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384 lines
14 KiB
C++
384 lines
14 KiB
C++
/*************************************************************************************
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Script for studying the Wilson eigenvectors resulting from the Krylov-Schur process.
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Usage :
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$ ./Example_spec_kryschur <Nm> <Nk> <maxiter> <Nstop> <inFile> <outDir> <?rf>
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Nm = Maximum size of approximation subspace.
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Nk = Size of truncation subspace
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maxiter = Maximum number of iterations.
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Nstop = Stop when Nstop eigenvalues have converged.
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inFile = Gauge configuration to read in.
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outDir = Directory to write output to.
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rf = (Optional) RitzFilter to sort with. Takes in any string in
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{EvalNormSmall, EvalNormLarge, EvalReSmall, EvalReLarge, EvalImSmall, EvalImLarge}
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Output:
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${outDir}/evals.txt = Contains all eigenvalues. Each line is formatted as `$idx $eval $ritz`, where:
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- $idx is the index of the eigenvalue.
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- $eval is the eigenvalue, formated as "(re,im)".
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- $ritz is the Ritz estimate of the eigenvalue (deviation from being a true eigenvalue)
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${outDir}/evec${idx} = Eigenvector $idx written out in SCIDAC format (if LIME is enabled).
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Grid physics library, www.github.com/paboyle/Grid
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Source file: ./tests/Test_padded_cell.cc
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Copyright (C) 2023
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Author: Peter Boyle <paboyle@ph.ed.ac.uk>
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Author: Patrick Oare <poare@bnl.edu>
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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 directory
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*************************************************************************************/
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/* END LEGAL */
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#include <cstdlib>
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#include <Grid/Grid.h>
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#include <Grid/lattice/PaddedCell.h>
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#include <Grid/stencil/GeneralLocalStencil.h>
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#include <Grid/algorithms/iterative/PrecGeneralisedConjugateResidual.h>
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#include <Grid/algorithms/iterative/PrecGeneralisedConjugateResidualNonHermitian.h>
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#include <Grid/algorithms/iterative/BiCGSTAB.h>
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#include <Grid/parallelIO/IldgIOtypes.h>
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#include <Grid/parallelIO/IldgIO.h>
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using namespace std;
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using namespace Grid;
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template <class T> void writeFile(T& in, std::string const fname){
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#ifdef HAVE_LIME
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// Ref: https://github.com/paboyle/Grid/blob/feature/scidac-wp1/tests/debug/Test_general_coarse_hdcg_phys48.cc#L111
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std::cout << Grid::GridLogMessage << "Writes to: " << fname << std::endl;
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Grid::emptyUserRecord record;
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Grid::ScidacWriter WR(in.Grid()->IsBoss());
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WR.open(fname);
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WR.writeScidacFieldRecord(in,record,0); // Lexico
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WR.close();
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#endif
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}
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template <class T> void readFile(T& out, std::string const fname){
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#ifdef HAVE_LIME
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// Ref: https://github.com/paboyle/Grid/blob/feature/scidac-wp1/tests/debug/Test_general_coarse_hdcg_phys48.cc#L111
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std::cout << Grid::GridLogMessage << "Reads at: " << fname << std::endl;
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Grid::emptyUserRecord record;
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// Grid::ScidacReader SR(out.Grid()->IsBoss());
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Grid::ScidacReader SR;
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SR.open(fname);
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SR.readScidacFieldRecord(out, record);
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SR.close();
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#endif
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}
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/**
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* Writes the eigensystem of a Krylov Schur object to a directory.
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*
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* Parameters
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* ----------
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* std::string path
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* Directory to write to.
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*/
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template <class Field>
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void writeEigensystem(KrylovSchur<Field> KS, std::string outDir) {
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int Nk = KS.getNk();
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std::cout << GridLogMessage << "Writing output to directory: " << outDir << std::endl;
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// Write evals
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std::string evalPath = outDir + "/evals.txt";
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std::ofstream fEval;
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fEval.open(evalPath);
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Eigen::VectorXcd evals = KS.getEvals();
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std::vector<RealD> ritz = KS.getRitzEstimates();
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for (int i = 0; i < Nk; i++) {
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// write eigenvalues and Ritz estimates
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fEval << i << " " << evals(i) << " " << ritz[i];
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if (i < Nk - 1) { fEval << "\n"; }
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}
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fEval.close();
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// Write evecs
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int Nevecs = Nk; // don't write all of them
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std::vector<Field> evecs = KS.getEvecs();
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for (int i = 0; i < Nevecs; i++) {
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std::string fName = outDir + "/evec" + std::to_string(i);
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writeFile(evecs[i], fName); // using method from Grid/HMC/ComputeWilsonFlow.cc
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}
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}
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// Hermitize a DWF operator by squaring it
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template<class Matrix,class Field>
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class SquaredLinearOperator : public LinearOperatorBase<Field> {
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public:
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Matrix &_Mat;
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public:
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SquaredLinearOperator(Matrix &Mat): _Mat(Mat) {};
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void OpDiag (const Field &in, Field &out) { assert(0); }
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void OpDir (const Field &in, Field &out,int dir,int disp) { assert(0); }
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void OpDirAll (const Field &in, std::vector<Field> &out){ assert(0); };
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void Op (const Field &in, Field &out){
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// std::cout << "Op is overloaded as HermOp" << std::endl;
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HermOp(in, out);
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}
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void AdjOp (const Field &in, Field &out){
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HermOp(in, out);
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}
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void _Op (const Field &in, Field &out){
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// std::cout << "Op: M "<<std::endl;
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_Mat.M(in, out);
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}
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void _AdjOp (const Field &in, Field &out){
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// std::cout << "AdjOp: Mdag "<<std::endl;
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_Mat.Mdag(in, out);
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}
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void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){ assert(0); }
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void HermOp(const Field &in, Field &out){
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// std::cout << "HermOp: Mdag M Mdag M"<<std::endl;
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Field tmp(in.Grid());
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_Op(in,tmp);
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_AdjOp(tmp,out);
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}
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};
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template<class Matrix,class Field>
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class PVdagMLinearOperator : public LinearOperatorBase<Field> {
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Matrix &_Mat;
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Matrix &_PV;
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public:
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PVdagMLinearOperator(Matrix &Mat,Matrix &PV): _Mat(Mat),_PV(PV){};
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void OpDiag (const Field &in, Field &out) { assert(0); }
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void OpDir (const Field &in, Field &out,int dir,int disp) { assert(0); }
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void OpDirAll (const Field &in, std::vector<Field> &out){ assert(0); };
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void Op (const Field &in, Field &out){
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std::cout << "Op: PVdag M "<<std::endl;
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Field tmp(in.Grid());
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_Mat.M(in,tmp);
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_PV.Mdag(tmp,out);
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}
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void AdjOp (const Field &in, Field &out){
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std::cout << "AdjOp: Mdag PV "<<std::endl;
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Field tmp(in.Grid());
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_PV.M(in,tmp);
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_Mat.Mdag(tmp,out);
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}
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void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){ assert(0); }
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void HermOp(const Field &in, Field &out){
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std::cout << "HermOp: Mdag PV PVdag M"<<std::endl;
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Field tmp(in.Grid());
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// _Mat.M(in,tmp);
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// _PV.Mdag(tmp,out);
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// _PV.M(out,tmp);
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// _Mat.Mdag(tmp,out);
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Op(in,tmp);
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AdjOp(tmp,out);
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// std::cout << "HermOp done "<<norm2(out)<<std::endl;
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}
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};
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template<class Matrix,class Field>
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class ShiftedPVdagMLinearOperator : public LinearOperatorBase<Field> {
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Matrix &_Mat;
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Matrix &_PV;
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RealD shift;
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public:
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ShiftedPVdagMLinearOperator(RealD _shift,Matrix &Mat,Matrix &PV): shift(_shift),_Mat(Mat),_PV(PV){};
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void OpDiag (const Field &in, Field &out) { assert(0); }
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void OpDir (const Field &in, Field &out,int dir,int disp) { assert(0); }
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void OpDirAll (const Field &in, std::vector<Field> &out){ assert(0); };
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void Op (const Field &in, Field &out){
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std::cout << "Op: PVdag M "<<std::endl;
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Field tmp(in.Grid());
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_Mat.M(in,tmp);
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_PV.Mdag(tmp,out);
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out = out + shift * in;
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}
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void AdjOp (const Field &in, Field &out){
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std::cout << "AdjOp: Mdag PV "<<std::endl;
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Field tmp(in.Grid());
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_PV.M(tmp,out);
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_Mat.Mdag(in,tmp);
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out = out + shift * in;
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}
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void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){ assert(0); }
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void HermOp(const Field &in, Field &out){
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std::cout << "HermOp: Mdag PV PVdag M"<<std::endl;
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Field tmp(in.Grid());
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Op(in,tmp);
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AdjOp(tmp,out);
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}
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};
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template<class Matrix, class Field>
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class ShiftedComplexPVdagMLinearOperator : public LinearOperatorBase<Field> {
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Matrix &_Mat;
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Matrix &_PV;
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ComplexD shift;
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public:
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ShiftedComplexPVdagMLinearOperator(ComplexD _shift,Matrix &Mat,Matrix &PV): shift(_shift),_Mat(Mat),_PV(PV){};
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void OpDiag (const Field &in, Field &out) { assert(0); }
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void OpDir (const Field &in, Field &out,int dir,int disp) { assert(0); }
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void OpDirAll (const Field &in, std::vector<Field> &out){ assert(0); };
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void Op (const Field &in, Field &out){
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std::cout << "Op: PVdag M "<<std::endl;
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Field tmp(in.Grid());
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_Mat.M(in,tmp);
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_PV.Mdag(tmp,out);
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out = out + shift * in;
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}
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void AdjOp (const Field &in, Field &out){
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std::cout << "AdjOp: Mdag PV "<<std::endl;
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Field tmp(in.Grid());
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_PV.M(tmp,out);
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_Mat.Mdag(in,tmp);
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out = out + shift * in;
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}
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void HermOpAndNorm(const Field &in, Field &out,RealD &n1,RealD &n2){ assert(0); }
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void HermOp(const Field &in, Field &out){
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std::cout << "HermOp: Mdag PV PVdag M"<<std::endl;
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Field tmp(in.Grid());
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Op(in,tmp);
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AdjOp(tmp,out);
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}
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void resetShift(ComplexD newShift) {
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shift = newShift;
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}
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};
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int main (int argc, char ** argv)
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{
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Grid_init(&argc,&argv);
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// Usage : $ ./Example_wilson_evecs ${inFile}
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std::string file = argv[1];
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const int Ls=16;
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// GridCartesian * UGrid = SpaceTimeGrid::makeFourDimGrid(GridDefaultLatt(), GridDefaultSimd(Nd,vComplex::Nsimd()),GridDefaultMpi());
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//std::vector<int> lat_size {16, 16, 16, 32};
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std::vector<int> lat_size {32, 32, 32, 32};
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std::cout << "Lattice size: " << lat_size << std::endl;
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GridCartesian * UGrid = SpaceTimeGrid::makeFourDimGrid(lat_size,
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GridDefaultSimd(Nd,vComplex::Nsimd()),
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GridDefaultMpi());
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GridRedBlackCartesian * UrbGrid = SpaceTimeGrid::makeFourDimRedBlackGrid(UGrid);
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// GridCartesian * FGrid = SpaceTimeGrid::makeFiveDimGrid(Ls,UGrid);
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// GridRedBlackCartesian * FrbGrid = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,UGrid);
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GridCartesian * FGrid = UGrid;
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GridRedBlackCartesian * FrbGrid = UrbGrid;
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std::vector<int> seeds4({1,2,3,4});
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GridParallelRNG RNG4(UGrid);
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RNG4.SeedFixedIntegers(seeds4);
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LatticeFermion src(FGrid); random(RNG4, src);
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LatticeGaugeField Umu(UGrid);
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FieldMetaData header;
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NerscIO::readConfiguration(Umu, header, file);
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std::cout << GridLogMessage << "Loaded configuration" << std::endl;
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// RealD mass = 0.01;
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RealD M5 = 1.8;
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// Wilson mass
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RealD mass = -1.6;
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std::cout << GridLogMessage << "masses specified" << std::endl;
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std::vector<Complex> boundary = {1,1,1,-1};
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WilsonFermionD::ImplParams Params(boundary);
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// DomainWallFermionD Ddwf(Umu, *FGrid, *FrbGrid, *UGrid, *UrbGrid, mass, M5);
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// NonHermitianLinearOperator<DomainWallFermionD, LatticeFermionD> DLinOp (Ddwf);
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// WilsonFermionD Dwilson(Umu, *FGrid, *FrbGrid, mass);
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WilsonFermionD Dwilson(Umu, *UGrid, *UrbGrid, mass, Params);
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NonHermitianLinearOperator<WilsonFermionD, LatticeFermionD> DLinOp (Dwilson);
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std::cout << GridLogMessage << "Dirac operator defined" << std::endl;
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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/";
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std::cout << GridLogMessage << "Loading eigenvalues" << std::endl;
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std::ifstream evalFile(eigenPath + "evals.txt");
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std::string str;
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std::vector<ComplexD> evals;
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while (std::getline(evalFile, str)) {
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std::cout << GridLogMessage << "Reading line: " << str << std::endl;
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int i1 = str.find("(") + 1;
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int i2 = str.find(",") + 1;
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int i3 = str.find(")");
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std::cout << "i1,i2,i3 = " << i1 << "," << i2 << "," << i3 << std::endl;
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std::string reStr = str.substr(i1, i2 - i1);
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std::string imStr = str.substr(i2, i3 - i2);
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std::cout << GridLogMessage << "Parsed re = " << reStr << " and im = " << imStr << std::endl;
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// ComplexD z (std::stof(reStr), std::stof(imStr));
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ComplexD z (std::stod(reStr), std::stod(imStr));
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evals.push_back(z);
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}
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std::cout << GridLogMessage << "Eigenvalues: " << evals << std::endl;
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int Nevecs = 24;
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std::vector<LatticeFermion> evecs;
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LatticeFermion evec (FGrid);
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for (int i = 0; i < Nevecs; i++) {
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std::string evecPath = eigenPath + "evec" + std::to_string(i);
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readFile(evec, evecPath);
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evecs.push_back(evec);
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}
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std::cout << GridLogMessage << "Evecs loaded" << std::endl;
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// Compute < evec | D - \lambda | evec >
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std::cout << GridLogMessage << "Testing eigenvectors" << std::endl;
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LatticeFermion Devec (FGrid);
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ComplexD ritz;
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for (int i = 0; i < Nevecs; i++) {
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Devec = Zero();
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DLinOp.Op(evecs[i], Devec);
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ritz = std::sqrt(norm2(Devec - evals[i] * evecs[i]));
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std::cout << GridLogMessage << "i = " << i << ", || (D - lambda) |vi> || = " << ritz << std::endl;
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}
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// Eigen::MatrixXcd Dw_evecs;
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// Dw_evecs = Eigen::MatrixXcd::Zero(Nevecs, Nevecs);
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// for (int i = 0; i < Nevecs; i++) {
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// Linop.Op(evecs[i], Devec);
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// for (int j = 0; j < Nevecs; j++) {
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// }
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// }
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std::cout<<GridLogMessage<<std::endl;
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std::cout<<GridLogMessage<<"*******************************************"<<std::endl;
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std::cout<<GridLogMessage<<std::endl;
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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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