mirror of
https://github.com/paboyle/Grid.git
synced 2024-11-15 02:05:37 +00:00
cee6a37639
As the integrator logger is active by default the cmdline option to activate had no effect. Changed option to *de*activate on request ("NoIntegrator")
Cleaned up generating rational approxs in the general RHMC code
As the tolerance of the rational approx is not related to the CG tolerance, regenerating approxs for MD and MC if they differ only by the CG tolerance is not necessary; this has been fixed
In DWF+I Gparity evolution code, added cmdline options to check the rational approximations and compute the lowest/highest eigenvalues of M^dagM for RHMC tuning
In the above, changed the integrator layout to a much simpler one that completes much faster; may need additional tuning
456 lines
18 KiB
C++
456 lines
18 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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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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}
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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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for(int i=1;i<argc;i++){
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if(std::string(argv[i]) == "--param_file"){
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assert(i!=argc-1);
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param_file = argv[i+1];
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break;
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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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//::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::
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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 = 5; //5 steps of 0.2 for GP* ensembles
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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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////////////////////////////////////
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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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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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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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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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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, MixedPrecRHMC>(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, MixedPrecRHMC>(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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