diff --git a/src/solver/solvers.cc b/src/solver/solvers.cc index 242d9b3..64b7229 100644 --- a/src/solver/solvers.cc +++ b/src/solver/solvers.cc @@ -1,429 +1,430 @@ /** * @file solvers.cc * * @author Till Junge * * @date 20 Dec 2017 * * @brief implementation of solver functions * * Copyright © 2017 Till Junge * * µSpectre is free software; you can redistribute it and/or * modify it under the terms of the GNU General Public License as * published by the Free Software Foundation, either version 3, or (at * your option) any later version. * * µSpectre is distributed in the hope that it will be useful, but * WITHOUT ANY WARRANTY; without even the implied warranty of * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU * General Public License for more details. * * You should have received a copy of the GNU General Public License * along with GNU Emacs; see the file COPYING. If not, write to the * Free Software Foundation, Inc., 59 Temple Place - Suite 330, * Boston, MA 02111-1307, USA. */ #include "solver/solvers.hh" #include "solver/solver_cg.hh" #include "common/iterators.hh" #include #include #include namespace muSpectre { template std::vector de_geus (CellBase & cell, const GradIncrements & delFs, SolverBase & solver, Real newton_tol, Real equil_tol, Dim_t verbose) { using Field_t = typename MaterialBase::StrainField_t; const Communicator & comm = cell.get_communicator(); auto solver_fields{std::make_unique>()}; solver_fields->initialise(cell.get_resolutions(), cell.get_locations()); // Corresponds to symbol δF or δε auto & incrF{make_field("δF", *solver_fields)}; // Corresponds to symbol ΔF or Δε auto & DeltaF{make_field("ΔF", *solver_fields)}; // field to store the rhs for cg calculations auto & rhs{make_field("rhs", *solver_fields)}; solver.initialise(); if (solver.get_maxiter() == 0) { solver.set_maxiter(cell.size()*DimM*DimM*10); } size_t count_width{}; const auto form{cell.get_formulation()}; std::string strain_symb{}; if (verbose > 0) { //setup of algorithm 5.2 in Nocedal, Numerical Optimization (p. 111) std::cout << "de Geus-" << solver.name() << " for "; switch (form) { case Formulation::small_strain: { strain_symb = "ε"; std::cout << "small"; break; } case Formulation::finite_strain: { strain_symb = "F"; std::cout << "finite"; break; } default: throw SolverError("unknown formulation"); break; } std::cout << " strain with" << std::endl << "newton_tol = " << newton_tol << ", cg_tol = " << solver.get_tol() << " maxiter = " << solver.get_maxiter() << " and Δ" << strain_symb << " =" <(tup)}; auto && grad{std::get<1>(tup)}; std::cout << "Step " << counter + 1 << ":" << std::endl << grad << std::endl; } count_width = size_t(std::log10(solver.get_maxiter()))+1; } // initialise F = I or ε = 0 auto & F{cell.get_strain()}; switch (form) { case Formulation::finite_strain: { F.get_map() = Matrices::I2(); break; } case Formulation::small_strain: { F.get_map() = Matrices::I2().Zero(); for (const auto & delF: delFs) { if (!check_symmetry(delF)) { throw SolverError("all Δε must be symmetric!"); } } break; } default: throw SolverError("Unknown formulation"); break; } // initialise return value std::vector ret_val{}; // initialise materials constexpr bool need_tangent{true}; cell.initialise_materials(need_tangent); Grad_t previous_grad{Grad_t::Zero()}; for (const auto & delF: delFs) { //incremental loop std::string message{"Has not converged"}; Real incrNorm{2*newton_tol}, gradNorm{1}; Real stressNorm{2*equil_tol}; bool has_converged{false}; auto convergence_test = [&incrNorm, &gradNorm, &newton_tol, &stressNorm, &equil_tol, &message, &has_converged] () { bool incr_test = incrNorm/gradNorm <= newton_tol; bool stress_test = stressNorm < equil_tol; if (incr_test) { message = "Residual tolerance reached"; } else if (stress_test) { message = "Reached stress divergence tolerance"; } has_converged = incr_test || stress_test; return has_converged; }; Uint newt_iter{0}; for (; (newt_iter < solver.get_maxiter()) && (!has_converged || (newt_iter==1)); ++newt_iter) { // obtain material response auto res_tup{cell.evaluate_stress_tangent(F)}; auto & P{std::get<0>(res_tup)}; auto & K{std::get<1>(res_tup)}; auto tangent_effect = [&cell, &K] (const Field_t & dF, Field_t & dP) { cell.directional_stiffness(K, dF, dP); }; if (newt_iter == 0) { DeltaF.get_map() = -(delF-previous_grad); // neg sign because rhs tangent_effect(DeltaF, rhs); stressNorm = std::sqrt(comm.sum(rhs.eigen().matrix().squaredNorm())); if (convergence_test()) { break; } incrF.eigenvec() = solver.solve(rhs.eigenvec(), incrF.eigenvec()); F.eigen() -= DeltaF.eigen(); } else { rhs.eigen() = -P.eigen(); cell.project(rhs); stressNorm = std::sqrt(comm.sum(rhs.eigen().matrix().squaredNorm())); if (convergence_test()) { break; } incrF.eigen() = 0; incrF.eigenvec() = solver.solve(rhs.eigenvec(), incrF.eigenvec()); } F.eigen() += incrF.eigen(); incrNorm = std::sqrt(comm.sum(incrF.eigen().matrix().squaredNorm())); gradNorm = std::sqrt(comm.sum(F.eigen().matrix().squaredNorm())); if (verbose>0) { std::cout << "at Newton step " << std::setw(count_width) << newt_iter << ", |δ" << strain_symb << "|/|Δ" << strain_symb << "| = " << std::setw(17) << incrNorm/gradNorm << ", tol = " << newton_tol << std::endl; if (verbose-1>1) { std::cout << "<" << strain_symb << "> =" << std::endl << F.get_map().mean() << std::endl; } } convergence_test(); } // update previous gradient previous_grad = delF; ret_val.push_back(OptimizeResult{F.eigen(), cell.get_stress().eigen(), has_converged, Int(has_converged), message, newt_iter, solver.get_counter()}); // store history variables here cell.save_history_variables(); } return ret_val; } //! instantiation for two-dimensional cells template std::vector de_geus (CellBase & cell, const GradIncrements& delF0, SolverBase & solver, Real newton_tol, Real equil_tol, Dim_t verbose); // template typename CellBase::StrainField_t & // de_geus (CellBase & cell, const GradIncrements& delF0, // const Real cg_tol, const Real newton_tol, Uint maxiter, // Dim_t verbose); //! instantiation for three-dimensional cells template std::vector de_geus (CellBase & cell, const GradIncrements& delF0, SolverBase & solver, Real newton_tol, Real equil_tol, Dim_t verbose); /* ---------------------------------------------------------------------- */ template std::vector newton_cg (CellBase & cell, const GradIncrements & delFs, SolverBase & solver, Real newton_tol, Real equil_tol, Dim_t verbose) { using Field_t = typename MaterialBase::StrainField_t; + const Communicator & comm = cell.get_communicator(); auto solver_fields{std::make_unique>()}; solver_fields->initialise(cell.get_resolutions(), cell.get_locations()); // Corresponds to symbol δF or δε auto & incrF{make_field("δF", *solver_fields)}; // field to store the rhs for cg calculations auto & rhs{make_field("rhs", *solver_fields)}; solver.initialise(); if (solver.get_maxiter() == 0) { solver.set_maxiter(cell.size()*DimM*DimM*10); } size_t count_width{}; const auto form{cell.get_formulation()}; std::string strain_symb{}; if (verbose > 0) { //setup of algorithm 5.2 in Nocedal, Numerical Optimization (p. 111) std::cout << "Newton-" << solver.name() << " for "; switch (form) { case Formulation::small_strain: { strain_symb = "ε"; std::cout << "small"; break; } case Formulation::finite_strain: { strain_symb = "Fy"; std::cout << "finite"; break; } default: throw SolverError("unknown formulation"); break; } std::cout << " strain with" << std::endl << "newton_tol = " << newton_tol << ", cg_tol = " << solver.get_tol() << " maxiter = " << solver.get_maxiter() << " and Δ" << strain_symb << " =" <(tup)}; auto && grad{std::get<1>(tup)}; std::cout << "Step " << counter + 1 << ":" << std::endl << grad << std::endl; } count_width = size_t(std::log10(solver.get_maxiter()))+1; } // initialise F = I or ε = 0 auto & F{cell.get_strain()}; switch (cell.get_formulation()) { case Formulation::finite_strain: { F.get_map() = Matrices::I2(); break; } case Formulation::small_strain: { F.get_map() = Matrices::I2().Zero(); for (const auto & delF: delFs) { if (!check_symmetry(delF)) { throw SolverError("all Δε must be symmetric!"); } } break; } default: throw SolverError("Unknown formulation"); break; } // initialise return value std::vector ret_val{}; // initialise materials constexpr bool need_tangent{true}; cell.initialise_materials(need_tangent); Grad_t previous_grad{Grad_t::Zero()}; for (const auto & delF: delFs) { //incremental loop // apply macroscopic strain increment for (auto && grad: F.get_map()) { grad += delF - previous_grad; } std::string message{"Has not converged"}; Real incrNorm{2*newton_tol}, gradNorm{1}; Real stressNorm{2*equil_tol}; bool has_converged{false}; auto convergence_test = [&incrNorm, &gradNorm, &newton_tol, &stressNorm, &equil_tol, &message, &has_converged] () { bool incr_test = incrNorm/gradNorm <= newton_tol; bool stress_test = stressNorm < equil_tol; if (incr_test) { message = "Residual tolerance reached"; } else if (stress_test) { message = "Reached stress divergence tolerance"; } has_converged = incr_test || stress_test; return has_converged; }; Uint newt_iter{0}; for (; newt_iter < solver.get_maxiter() && !has_converged; ++newt_iter) { // obtain material response auto res_tup{cell.evaluate_stress_tangent(F)}; auto & P{std::get<0>(res_tup)}; rhs.eigen() = -P.eigen(); cell.project(rhs); - stressNorm = rhs.eigen().matrix().norm(); + stressNorm = std::sqrt(comm.sum(rhs.eigen().matrix().squaredNorm())); if (convergence_test()) { break; } incrF.eigen() = 0; incrF.eigenvec() = solver.solve(rhs.eigenvec(), incrF.eigenvec()); F.eigen() += incrF.eigen(); - incrNorm = incrF.eigen().matrix().norm(); - gradNorm = F.eigen().matrix().norm(); + incrNorm = std::sqrt(comm.sum(incrF.eigen().matrix().squaredNorm())); + gradNorm = std::sqrt(comm.sum(F.eigen().matrix().squaredNorm())); if (verbose > 0) { std::cout << "at Newton step " << std::setw(count_width) << newt_iter << ", |δ" << strain_symb << "|/|Δ" << strain_symb << "| = " << std::setw(17) << incrNorm/gradNorm << ", tol = " << newton_tol << std::endl; if (verbose-1>1) { std::cout << "<" << strain_symb << "> =" << std::endl << F.get_map().mean() << std::endl; } } convergence_test(); } // update previous gradient previous_grad = delF; ret_val.push_back(OptimizeResult{F.eigen(), cell.get_stress().eigen(), convergence_test(), Int(convergence_test()), message, newt_iter, solver.get_counter()}); //store history variables for next load increment cell.save_history_variables(); } return ret_val; } //! instantiation for two-dimensional cells template std::vector newton_cg (CellBase & cell, const GradIncrements& delF0, SolverBase & solver, Real newton_tol, Real equil_tol, Dim_t verbose); // template typename CellBase::StrainField_t & // newton_cg (CellBase & cell, const GradIncrements& delF0, // const Real cg_tol, const Real newton_tol, Uint maxiter, // Dim_t verbose); //! instantiation for three-dimensional cells template std::vector newton_cg (CellBase & cell, const GradIncrements& delF0, SolverBase & solver, Real newton_tol, Real equil_tol, Dim_t verbose); /* ---------------------------------------------------------------------- */ bool check_symmetry(const Eigen::Ref& eps, Real rel_tol){ return (rel_tol >= (eps-eps.transpose()).matrix().norm()/eps.matrix().norm() || rel_tol >= eps.matrix().norm()); } } // muSpectre