;
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move_set& operator = (move_set const &) = default;
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move_set& operator = (move_set &&) = default;
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/**
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* Add move M with its probability of being proposed.
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* NB : the proposition_probability needs to be >0 but does not need to be
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* normalized. Normalization is automatically done with all the added moves
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* before starting the run
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*/
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template <typename MoveType>
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void add (MoveType && M, std::string name, double proposition_probability) {
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move_vec.emplace_back(std::forward<MoveType>(M));
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assert(proposition_probability >=0);
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Proba_Moves.push_back(proposition_probability);
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names_.push_back(name);
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normaliseProba();// ready to run after each add !
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}
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/**
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* - Picks up one of the move at random (weighted by their proposition probability),
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* - Call attempt method of that move
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* - Returns the metropolis ratio R (see move concept).
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* The sign ratio returned by the try method of the move is kept.
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*/
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double attempt() {
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assert( Proba_Moves_Acc_Sum.size()>0);
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// Choice of move with its probability
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double proba = (*RNG)(); assert(proba>=0);
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current_move_number =0; while (proba >= Proba_Moves_Acc_Sum[current_move_number] ) { current_move_number++;}
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assert(current_move_number>0); assert(current_move_number<=move_vec.size());
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current_move_number--;
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current = & move_vec[current_move_number];
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#ifdef TRIQS_TOOLS_MC_DEBUG
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std::cerr << "*******************************************************"<< std::endl;
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std::cerr << "move number : " << debug_counter++ << std::endl;
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std::cerr << "Name of the proposed move: " << name_of_currently_selected() << std::endl;
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std::cerr <<" Proposition probability = "<<proba<<std::endl;
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#endif
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MCSignType rate_ratio = current->attempt();
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if (!std::isfinite(std::abs(rate_ratio)))
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TRIQS_RUNTIME_ERROR<<"Monte Carlo Error : the rate is not finite in move "<<name_of_currently_selected();
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double abs_rate_ratio = std::abs(rate_ratio);
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#ifdef TRIQS_TOOLS_MC_DEBUG
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std::cerr << " Metropolis ratio " << rate_ratio<<". Abs(Metropolis ratio) " <<abs_rate_ratio << std::endl;
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#endif
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assert ((abs_rate_ratio>=0));
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try_sign_ratio = ( abs_rate_ratio> 1.e-14 ? rate_ratio/abs_rate_ratio : 1); // keep the sign
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return abs_rate_ratio;
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}
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/**
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* accept the move previously selected and tried.
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* Returns the Sign computed as, if M is the move :
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* Sign = sign (M.attempt()) * M.accept()
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*/
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MCSignType accept() {
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MCSignType accept_sign_ratio = current->accept();
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// just make sure that accept_sign_ratio is a sign!
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assert(std::abs(std::abs(accept_sign_ratio)-1.0) < 1.e-10);
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#ifdef TRIQS_TOOLS_MC_DEBUG
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std::cerr.setf(std::ios::scientific, std::ios::floatfield);
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std::cerr<<" ... Move accepted"<<std::endl;
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std::cerr<<" try_sign_ratio = " << try_sign_ratio <<std::endl;
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std::cerr<<" accept_sign_ratio = "<< accept_sign_ratio <<std::endl;
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std::cerr<<" their product = "<< try_sign_ratio* accept_sign_ratio <<std::endl;
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#endif
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return try_sign_ratio * accept_sign_ratio;
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}
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/** reject the move : Call the reject() method of the move previously selected
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*/
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void reject() {
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#ifdef TRIQS_TOOLS_MC_DEBUG
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std::cerr<<" ... Move rejected"<<std::endl;
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#endif
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current->reject();
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}
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/// Pretty printing of the acceptance probability of the moves.
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std::string get_statistics(boost::mpi::communicator const & c, int shift = 0) {
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std::ostringstream s;
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for (unsigned int u =0; u< move_vec.size(); ++u) {
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move_vec[u].collect_statistics(c);
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for(int i=0; i<shift; i++) s << " ";
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if (move_vec[u].template has_type<move_set>()) {
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auto & ms = move_vec[u].template get<move_set>();
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s << "Move set " << names_[u] << ": " << move_vec[u].acceptance_rate() << "\n";
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s << ms.get_statistics(c,shift+2);
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} else {
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s << "Move " << names_[u] << ": " << move_vec[u].acceptance_rate() << "\n";
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}
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}
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return s.str();
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}
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private:
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void normaliseProba() { // Computes the normalised accumulated probability
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if (move_vec.size() ==0) TRIQS_RUNTIME_ERROR<<" no moves registered";
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double acc = 0;
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Proba_Moves_Acc_Sum.clear();
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for (unsigned int u = 0; u<Proba_Moves.size(); ++u) acc+=Proba_Moves[u];assert(acc>0);
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for (unsigned int u = 0; u<Proba_Moves.size(); ++u) Proba_Moves_Acc_Sum.push_back(Proba_Moves[u]/acc);
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for (unsigned int u = 1; u<Proba_Moves_Acc_Sum.size(); ++u) Proba_Moves_Acc_Sum[u] += Proba_Moves_Acc_Sum[u-1];
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assert(std::abs(Proba_Moves_Acc_Sum[Proba_Moves_Acc_Sum.size()-1] -1)<1.e-13);
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Proba_Moves_Acc_Sum[Proba_Moves_Acc_Sum.size()-1] += 0.001;
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// I shift the last proba acc so that even if random number in onecycle is 1 it is below that bound
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assert(Proba_Moves_Acc_Sum.size()==move_vec.size()+1);
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}
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std::string name_of_currently_selected() const { return names_[current_move_number];}
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public :
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// HDF5 interface
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friend void h5_write (h5::group g, std::string const & name, move_set const & ms){
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auto gr = g.create_group(name);
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for (size_t u=0; u<ms.move_vec.size(); ++u) h5_write(gr,ms.names_[u],ms.move_vec[u]);
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}
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friend void h5_read (h5::group g, std::string const & name, move_set & ms){
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auto gr = g.open_group(name);
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for (size_t u=0; u<ms.move_vec.size(); ++u) h5_read(gr,ms.names_[u],ms.move_vec[u]);
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}
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// access to the move, given its type, with dynamical type check
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template<typename MoveType>
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MoveType & get_move(std::string const & name) {
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int u=0; for (;u<names_.size();++u) { if (names_[u] == name) break;}
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if (u == names_.size()) TRIQS_RUNTIME_ERROR << " Move " << name << " unknown";
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return move_vec[u].template get<MoveType>();
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}
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template<typename MoveType>
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MoveType const & get_move(std::string const & name) const {
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int u=0; for (;u<names_.size();++u) { if (names_[u] == name) break;}
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if (u == names_.size()) TRIQS_RUNTIME_ERROR << " Move " << name << " unknown";
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return move_vec[u].template get<MoveType>();
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}
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};// class move_set
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}}// end namespace
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#endif
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