Unverified Commit c2bbaa35 authored by Peter Doak's avatar Peter Doak Committed by GitHub
Browse files

Merge pull request #263 from PDoakORNL/autocorrelation-weight-cleanup 

Autocorrelation cleanup
parents 5a373f6a ef8456eb

include/dca/phys/dca_step/cluster_solver/ctaux/ctaux_cluster_solver.hpp

+9 −11
Original line number Diff line number Diff line 
// Copyright (C) 2018 ETH Zurich

// Copyright (C) 2018 UT-Battelle, LLC

// Copyright (C) 2021 ETH Zurich

// Copyright (C) 2021 UT-Battelle, LLC

// All rights reserved.

//

// See LICENSE for terms of usage.
@@ -7,6 +7,7 @@ 
//

// Author: Peter Staar (taa@zurich.ibm.com)

//         Giovanni Balduzzi (gbalduzz@itp.phys.ethz.ch)

//         Peter Doak (doakpw@ornl.gov)

//

// Cluster Monte Carlo integrator based on a continuous-time auxilary field (CT-AUX) expansion.

//
@@ -68,9 +69,6 @@ public: 


  static constexpr linalg::DeviceType device = device_t;



protected:

  std::shared_ptr<io::Writer<Concurrency>> writer_;



private:

  using w = func::dmn_0<domains::frequency_domain>;

  using b = func::dmn_0<domains::electron_band_domain>;
@@ -86,7 +84,7 @@ private: 


public:

  CtauxClusterSolver(Parameters& parameters_ref, Data& MOMS_ref,

                     const std::shared_ptr<io::Writer<Concurrency>>& writer = nullptr);

                     const std::shared_ptr<io::Writer<Concurrency>>& writer);



  template <typename Writer>

  void write(Writer& writer);
@@ -148,6 +146,8 @@ protected: 


  int dca_iteration_;



  G0Interpolation<device, typename Walker::Scalar> g0_;



private:

  Rng rng_;
@@ -157,14 +157,15 @@ private: 
  func::function<std::complex<double>, NuNuKClusterWDmn> Sigma_old_;

  func::function<std::complex<double>, NuNuKClusterWDmn> Sigma_new_;



  G0Interpolation<device, typename Walker::Scalar> g0_;



  double accumulated_sign_;

  func::function<std::complex<double>, NuNuRClusterWDmn> M_r_w_;

  func::function<std::complex<double>, NuNuRClusterWDmn> M_r_w_squared_;



  bool averaged_;

  bool compute_jack_knife_;



protected:

  std::shared_ptr<io::Writer<Concurrency>> writer_;

};



template <dca::linalg::DeviceType device_t, class Parameters, class Data, dca::DistType DIST>
@@ -190,11 +191,8 @@ CtauxClusterSolver<device_t, Parameters, Data, DIST>::CtauxClusterSolver( 


      M_r_w_("M_r_w"),

      M_r_w_squared_("M_r_w_squared"),



      averaged_(false),

      writer_(writer) {

  TimeCorrelator<Parameters, typename Walker::Scalar, device>::setG0(g0_);



  if (concurrency_.id() == concurrency_.first())

    std::cout << "\n\n\t CT-AUX Integrator is born \n" << std::endl;

}

include/dca/phys/dca_step/cluster_solver/ctaux/structs/vertex_pair.hpp

+5 −3
Original line number Diff line number Diff line 
// Copyright (C) 2018 ETH Zurich

// Copyright (C) 2018 UT-Battelle, LLC

// Copyright (C) 2021 ETH Zurich

// Copyright (C) 2021 UT-Battelle, LLC

// All rights reserved.

//

// See LICENSE for terms of usage.
@@ -50,6 +50,7 @@ public: 
              uint64_t id);



  this_type& operator=(const this_type& other_vertex_pair);

  vertex_pair(const this_type& other_vertex_pair) = default;

  

  uint64_t get_id() const {

    return id_;
@@ -188,6 +189,7 @@ vertex_pair<parameters_type>::vertex_pair(parameters_type& parameters_ref, rng_t 
      Bennett(false),

      shuffled(false) {}



// \todo replace this sematic changing operator overload 

template <class parameters_type>

vertex_pair<parameters_type>& vertex_pair<parameters_type>::operator=(

    const vertex_pair<parameters_type>& other_vertex_pair)  // --> necessary for push_back

include/dca/phys/dca_step/cluster_solver/ctint/ctint_cluster_solver.hpp

+4 −4
Original line number Diff line number Diff line 
// Copyright (C) 2018 ETH Zurich

// Copyright (C) 2018 UT-Battelle, LLC

// Copyright (C) 2021 ETH Zurich

// Copyright (C) 2021 UT-Battelle, LLC

// All rights reserved.

//

// See LICENSE.txt for terms of usage.

//  See CITATION.md for citation guidelines, if DCA++ is used for scientific publications.

//

// Author: Giovanni Balduzzi(gbalduzz@itp.phys.ethz.ch)

//         Peter Doak(doakpw@ornl.gov)

//

// Cluster Monte Carlo integrator based on a CT-INT algorithm.
@@ -142,12 +143,12 @@ protected: 
  int dca_iteration_ = 0;

  std::shared_ptr<io::Writer<Concurrency>> writer_;



  G0Interpolation<device_t, typename Walker::Scalar> g0_;

private:

  bool perform_tp_accumulation_;

  const LabelDomain label_dmn_;

  std::unique_ptr<Walker> walker_;

  // Walker input.

  G0Interpolation<device_t, Real> g0_;

  Rng rng_;

};
@@ -163,7 +164,6 @@ CtintClusterSolver<DEV, PARAM, use_submatrix, DIST>::CtintClusterSolver( 
      rng_(concurrency_.id(), concurrency_.number_of_processors(), parameters_.get_seed())

{

  Walker::setDMatrixBuilder(g0_);

  //  TimeCorrelator<Parameters, Real, device_t>::setG0(g0_);

  Walker::setInteractionVertices(data_, parameters_);



  if (concurrency_.id() == concurrency_.first())

include/dca/phys/dca_step/cluster_solver/ctint/walker/ctint_walker_base.hpp

+1 −2
Original line number Diff line number Diff line
@@ -246,8 +246,7 @@ void CtintWalkerBase<Parameters, Real, DIST>::initialize(int iteration) { 
  sweeps_per_meas_ = parameters_.get_sweeps_per_measurement().at(iteration);



  sign_ = 1;

  // in some DCA-develop code Giovanni has this set to 0

  mc_log_weight_ = 1.;

  mc_log_weight_ = 0.;



  if (!configuration_.size()) {  // Do not initialize config if it was read.

    while (parameters_.getInitialConfigurationSize() > configuration_.size()) {

include/dca/phys/dca_step/cluster_solver/shared_tools/accumulation/time_correlator.hpp

+9 −19
Original line number Diff line number Diff line 
// Copyright (C) 2018 ETH Zurich

// Copyright (C) 2018 UT-Battelle, LLC

// Copyright (C) 2021 ETH Zurich

// Copyright (C) 2021 UT-Battelle, LLC

// All rights reserved.

//

// See LICENSE for terms of usage.

// See CITATION.md for citation guidelines, if DCA++ is used for scientific publications.

//

// Author: Giovanni Balduzzi (gbalduzz@itp.phys.ethz.ch)

//         Peter Doak (doakpw@ornl.gov)

//

// This class measures the correlation of G(r = 0, t = 0).
@@ -53,19 +54,12 @@ public: 
  template <DeviceType conf_device>

  using Config = linalg::MultiVector<conf_device, Real, int, int>;



  TimeCorrelator(const Parameters& parameters_, int id);

  TimeCorrelator(const Parameters& parameters_, int id, G0Interpolation<device, Real>& g0);



  template <class WalkerConfig, typename RealInp>

  void compute_G_r_t(const std::array<dca::linalg::Matrix<RealInp, device>, 2>& M,

                     const std::array<WalkerConfig, 2>& configs, int sign);



  // TODO: use a shared pointer.

  static void setG0(const G0Interpolation<device, Real>& g0) {

    if constexpr (device == linalg::GPU)

      details::SolverHelper::set<RDmn, BDmn>();

    g0_ = &g0;

  }



  auto& getCorrelators() {

    return autocorrelations_;

  }
@@ -100,7 +94,7 @@ private: 
  constexpr static int n_correlators_ =

      n_bands_ * (n_bands_ + 1) / 2;  // Number of independent entries in a band-band matrix.



  static const inline G0Interpolation<device, Real>* g0_ = nullptr;

  G0Interpolation<device, Real>& g0_;



  const linalg::util::GpuStream& stream_;
@@ -121,11 +115,11 @@ private: 
};



template <class Parameters, typename Real, DeviceType device>

TimeCorrelator<Parameters, Real, device>::TimeCorrelator(const Parameters& parameters_ref, int id)

TimeCorrelator<Parameters, Real, device>::TimeCorrelator(const Parameters& parameters_ref, int id, G0Interpolation<device, Real>& g0)

    : parameters_(parameters_ref),

      concurrency_(parameters_.get_concurrency()),



      thread_id_(id),

      g0_(g0),

      stream_(linalg::util::getStream(thread_id_, 0)) {

  // We're going to make one of these per walker

  // @gbalduzz solution of making this static creates a race with cuda driver shutting down.
@@ -160,10 +154,6 @@ template <class WalkerConfig, typename RealInp> 
void TimeCorrelator<Parameters, Real, device>::compute_G_r_t(

    const std::array<dca::linalg::Matrix<RealInp, device>, 2>& M,

    const std::array<WalkerConfig, 2>& configs, int sign) {

  if (!g0_) {

    throw(std::runtime_error("G0 is not set."));

  }



  // Upload state

  constexpr int n_electron_spins = 1;  // Compute only on up-up sector.
@@ -270,7 +260,7 @@ void TimeCorrelator<Parameters, Real, device>::computeG0(linalg::Matrix<Real, GP 
  G0_mat.resizeNoCopy(std::make_pair(config_l.size(), config_r.size()));



  linalg::MatrixView<Real, device> G0_view(G0_mat);

  details::computeG0(G0_view, *g0_, config_l.template get<0>(), config_l.template get<1>(),

  details::computeG0(G0_view, g0_, config_l.template get<0>(), config_l.template get<1>(),

                     config_l.template get<2>(), config_r.template get<0>(),

                     config_r.template get<1>(), config_r.template get<2>(), stream_);

}
@@ -299,7 +289,7 @@ void TimeCorrelator<Parameters, Real, device>::computeG0(linalg::Matrix<Real, CP 
      const int r = RDmn::parameter_type::subtract(r_r[j], r_l[i]);

      const int label = labels(b_l[i], b_r[j], r);



      G0_mat(i, j) = (*g0_)(tau, label);

      G0_mat(i, j) = g0_(tau, label);

    }

}