/************************************************************************************* Script for studying the Wilson eigenvectors resulting from the Krylov-Schur process. Usage : $ ./Example_spec_kryschur Nm = Maximum size of approximation subspace. Nk = Size of truncation subspace maxiter = Maximum number of iterations. Nstop = Stop when Nstop eigenvalues have converged. inFile = Gauge configuration to read in. outDir = Directory to write output to. rf = (Optional) RitzFilter to sort with. Takes in any string in {EvalNormSmall, EvalNormLarge, EvalReSmall, EvalReLarge, EvalImSmall, EvalImLarge} Output: ${outDir}/evals.txt = Contains all eigenvalues. Each line is formatted as `$idx $eval $ritz`, where: - $idx is the index of the eigenvalue. - $eval is the eigenvalue, formated as "(re,im)". - $ritz is the Ritz estimate of the eigenvalue (deviation from being a true eigenvalue) ${outDir}/evec${idx} = Eigenvector $idx written out in SCIDAC format (if LIME is enabled). Grid physics library, www.github.com/paboyle/Grid Source file: ./tests/Test_padded_cell.cc Copyright (C) 2023 Author: Peter Boyle Author: Patrick Oare This program 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 2 of the License, or (at your option) any later version. This program 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 this program; if not, write to the Free Software Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. See the full license in the file "LICENSE" in the top level distribution directory *************************************************************************************/ /* END LEGAL */ #include #include #include #include #include #include #include #include #include using namespace std; using namespace Grid; template void writeFile(T& in, std::string const fname){ #ifdef HAVE_LIME // Ref: https://github.com/paboyle/Grid/blob/feature/scidac-wp1/tests/debug/Test_general_coarse_hdcg_phys48.cc#L111 std::cout << Grid::GridLogMessage << "Writes to: " << fname << std::endl; Grid::emptyUserRecord record; Grid::ScidacWriter WR(in.Grid()->IsBoss()); WR.open(fname); WR.writeScidacFieldRecord(in,record,0); // Lexico WR.close(); #endif } template void readFile(T& out, std::string const fname){ #ifdef HAVE_LIME // Ref: https://github.com/paboyle/Grid/blob/feature/scidac-wp1/tests/debug/Test_general_coarse_hdcg_phys48.cc#L111 std::cout << Grid::GridLogMessage << "Reads at: " << fname << std::endl; Grid::emptyUserRecord record; // Grid::ScidacReader SR(out.Grid()->IsBoss()); Grid::ScidacReader SR; SR.open(fname); SR.readScidacFieldRecord(out, record); SR.close(); #endif } /** * Writes the eigensystem of a Krylov Schur object to a directory. * * Parameters * ---------- * std::string path * Directory to write to. */ template void writeEigensystem(KrylovSchur KS, std::string outDir) { int Nk = KS.getNk(); std::cout << GridLogMessage << "Writing output to directory: " << outDir << std::endl; // Write evals std::string evalPath = outDir + "/evals.txt"; std::ofstream fEval; fEval.open(evalPath); Eigen::VectorXcd evals = KS.getEvals(); std::vector ritz = KS.getRitzEstimates(); for (int i = 0; i < Nk; i++) { // write eigenvalues and Ritz estimates fEval << i << " " << evals(i) << " " << ritz[i]; if (i < Nk - 1) { fEval << "\n"; } } fEval.close(); // Write evecs int Nevecs = Nk; // don't write all of them std::vector evecs = KS.getEvecs(); for (int i = 0; i < Nevecs; i++) { std::string fName = outDir + "/evec" + std::to_string(i); writeFile(evecs[i], fName); // using method from Grid/HMC/ComputeWilsonFlow.cc } } // Hermitize a DWF operator by squaring it template class SquaredLinearOperator : public LinearOperatorBase { public: Matrix &_Mat; public: SquaredLinearOperator(Matrix &Mat): _Mat(Mat) {}; void OpDiag (const Field &in, Field &out) { assert(0); } void OpDir (const Field &in, Field &out,int dir,int disp) { assert(0); } void OpDirAll (const Field &in, std::vector &out){ assert(0); }; void Op (const Field &in, Field &out){ // std::cout << "Op is overloaded as HermOp" << std::endl; HermOp(in, out); } void AdjOp (const Field &in, Field &out){ HermOp(in, out); } void _Op (const Field &in, Field &out){ // std::cout << "Op: M "< class PVdagMLinearOperator : public LinearOperatorBase { Matrix &_Mat; Matrix &_PV; public: PVdagMLinearOperator(Matrix &Mat,Matrix &PV): _Mat(Mat),_PV(PV){}; void OpDiag (const Field &in, Field &out) { assert(0); } void OpDir (const Field &in, Field &out,int dir,int disp) { assert(0); } void OpDirAll (const Field &in, std::vector &out){ assert(0); }; void Op (const Field &in, Field &out){ std::cout << "Op: PVdag M "< class ShiftedPVdagMLinearOperator : public LinearOperatorBase { Matrix &_Mat; Matrix &_PV; RealD shift; public: ShiftedPVdagMLinearOperator(RealD _shift,Matrix &Mat,Matrix &PV): shift(_shift),_Mat(Mat),_PV(PV){}; void OpDiag (const Field &in, Field &out) { assert(0); } void OpDir (const Field &in, Field &out,int dir,int disp) { assert(0); } void OpDirAll (const Field &in, std::vector &out){ assert(0); }; void Op (const Field &in, Field &out){ std::cout << "Op: PVdag M "< class ShiftedComplexPVdagMLinearOperator : public LinearOperatorBase { Matrix &_Mat; Matrix &_PV; ComplexD shift; public: ShiftedComplexPVdagMLinearOperator(ComplexD _shift,Matrix &Mat,Matrix &PV): shift(_shift),_Mat(Mat),_PV(PV){}; void OpDiag (const Field &in, Field &out) { assert(0); } void OpDir (const Field &in, Field &out,int dir,int disp) { assert(0); } void OpDirAll (const Field &in, std::vector &out){ assert(0); }; void Op (const Field &in, Field &out){ std::cout << "Op: PVdag M "< lat_size {16, 16, 16, 32}; std::vector lat_size {32, 32, 32, 32}; std::cout << "Lattice size: " << lat_size << std::endl; GridCartesian * UGrid = SpaceTimeGrid::makeFourDimGrid(lat_size, GridDefaultSimd(Nd,vComplex::Nsimd()), GridDefaultMpi()); GridRedBlackCartesian * UrbGrid = SpaceTimeGrid::makeFourDimRedBlackGrid(UGrid); // GridCartesian * FGrid = SpaceTimeGrid::makeFiveDimGrid(Ls,UGrid); // GridRedBlackCartesian * FrbGrid = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,UGrid); GridCartesian * FGrid = UGrid; GridRedBlackCartesian * FrbGrid = UrbGrid; std::vector seeds4({1,2,3,4}); GridParallelRNG RNG4(UGrid); RNG4.SeedFixedIntegers(seeds4); LatticeFermion src(FGrid); random(RNG4, src); LatticeGaugeField Umu(UGrid); FieldMetaData header; NerscIO::readConfiguration(Umu, header, file); std::cout << GridLogMessage << "Loaded configuration" << std::endl; // RealD mass = 0.01; RealD M5 = 1.8; // Wilson mass RealD mass = -1.6; std::cout << GridLogMessage << "masses specified" << std::endl; std::vector boundary = {1,1,1,-1}; WilsonFermionD::ImplParams Params(boundary); // DomainWallFermionD Ddwf(Umu, *FGrid, *FrbGrid, *UGrid, *UrbGrid, mass, M5); // NonHermitianLinearOperator DLinOp (Ddwf); // WilsonFermionD Dwilson(Umu, *FGrid, *FrbGrid, mass); WilsonFermionD Dwilson(Umu, *UGrid, *UrbGrid, mass, Params); NonHermitianLinearOperator DLinOp (Dwilson); std::cout << GridLogMessage << "Dirac operator defined" << std::endl; std::string eigenPath = "/home/poare/lqcd/multigrid/spectra/32cube-rho0.124-tau4/U_smr_3.000000/Nm72_Nk24_8111835.aurora-pbs-0001.hostmgmt.cm.aurora.alcf.anl.gov/"; std::cout << GridLogMessage << "Loading eigenvalues" << std::endl; std::ifstream evalFile(eigenPath + "evals.txt"); std::string str; std::vector evals; while (std::getline(evalFile, str)) { std::cout << GridLogMessage << "Reading line: " << str << std::endl; int i1 = str.find("(") + 1; int i2 = str.find(",") + 1; int i3 = str.find(")"); std::cout << "i1,i2,i3 = " << i1 << "," << i2 << "," << i3 << std::endl; std::string reStr = str.substr(i1, i2 - i1); std::string imStr = str.substr(i2, i3 - i2); std::cout << GridLogMessage << "Parsed re = " << reStr << " and im = " << imStr << std::endl; // ComplexD z (std::stof(reStr), std::stof(imStr)); ComplexD z (std::stod(reStr), std::stod(imStr)); evals.push_back(z); } std::cout << GridLogMessage << "Eigenvalues: " << evals << std::endl; int Nevecs = 24; std::vector evecs; LatticeFermion evec (FGrid); for (int i = 0; i < Nevecs; i++) { std::string evecPath = eigenPath + "evec" + std::to_string(i); readFile(evec, evecPath); evecs.push_back(evec); } std::cout << GridLogMessage << "Evecs loaded" << std::endl; // Compute < evec | D - \lambda | evec > std::cout << GridLogMessage << "Testing eigenvectors" << std::endl; LatticeFermion Devec (FGrid); ComplexD ritz; for (int i = 0; i < Nevecs; i++) { Devec = Zero(); DLinOp.Op(evecs[i], Devec); ritz = std::sqrt(norm2(Devec - evals[i] * evecs[i])); std::cout << GridLogMessage << "i = " << i << ", || (D - lambda) |vi> || = " << ritz << std::endl; } // Eigen::MatrixXcd Dw_evecs; // Dw_evecs = Eigen::MatrixXcd::Zero(Nevecs, Nevecs); // for (int i = 0; i < Nevecs; i++) { // Linop.Op(evecs[i], Devec); // for (int j = 0; j < Nevecs; j++) { // } // } std::cout<