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474 lines
19 KiB
C++
474 lines
19 KiB
C++
/*************************************************************************************
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Grid physics library, www.github.com/paboyle/Grid
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Source file: ./HMC/DWF2p1fIwasakiGparity.cc
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Copyright (C) 2015-2016
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Author: Christopher Kelly <ckelly@bnl.gov>
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Author: Peter Boyle <pabobyle@ph.ed.ac.uk>
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This program is free software; you can redistribute it and/or modify
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it under the terms of the GNU General Public License as published by
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the Free Software Foundation; either version 2 of the License, or
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(at your option) any later version.
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This program is distributed in the hope that it will be useful,
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but WITHOUT ANY WARRANTY; without even the implied warranty of
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MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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GNU General Public License for more details.
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You should have received a copy of the GNU General Public License along
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with this program; if not, write to the Free Software Foundation, Inc.,
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51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
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See the full license in the file "LICENSE" in the top level distribution
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directory
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*************************************************************************************/
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/* END LEGAL */
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#include <Grid/Grid.h>
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using namespace Grid;
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//2+1f DWF+I ensemble with G-parity BCs
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//designed to reproduce ensembles in https://arxiv.org/pdf/1908.08640.pdf
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struct RatQuoParameters: Serializable {
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GRID_SERIALIZABLE_CLASS_MEMBERS(RatQuoParameters,
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double, bnd_lo,
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double, bnd_hi,
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Integer, action_degree,
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double, action_tolerance,
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Integer, md_degree,
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double, md_tolerance,
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Integer, reliable_update_freq,
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Integer, bnd_check_freq);
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RatQuoParameters() {
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bnd_lo = 1e-2;
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bnd_hi = 30;
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action_degree = 10;
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action_tolerance = 1e-10;
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md_degree = 10;
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md_tolerance = 1e-8;
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bnd_check_freq = 20;
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reliable_update_freq = 50;
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}
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void Export(RationalActionParams &into) const{
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into.lo = bnd_lo;
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into.hi = bnd_hi;
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into.action_degree = action_degree;
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into.action_tolerance = action_tolerance;
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into.md_degree = md_degree;
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into.md_tolerance = md_tolerance;
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into.BoundsCheckFreq = bnd_check_freq;
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}
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};
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struct EvolParameters: Serializable {
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GRID_SERIALIZABLE_CLASS_MEMBERS(EvolParameters,
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Integer, StartTrajectory,
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Integer, Trajectories,
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Integer, SaveInterval,
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Integer, Steps,
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bool, MetropolisTest,
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std::string, StartingType,
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std::vector<Integer>, GparityDirs,
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RatQuoParameters, rat_quo_l,
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RatQuoParameters, rat_quo_s);
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EvolParameters() {
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//For initial thermalization; afterwards user should switch Metropolis on and use StartingType=CheckpointStart
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MetropolisTest = false;
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StartTrajectory = 0;
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Trajectories = 50;
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SaveInterval = 5;
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StartingType = "ColdStart";
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GparityDirs.resize(3, 1); //1 for G-parity, 0 for periodic
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Steps = 5;
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}
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};
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bool fileExists(const std::string &fn){
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std::ifstream f(fn);
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return f.good();
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}
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struct LanczosParameters: Serializable {
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GRID_SERIALIZABLE_CLASS_MEMBERS(LanczosParameters,
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double, alpha,
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double, beta,
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double, mu,
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int, ord,
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int, n_stop,
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int, n_want,
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int, n_use,
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double, tolerance);
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LanczosParameters() {
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alpha = 35;
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beta = 5;
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mu = 0;
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ord = 100;
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n_stop = 10;
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n_want = 10;
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n_use = 15;
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tolerance = 1e-6;
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}
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};
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template<typename FermionActionD, typename FermionFieldD>
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void computeEigenvalues(std::string param_file,
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GridCartesian* Grid, GridRedBlackCartesian* rbGrid, const LatticeGaugeFieldD &latt, //expect lattice to have been initialized to something
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FermionActionD &action, GridParallelRNG &rng){
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LanczosParameters params;
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if(fileExists(param_file)){
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std::cout << GridLogMessage << " Reading " << param_file << std::endl;
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Grid::XmlReader rd(param_file);
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read(rd, "LanczosParameters", params);
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}else if(!GlobalSharedMemory::WorldRank){
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std::cout << GridLogMessage << " File " << param_file << " does not exist" << std::endl;
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std::cout << GridLogMessage << " Writing xml template to " << param_file << ".templ" << std::endl;
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Grid::XmlWriter wr(param_file + ".templ");
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write(wr, "LanczosParameters", params);
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}
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FermionFieldD gauss_o(rbGrid);
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FermionFieldD gauss(Grid);
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gaussian(rng, gauss);
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pickCheckerboard(Odd, gauss_o, gauss);
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action.ImportGauge(latt);
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SchurDiagMooeeOperator<FermionActionD, FermionFieldD> hermop(action);
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PlainHermOp<FermionFieldD> hermop_wrap(hermop);
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//ChebyshevLanczos<FermionFieldD> Cheb(params.alpha, params.beta, params.mu, params.ord);
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assert(params.mu == 0.0);
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Chebyshev<FermionFieldD> Cheb(params.beta*params.beta, params.alpha*params.alpha, params.ord+1);
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FunctionHermOp<FermionFieldD> Cheb_wrap(Cheb, hermop);
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std::cout << "IRL: alpha=" << params.alpha << " beta=" << params.beta << " mu=" << params.mu << " ord=" << params.ord << std::endl;
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ImplicitlyRestartedLanczos<FermionFieldD> IRL(Cheb_wrap, hermop_wrap, params.n_stop, params.n_want, params.n_use, params.tolerance, 10000);
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std::vector<RealD> eval(params.n_use);
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std::vector<FermionFieldD> evec(params.n_use, rbGrid);
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int Nconv;
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IRL.calc(eval, evec, gauss_o, Nconv);
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std::cout << "Eigenvalues:" << std::endl;
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for(int i=0;i<params.n_want;i++){
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std::cout << i << " " << eval[i] << std::endl;
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}
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}
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//Check the quality of the RHMC approx
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template<typename FermionActionD, typename FermionFieldD, typename RHMCtype>
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void checkRHMC(GridCartesian* Grid, GridRedBlackCartesian* rbGrid, const LatticeGaugeFieldD &latt, //expect lattice to have been initialized to something
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FermionActionD &numOp, FermionActionD &denOp, RHMCtype &rhmc, GridParallelRNG &rng,
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int inv_pow, const std::string &quark_descr){
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FermionFieldD gauss_o(rbGrid);
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FermionFieldD gauss(Grid);
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gaussian(rng, gauss);
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pickCheckerboard(Odd, gauss_o, gauss);
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numOp.ImportGauge(latt);
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denOp.ImportGauge(latt);
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typedef typename FermionActionD::Impl_t FermionImplPolicyD;
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SchurDifferentiableOperator<FermionImplPolicyD> MdagM(numOp);
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SchurDifferentiableOperator<FermionImplPolicyD> VdagV(denOp);
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std::cout << "Starting: Checking quality of RHMC action approx for " << quark_descr << " quark numerator and power -1/" << inv_pow << std::endl;
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InversePowerBoundsCheck(inv_pow, 10000, 1e16, MdagM,gauss_o, rhmc.ApproxNegPowerAction); //use large tolerance to prevent exit on fail; we are trying to tune here!
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std::cout << "Finished: Checking quality of RHMC action approx for " << quark_descr << " quark numerator and power -1/" << inv_pow << std::endl;
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std::cout << "Starting: Checking quality of RHMC action approx for " << quark_descr << " quark numerator and power -1/" << 2*inv_pow << std::endl;
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InversePowerBoundsCheck(2*inv_pow, 10000, 1e16, MdagM,gauss_o, rhmc.ApproxNegHalfPowerAction);
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std::cout << "Finished: Checking quality of RHMC action approx for " << quark_descr << " quark numerator and power -1/" << 2*inv_pow << std::endl;
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std::cout << "Starting: Checking quality of RHMC action approx for " << quark_descr << " quark denominator and power -1/" << inv_pow << std::endl;
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InversePowerBoundsCheck(inv_pow, 10000, 1e16, VdagV,gauss_o, rhmc.ApproxNegPowerAction);
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std::cout << "Finished: Checking quality of RHMC action approx for " << quark_descr << " quark denominator and power -1/" << inv_pow << std::endl;
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std::cout << "Starting: Checking quality of RHMC action approx for " << quark_descr << " quark denominator and power -1/" << 2*inv_pow << std::endl;
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InversePowerBoundsCheck(2*inv_pow, 10000, 1e16, VdagV,gauss_o, rhmc.ApproxNegHalfPowerAction);
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std::cout << "Finished: Checking quality of RHMC action approx for " << quark_descr << " quark denominator and power -1/" << 2*inv_pow << std::endl;
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std::cout << "-------------------------------------------------------------------------------" << std::endl;
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std::cout << "Starting: Checking quality of RHMC MD approx for " << quark_descr << " quark numerator and power -1/" << inv_pow << std::endl;
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InversePowerBoundsCheck(inv_pow, 10000, 1e16, MdagM,gauss_o, rhmc.ApproxNegPowerMD);
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std::cout << "Finished: Checking quality of RHMC MD approx for " << quark_descr << " quark numerator and power -1/" << inv_pow << std::endl;
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std::cout << "Starting: Checking quality of RHMC MD approx for " << quark_descr << " quark numerator and power -1/" << 2*inv_pow << std::endl;
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InversePowerBoundsCheck(2*inv_pow, 10000, 1e16, MdagM,gauss_o, rhmc.ApproxNegHalfPowerMD);
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std::cout << "Finished: Checking quality of RHMC MD approx for " << quark_descr << " quark numerator and power -1/" << 2*inv_pow << std::endl;
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std::cout << "Starting: Checking quality of RHMC MD approx for " << quark_descr << " quark denominator and power -1/" << inv_pow << std::endl;
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InversePowerBoundsCheck(inv_pow, 10000, 1e16, VdagV,gauss_o, rhmc.ApproxNegPowerMD);
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std::cout << "Finished: Checking quality of RHMC MD approx for " << quark_descr << " quark denominator and power -1/" << inv_pow << std::endl;
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std::cout << "Starting: Checking quality of RHMC MD approx for " << quark_descr << " quark denominator and power -1/" << 2*inv_pow << std::endl;
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InversePowerBoundsCheck(2*inv_pow, 10000, 1e16, VdagV,gauss_o, rhmc.ApproxNegHalfPowerMD);
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std::cout << "Finished: Checking quality of RHMC MD approx for " << quark_descr << " quark denominator and power -1/" << 2*inv_pow << std::endl;
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}
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int main(int argc, char **argv) {
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Grid_init(&argc, &argv);
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int threads = GridThread::GetThreads();
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// here make a routine to print all the relevant information on the run
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std::cout << GridLogMessage << "Grid is setup to use " << threads << " threads" << std::endl;
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std::string param_file = "params.xml";
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bool file_load_check = false;
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for(int i=1;i<argc;i++){
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std::string sarg(argv[i]);
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if(sarg == "--param_file"){
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assert(i!=argc-1);
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param_file = argv[i+1];
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}else if(sarg == "--read_check"){ //check the fields load correctly and pass checksum/plaquette repro
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file_load_check = true;
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}
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}
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//Read the user parameters
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EvolParameters user_params;
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if(fileExists(param_file)){
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std::cout << GridLogMessage << " Reading " << param_file << std::endl;
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Grid::XmlReader rd(param_file);
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read(rd, "Params", user_params);
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}else if(!GlobalSharedMemory::WorldRank){
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std::cout << GridLogMessage << " File " << param_file << " does not exist" << std::endl;
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std::cout << GridLogMessage << " Writing xml template to " << param_file << ".templ" << std::endl;
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Grid::XmlWriter wr(param_file + ".templ");
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write(wr, "Params", user_params);
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std::cout << GridLogMessage << " Done" << std::endl;
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Grid_finalize();
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return 0;
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}
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//Check the parameters
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if(user_params.GparityDirs.size() != Nd-1){
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std::cerr << "Error in input parameters: expect GparityDirs to have size = " << Nd-1 << std::endl;
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exit(1);
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}
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for(int i=0;i<Nd-1;i++)
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if(user_params.GparityDirs[i] != 0 && user_params.GparityDirs[i] != 1){
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std::cerr << "Error in input parameters: expect GparityDirs values to be 0 (periodic) or 1 (G-parity)" << std::endl;
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exit(1);
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}
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// Typedefs to simplify notation
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typedef GparityDomainWallFermionD FermionActionD;
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typedef typename FermionActionD::Impl_t FermionImplPolicyD;
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typedef typename FermionActionD::FermionField FermionFieldD;
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typedef GparityDomainWallFermionF FermionActionF;
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typedef typename FermionActionF::Impl_t FermionImplPolicyF;
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typedef typename FermionActionF::FermionField FermionFieldF;
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typedef GeneralEvenOddRatioRationalMixedPrecPseudoFermionAction<FermionImplPolicyD,FermionImplPolicyF> MixedPrecRHMC;
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typedef GeneralEvenOddRatioRationalPseudoFermionAction<FermionImplPolicyD> DoublePrecRHMC;
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//::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::
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IntegratorParameters MD;
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typedef ConjugateHMCRunnerD<MinimumNorm2> HMCWrapper; //NB: This is the "Omelyan integrator"
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typedef HMCWrapper::ImplPolicy GaugeImplPolicy;
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MD.name = std::string("MinimumNorm2");
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MD.MDsteps = user_params.Steps;
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MD.trajL = 1.0;
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HMCparameters HMCparams;
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HMCparams.StartTrajectory = user_params.StartTrajectory;
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HMCparams.Trajectories = user_params.Trajectories;
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HMCparams.NoMetropolisUntil= 0;
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HMCparams.StartingType = user_params.StartingType;
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HMCparams.MetropolisTest = user_params.MetropolisTest;
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HMCparams.MD = MD;
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HMCWrapper TheHMC(HMCparams);
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// Grid from the command line arguments --grid and --mpi
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TheHMC.Resources.AddFourDimGrid("gauge"); // use default simd lanes decomposition
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CheckpointerParameters CPparams;
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CPparams.config_prefix = "ckpoint_lat";
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CPparams.rng_prefix = "ckpoint_rng";
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CPparams.saveInterval = user_params.SaveInterval;
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CPparams.format = "IEEE64BIG";
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TheHMC.Resources.LoadNerscCheckpointer(CPparams);
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//Note that checkpointing saves the RNG state so that this initialization is required only for the very first configuration
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RNGModuleParameters RNGpar;
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RNGpar.serial_seeds = "1 2 3 4 5";
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RNGpar.parallel_seeds = "6 7 8 9 10";
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TheHMC.Resources.SetRNGSeeds(RNGpar);
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typedef PlaquetteMod<GaugeImplPolicy> PlaqObs;
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TheHMC.Resources.AddObservable<PlaqObs>();
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//////////////////////////////////////////////
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const int Ls = 16;
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Real beta = 2.13;
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Real light_mass = 0.01;
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Real strange_mass = 0.032;
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Real pv_mass = 1.0;
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RealD M5 = 1.8;
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//Setup the Grids
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auto GridPtrD = TheHMC.Resources.GetCartesian();
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auto GridRBPtrD = TheHMC.Resources.GetRBCartesian();
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auto FGridD = SpaceTimeGrid::makeFiveDimGrid(Ls,GridPtrD);
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auto FrbGridD = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,GridPtrD);
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GridCartesian* GridPtrF = SpaceTimeGrid::makeFourDimGrid(GridDefaultLatt(), GridDefaultSimd(Nd, vComplexF::Nsimd()), GridDefaultMpi());
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GridRedBlackCartesian* GridRBPtrF = SpaceTimeGrid::makeFourDimRedBlackGrid(GridPtrF);
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auto FGridF = SpaceTimeGrid::makeFiveDimGrid(Ls,GridPtrF);
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auto FrbGridF = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,GridPtrF);
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ConjugateIwasakiGaugeActionD GaugeAction(beta);
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// temporarily need a gauge field
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LatticeGaugeFieldD Ud(GridPtrD);
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LatticeGaugeFieldF Uf(GridPtrF);
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//Setup the BCs
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FermionActionD::ImplParams Params;
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for(int i=0;i<Nd-1;i++) Params.twists = user_params.GparityDirs[i]; //G-parity directions
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Params.twists[Nd-1] = 1; //APBC in time direction
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std::vector<int> dirs4(Nd);
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for(int i=0;i<Nd-1;i++) dirs4[i] = user_params.GparityDirs[i];
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dirs4[Nd-1] = 0; //periodic gauge BC in time
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GaugeImplPolicy::setDirections(dirs4); //gauge BC
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//Run optional gauge field checksum checker and exit
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if(file_load_check){
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TheHMC.initializeGaugeFieldAndRNGs(Ud);
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std::cout << GridLogMessage << " Done" << std::endl;
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Grid_finalize();
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return 0;
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}
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////////////////////////////////////
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// Collect actions
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////////////////////////////////////
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ActionLevel<HMCWrapper::Field> Level1(1); //light quark + strange quark
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ActionLevel<HMCWrapper::Field> Level2(8); //gauge (8 increments per step)
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/////////////////////////////////////////////////////////////
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// Light action
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/////////////////////////////////////////////////////////////
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FermionActionD Numerator_lD(Ud,*FGridD,*FrbGridD,*GridPtrD,*GridRBPtrD, light_mass,M5,Params);
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FermionActionD Denominator_lD(Ud,*FGridD,*FrbGridD,*GridPtrD,*GridRBPtrD, pv_mass,M5,Params);
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FermionActionF Numerator_lF(Uf,*FGridF,*FrbGridF,*GridPtrF,*GridRBPtrF, light_mass,M5,Params);
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FermionActionF Denominator_lF(Uf,*FGridF,*FrbGridF,*GridPtrF,*GridRBPtrF, pv_mass,M5,Params);
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RationalActionParams rat_act_params_l;
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rat_act_params_l.inv_pow = 2; // (M^dag M)^{1/2}
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rat_act_params_l.precision= 60;
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rat_act_params_l.MaxIter = 10000;
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user_params.rat_quo_l.Export(rat_act_params_l);
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std::cout << GridLogMessage << " Light quark bounds check every " << rat_act_params_l.BoundsCheckFreq << " trajectories (avg)" << std::endl;
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MixedPrecRHMC Quotient_l(Denominator_lD, Numerator_lD, Denominator_lF, Numerator_lF, rat_act_params_l, user_params.rat_quo_l.reliable_update_freq);
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//DoublePrecRHMC Quotient_l(Denominator_lD, Numerator_lD, rat_act_params_l);
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Level1.push_back(&Quotient_l);
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////////////////////////////////////
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// Strange action
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////////////////////////////////////
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FermionActionD Numerator_sD(Ud,*FGridD,*FrbGridD,*GridPtrD,*GridRBPtrD,strange_mass,M5,Params);
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FermionActionD Denominator_sD(Ud,*FGridD,*FrbGridD,*GridPtrD,*GridRBPtrD, pv_mass,M5,Params);
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FermionActionF Numerator_sF(Uf,*FGridF,*FrbGridF,*GridPtrF,*GridRBPtrF,strange_mass,M5,Params);
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FermionActionF Denominator_sF(Uf,*FGridF,*FrbGridF,*GridPtrF,*GridRBPtrF, pv_mass,M5,Params);
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RationalActionParams rat_act_params_s;
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rat_act_params_s.inv_pow = 4; // (M^dag M)^{1/4}
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rat_act_params_s.precision= 60;
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rat_act_params_s.MaxIter = 10000;
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user_params.rat_quo_s.Export(rat_act_params_s);
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std::cout << GridLogMessage << " Heavy quark bounds check every " << rat_act_params_l.BoundsCheckFreq << " trajectories (avg)" << std::endl;
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MixedPrecRHMC Quotient_s(Denominator_sD, Numerator_sD, Denominator_sF, Numerator_sF, rat_act_params_s, user_params.rat_quo_s.reliable_update_freq);
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//DoublePrecRHMC Quotient_s(Denominator_sD, Numerator_sD, rat_act_params_s);
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Level1.push_back(&Quotient_s);
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/////////////////////////////////////////////////////////////
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// Gauge action
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/////////////////////////////////////////////////////////////
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Level2.push_back(&GaugeAction);
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TheHMC.TheAction.push_back(Level1);
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TheHMC.TheAction.push_back(Level2);
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std::cout << GridLogMessage << " Action complete "<< std::endl;
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//Action tuning
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bool tune_rhmc_l=false, tune_rhmc_s=false, eigenrange_l=false, eigenrange_s=false;
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std::string lanc_params_l, lanc_params_s;
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for(int i=1;i<argc;i++){
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std::string sarg(argv[i]);
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if(sarg == "--tune_rhmc_l") tune_rhmc_l=true;
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else if(sarg == "--tune_rhmc_s") tune_rhmc_s=true;
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else if(sarg == "--eigenrange_l"){
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assert(i < argc-1);
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eigenrange_l=true;
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lanc_params_l = argv[i+1];
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}
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else if(sarg == "--eigenrange_s"){
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assert(i < argc-1);
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eigenrange_s=true;
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lanc_params_s = argv[i+1];
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}
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}
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if(tune_rhmc_l || tune_rhmc_s || eigenrange_l || eigenrange_s){
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TheHMC.initializeGaugeFieldAndRNGs(Ud);
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if(eigenrange_l) computeEigenvalues<FermionActionD, FermionFieldD>(lanc_params_l, FGridD, FrbGridD, Ud, Numerator_lD, TheHMC.Resources.GetParallelRNG());
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if(eigenrange_s) computeEigenvalues<FermionActionD, FermionFieldD>(lanc_params_s, FGridD, FrbGridD, Ud, Numerator_sD, TheHMC.Resources.GetParallelRNG());
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if(tune_rhmc_l) checkRHMC<FermionActionD, FermionFieldD, decltype(Quotient_l)>(FGridD, FrbGridD, Ud, Numerator_lD, Denominator_lD, Quotient_l, TheHMC.Resources.GetParallelRNG(), 2, "light");
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if(tune_rhmc_s) checkRHMC<FermionActionD, FermionFieldD, decltype(Quotient_s)>(FGridD, FrbGridD, Ud, Numerator_sD, Denominator_sD, Quotient_s, TheHMC.Resources.GetParallelRNG(), 4, "strange");
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std::cout << GridLogMessage << " Done" << std::endl;
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Grid_finalize();
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return 0;
|
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}
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|
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//Run the HMC
|
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std::cout << GridLogMessage << " Running the HMC "<< std::endl;
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TheHMC.Run();
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std::cout << GridLogMessage << " Done" << std::endl;
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Grid_finalize();
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return 0;
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} // main
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