diff --git a/.gitignore b/.gitignore index dc59879f..a2118a2d 100644 --- a/.gitignore +++ b/.gitignore @@ -88,12 +88,18 @@ Thumbs.db ################### build*/* +# bootstrap # +############# +*.tar.bz2* + # IDE related files # ##################### *.xcodeproj/* build.sh .vscode *.code-workspace +.ctags +tags # Eigen source # ################ diff --git a/bootstrap.sh b/bootstrap.sh index f0a3a7f1..1510e3a1 100755 --- a/bootstrap.sh +++ b/bootstrap.sh @@ -1,10 +1,16 @@ #!/usr/bin/env bash -EIGEN_URL='http://bitbucket.org/eigen/eigen/get/3.3.3.tar.bz2' +EIGEN_SRC='3.3.3.tar.bz2' +EIGEN_URL="http://bitbucket.org/eigen/eigen/get/${EIGEN_SRC}" -echo "-- deploying Eigen source..." -wget ${EIGEN_URL} --no-check-certificate && ./scripts/update_eigen.sh `basename ${EIGEN_URL}` && rm `basename ${EIGEN_URL}` -#rm `basename ${EIGEN_URL}` +if [ -f ${EIGEN_SRC} ]; then + echo "-- skip deploying Eigen source..." +else + echo "-- deploying Eigen source..." + wget ${EIGEN_URL} --no-check-certificate + ./scripts/update_eigen.sh `basename ${EIGEN_URL}` + #rm `basename ${EIGEN_URL}` +fi echo '-- generating Make.inc files...' ./scripts/filelist diff --git a/lib/algorithms/Algorithms.h b/lib/algorithms/Algorithms.h index 09748241..58f6e1d4 100644 --- a/lib/algorithms/Algorithms.h +++ b/lib/algorithms/Algorithms.h @@ -50,6 +50,7 @@ Author: Peter Boyle #include #include #include +#include #include #include diff --git a/lib/algorithms/approx/Chebyshev.h b/lib/algorithms/approx/Chebyshev.h index 11d5c33f..b3364a7c 100644 --- a/lib/algorithms/approx/Chebyshev.h +++ b/lib/algorithms/approx/Chebyshev.h @@ -54,10 +54,16 @@ struct ChebyParams : Serializable { public: void csv(std::ostream &out){ - RealD diff = hi-lo; + +#if 0 RealD delta = (hi-lo)*1.0e-9; for (RealD x=lo; x +Author: Chulwoo Jung +Author: Yong-Chull Jang +Author: Guido Cossu + + 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 */ +#ifndef GRID_IRBL_H +#define GRID_IRBL_H + +#include //memset + +#define Glog std::cout << GridLogMessage + +namespace Grid { + +enum class LanczosType { irbl, rbl }; + +///////////////////////////////////////////////////////////// +// Implicitly restarted block lanczos +///////////////////////////////////////////////////////////// +template +class ImplicitlyRestartedBlockLanczos { + +private: + + std::string cname = std::string("ImplicitlyRestartedBlockLanczos"); + int MaxIter; // Max iterations + int Nstop; // Number of evecs checked for convergence + int Nu; // Numbeer of vecs in the unit block + int Nk; // Number of converged sought + int Nm; // total number of vectors + int Nblock_k; // Nk/Nu + int Nblock_m; // Nm/Nu + int Nconv_test_interval; // Number of skipped vectors when checking a convergence + RealD eresid; + IRLdiagonalisation diagonalisation; + //////////////////////////////////// + // Embedded objects + //////////////////////////////////// + SortEigen _sort; + LinearOperatorBase &_Linop; + OperatorFunction &_poly; + + ///////////////////////// + // Constructor + ///////////////////////// +public: + ImplicitlyRestartedBlockLanczos(LinearOperatorBase &Linop, // op + OperatorFunction & poly, // polynomial + int _Nstop, // really sought vecs + int _Nconv_test_interval, // conv check interval + int _Nu, // vecs in the unit block + int _Nk, // sought vecs + int _Nm, // total vecs + RealD _eresid, // resid in lmd deficit + int _MaxIter, // Max iterations + IRLdiagonalisation _diagonalisation = IRLdiagonaliseWithEigen) + : _Linop(Linop), _poly(poly), + Nstop(_Nstop), Nconv_test_interval(_Nconv_test_interval), + Nu(_Nu), Nk(_Nk), Nm(_Nm), + Nblock_m(_Nm/_Nu), Nblock_k(_Nk/_Nu), + //eresid(_eresid), MaxIter(10), + eresid(_eresid), MaxIter(_MaxIter), + diagonalisation(_diagonalisation) + { assert( (Nk%Nu==0) && (Nm%Nu==0) ); }; + + //////////////////////////////// + // Helpers + //////////////////////////////// + static RealD normalize(Field& v) + { + RealD nn = norm2(v); + nn = sqrt(nn); + v = v * (1.0/nn); + return nn; + } + + void orthogonalize(Field& w, std::vector& evec, int k) + { + typedef typename Field::scalar_type MyComplex; + MyComplex ip; + + for(int j=0; j& evec, int k, int Nu) + { + typedef typename Field::scalar_type MyComplex; + MyComplex ip; + + for(int j=0; j& eval, + std::vector& evec, + const std::vector& src, int& Nconv, LanczosType Impl) + { + switch (Impl) { + case LanczosType::irbl: + calc_irbl(eval,evec,src,Nconv); + break; + + case LanczosType::rbl: + calc_rbl(eval,evec,src,Nconv); + break; + } + } + + void calc_irbl(std::vector& eval, + std::vector& evec, + const std::vector& src, int& Nconv) + { + std::string fname = std::string(cname+"::calc_irbl()"); + GridBase *grid = evec[0]._grid; + assert(grid == src[0]._grid); + assert( Nu = src.size() ); + + Glog << std::string(74,'*') << std::endl; + Glog << fname + " starting iteration 0 / "<< MaxIter<< std::endl; + Glog << std::string(74,'*') << std::endl; + Glog <<" -- seek Nk = "<< Nk <<" vectors"<< std::endl; + Glog <<" -- accept Nstop = "<< Nstop <<" vectors"<< std::endl; + Glog <<" -- total Nm = "<< Nm <<" vectors"<< std::endl; + Glog <<" -- size of eval = "<< eval.size() << std::endl; + Glog <<" -- size of evec = "<< evec.size() << std::endl; + if ( diagonalisation == IRLdiagonaliseWithEigen ) { + Glog << "Diagonalisation is Eigen "<< std::endl; + } else { + abort(); + } + Glog << std::string(74,'*') << std::endl; + + assert(Nm == evec.size() && Nm == eval.size()); + + std::vector> lmd(Nu,std::vector(Nm,0.0)); + std::vector> lme(Nu,std::vector(Nm,0.0)); + std::vector> lmd2(Nu,std::vector(Nm,0.0)); + std::vector> lme2(Nu,std::vector(Nm,0.0)); + std::vector eval2(Nm); + std::vector resid(Nk); + + Eigen::MatrixXcd Qt = Eigen::MatrixXcd::Zero(Nm,Nm); + Eigen::MatrixXcd Q = Eigen::MatrixXcd::Zero(Nm,Nm); + + std::vector Iconv(Nm); + std::vector B(Nm,grid); // waste of space replicating + + std::vector f(Nu,grid); + std::vector f_copy(Nu,grid); + Field v(grid); + + Nconv = 0; + + RealD beta_k; + + // set initial vector + for (int i=0; i& eval, + std::vector& evec, + const std::vector& src, int& Nconv) + { + std::string fname = std::string(cname+"::calc_rbl()"); + GridBase *grid = evec[0]._grid; + assert(grid == src[0]._grid); + assert( Nu = src.size() ); + + int Np = (Nm-Nk); + if (Np > 0 && MaxIter > 1) Np /= MaxIter; + int Nblock_p = Np/Nu; + + Glog << std::string(74,'*') << std::endl; + Glog << fname + " starting iteration 0 / "<< MaxIter<< std::endl; + Glog << std::string(74,'*') << std::endl; + Glog <<" -- seek (min) Nk = "<< Nk <<" vectors"<< std::endl; + Glog <<" -- seek (inc) Np = "<< Np <<" vectors"<< std::endl; + Glog <<" -- seek (max) Nm = "<< Nm <<" vectors"<< std::endl; + Glog <<" -- accept Nstop = "<< Nstop <<" vectors"<< std::endl; + Glog <<" -- size of eval = "<< eval.size() << std::endl; + Glog <<" -- size of evec = "<< evec.size() << std::endl; + if ( diagonalisation == IRLdiagonaliseWithEigen ) { + Glog << "Diagonalisation is Eigen "<< std::endl; + } else { + abort(); + } + Glog << std::string(74,'*') << std::endl; + + assert(Nm == evec.size() && Nm == eval.size()); + + std::vector> lmd(Nu,std::vector(Nm,0.0)); + std::vector> lme(Nu,std::vector(Nm,0.0)); + std::vector> lmd2(Nu,std::vector(Nm,0.0)); + std::vector> lme2(Nu,std::vector(Nm,0.0)); + std::vector eval2(Nk); + std::vector resid(Nm); + + Eigen::MatrixXcd Qt = Eigen::MatrixXcd::Zero(Nm,Nm); + Eigen::MatrixXcd Q = Eigen::MatrixXcd::Zero(Nm,Nm); + + std::vector Iconv(Nm); + std::vector B(Nm,grid); // waste of space replicating + + std::vector f(Nu,grid); + std::vector f_copy(Nu,grid); + Field v(grid); + + Nconv = 0; + + RealD beta_k; + + // set initial vector + for (int i=0; i>& lmd, + std::vector>& lme, + std::vector& evec, + std::vector& w, + std::vector& w_copy, + int b) + { + const RealD tiny = 1.0e-20; + + int Nu = w.size(); + int Nm = evec.size(); + assert( b < Nm/Nu ); + + // converts block index to full indicies for an interval [L,R) + int L = Nu*b; + int R = Nu*(b+1); + + Real beta; + + // 3. wk:=Avk−βkv_{k−1} + for (int k=L, u=0; k0) { + for (int u=0; u>& lmd, + std::vector>& lme, + int Nu, int Nb, int Nk, int Nm, + Eigen::MatrixXcd& M) + { + //Glog << "packHermitBlockTriDiagMatfromEigen() begin" << '\n'; + assert( Nk%Nu == 0 && Nm%Nu == 0 ); + assert( Nk <= Nm ); + + // rearrange + for ( int u=0; u QRD(Mtmp); + Q = QRD.householderQ(); + R = QRD.matrixQR(); // upper triangular part is the R matrix. + // lower triangular part used to represent series + // of Q sequence. + + // equivalent operation of Qprod *= Q + //M = Eigen::MatrixXcd::Zero(Nm,Nm); + + //for (int i=0; i Nm) kmax = Nm; + for (int k=i; ki) M(i,j) = conj(M(j,i)); + // if (i-j > Nu || j-i > Nu) M(i,j) = 0.; + // } + //} + + //Glog << "shiftedQRDecompEigen() end" << endl; + } + + void exampleQRDecompEigen(void) + { + Eigen::MatrixXd A = Eigen::MatrixXd::Zero(3,3); + Eigen::MatrixXd Q = Eigen::MatrixXd::Zero(3,3); + Eigen::MatrixXd R = Eigen::MatrixXd::Zero(3,3); + Eigen::MatrixXd P = Eigen::MatrixXd::Zero(3,3); + + A(0,0) = 12.0; + A(0,1) = -51.0; + A(0,2) = 4.0; + A(1,0) = 6.0; + A(1,1) = 167.0; + A(1,2) = -68.0; + A(2,0) = -4.0; + A(2,1) = 24.0; + A(2,2) = -41.0; + + Glog << "matrix A before ColPivHouseholder" << std::endl; + for ( int i=0; i<3; i++ ) { + for ( int j=0; j<3; j++ ) { + Glog << "A[" << i << "," << j << "] = " << A(i,j) << '\n'; + } + } + Glog << std::endl; + + Eigen::ColPivHouseholderQR QRD(A); + + Glog << "matrix A after ColPivHouseholder" << std::endl; + for ( int i=0; i<3; i++ ) { + for ( int j=0; j<3; j++ ) { + Glog << "A[" << i << "," << j << "] = " << A(i,j) << '\n'; + } + } + Glog << std::endl; + + Glog << "HouseholderQ with sequence lenth = nonzeroPiviots" << std::endl; + Q = QRD.householderQ().setLength(QRD.nonzeroPivots()); + for ( int i=0; i<3; i++ ) { + for ( int j=0; j<3; j++ ) { + Glog << "Q[" << i << "," << j << "] = " << Q(i,j) << '\n'; + } + } + Glog << std::endl; + + Glog << "HouseholderQ with sequence lenth = 1" << std::endl; + Q = QRD.householderQ().setLength(1); + for ( int i=0; i<3; i++ ) { + for ( int j=0; j<3; j++ ) { + Glog << "Q[" << i << "," << j << "] = " << Q(i,j) << '\n'; + } + } + Glog << std::endl; + + Glog << "HouseholderQ with sequence lenth = 2" << std::endl; + Q = QRD.householderQ().setLength(2); + for ( int i=0; i<3; i++ ) { + for ( int j=0; j<3; j++ ) { + Glog << "Q[" << i << "," << j << "] = " << Q(i,j) << '\n'; + } + } + Glog << std::endl; + + Glog << "matrixR" << std::endl; + R = QRD.matrixR(); + for ( int i=0; i<3; i++ ) { + for ( int j=0; j<3; j++ ) { + Glog << "R[" << i << "," << j << "] = " << R(i,j) << '\n'; + } + } + Glog << std::endl; + + Glog << "rank = " << QRD.rank() << std::endl; + Glog << "threshold = " << QRD.threshold() << std::endl; + + Glog << "matrixP" << std::endl; + P = QRD.colsPermutation(); + for ( int i=0; i<3; i++ ) { + for ( int j=0; j<3; j++ ) { + Glog << "P[" << i << "," << j << "] = " << P(i,j) << '\n'; + } + } + Glog << std::endl; + + + Glog << "QR decomposition without column pivoting" << std::endl; + + A(0,0) = 12.0; + A(0,1) = -51.0; + A(0,2) = 4.0; + A(1,0) = 6.0; + A(1,1) = 167.0; + A(1,2) = -68.0; + A(2,0) = -4.0; + A(2,1) = 24.0; + A(2,2) = -41.0; + + Glog << "matrix A before Householder" << std::endl; + for ( int i=0; i<3; i++ ) { + for ( int j=0; j<3; j++ ) { + Glog << "A[" << i << "," << j << "] = " << A(i,j) << '\n'; + } + } + Glog << std::endl; + + Eigen::HouseholderQR QRDplain(A); + + Glog << "HouseholderQ" << std::endl; + Q = QRDplain.householderQ(); + for ( int i=0; i<3; i++ ) { + for ( int j=0; j<3; j++ ) { + Glog << "Q[" << i << "," << j << "] = " << Q(i,j) << '\n'; + } + } + Glog << std::endl; + + Glog << "matrix A after Householder" << std::endl; + for ( int i=0; i<3; i++ ) { + for ( int j=0; j<3; j++ ) { + Glog << "A[" << i << "," << j << "] = " << A(i,j) << '\n'; + } + } + Glog << std::endl; + } + + }; +} +#undef Glog +#endif diff --git a/lib/algorithms/iterative/ImplicitlyRestartedBlockLanczos.h.bak b/lib/algorithms/iterative/ImplicitlyRestartedBlockLanczos.h.bak new file mode 100644 index 00000000..234d4c5c --- /dev/null +++ b/lib/algorithms/iterative/ImplicitlyRestartedBlockLanczos.h.bak @@ -0,0 +1,835 @@ + /************************************************************************************* + + Grid physics library, www.github.com/paboyle/Grid + + Source file: ./lib/algorithms/iterative/ImplicitlyRestartedBlockLanczos.h + + Copyright (C) 2015 + +Author: Peter Boyle +Author: Chulwoo Jung +Author: Yong-Chull Jang +Author: Guido Cossu + + 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 */ +#ifndef GRID_IRBL_H +#define GRID_IRBL_H + +#include //memset + +#define clog std::cout << GridLogMessage + +namespace Grid { + +///////////////////////////////////////////////////////////// +// Implicitly restarted block lanczos +///////////////////////////////////////////////////////////// +template +class ImplicitlyRestartedBlockLanczos { + +private: + + std::string cname = std::string("ImplicitlyRestartedBlockLanczos"); + int MaxIter; // Max iterations + int Nstop; // Number of evecs checked for convergence + int Nu; // Numbeer of vecs in the unit block + int Nk; // Number of converged sought + int Nm; // total number of vectors + int Nblock_k; // Nk/Nu + int Nblock_m; // Nm/Nu + RealD eresid; + IRLdiagonalisation diagonalisation; + //////////////////////////////////// + // Embedded objects + //////////////////////////////////// + SortEigen _sort; + LinearOperatorBase &_Linop; + OperatorFunction &_poly; + + ///////////////////////// + // Constructor + ///////////////////////// +public: + ImplicitlyRestartedBlockLanczos(LinearOperatorBase &Linop, // op + OperatorFunction & poly, // polynomial + int _Nstop, // really sought vecs + int _Nu, // vecs in the unit block + int _Nk, // sought vecs + int _Nm, // total vecs + RealD _eresid, // resid in lmd deficit + int _MaxIter, // Max iterations + IRLdiagonalisation _diagonalisation = IRLdiagonaliseWithEigen) + : _Linop(Linop), _poly(poly), + Nstop(_Nstop), Nu(_Nu), Nk(_Nk), Nm(_Nm), + Nblock_m(_Nm/_Nu), Nblock_k(_Nk/_Nu), + //eresid(_eresid), MaxIter(10), + eresid(_eresid), MaxIter(_MaxIter), + diagonalisation(_diagonalisation) + { assert( (Nk%Nu==0) && (Nm%Nu==0) ); }; + + //////////////////////////////// + // Helpers + //////////////////////////////// + static RealD normalize(Field& v) + { + RealD nn = norm2(v); + nn = sqrt(nn); + v = v * (1.0/nn); + return nn; + } + + void orthogonalize(Field& w, std::vector& evec, int k) + { + typedef typename Field::scalar_type MyComplex; + MyComplex ip; + + for(int j=0; j K P = M − K † +Compute the factorization AVM = VM HM + fM eM +repeat + Q=I + for i = 1,...,P do + QiRi =HM −θiI Q = QQi + H M = Q †i H M Q i + end for + βK =HM(K+1,K) σK =Q(M,K) + r=vK+1βK +rσK + VK =VM(1:M)Q(1:M,1:K) + HK =HM(1:K,1:K) + →AVK =VKHK +fKe†K † Extend to an M = K + P step factorization AVM = VMHM + fMeM +until convergence +*/ + void calc(std::vector& eval, + std::vector& evec, + const std::vector& src, int& Nconv) + { + std::string fname = std::string(cname+"::calc()"); + GridBase *grid = evec[0]._grid; + assert(grid == src[0]._grid); + assert( Nu = src.size() ); + + clog << std::string(74,'*') << std::endl; + clog << fname + " starting iteration 0 / "<< MaxIter<< std::endl; + clog << std::string(74,'*') << std::endl; + clog <<" -- seek Nk = "<< Nk <<" vectors"<< std::endl; + clog <<" -- accept Nstop = "<< Nstop <<" vectors"<< std::endl; + clog <<" -- total Nm = "<< Nm <<" vectors"<< std::endl; + clog <<" -- size of eval = "<< eval.size() << std::endl; + clog <<" -- size of evec = "<< evec.size() << std::endl; + if ( diagonalisation == IRLdiagonaliseWithEigen ) { + clog << "Diagonalisation is Eigen "<< std::endl; + } else { + abort(); + } + clog << std::string(74,'*') << std::endl; + + assert(Nm == evec.size() && Nm == eval.size()); + + std::vector> lmd(Nu,std::vector(Nm,0.0)); + std::vector> lme(Nu,std::vector(Nm,0.0)); + std::vector> lmd2(Nu,std::vector(Nm,0.0)); + std::vector> lme2(Nu,std::vector(Nm,0.0)); + std::vector eval2(Nm); + + Eigen::MatrixXcd Qt = Eigen::MatrixXcd::Zero(Nm,Nm); + Eigen::MatrixXcd Q = Eigen::MatrixXcd::Zero(Nm,Nm); + + std::vector Iconv(Nm); + std::vector B(Nm,grid); // waste of space replicating + + std::vector f(Nu,grid); + std::vector f_copy(Nu,grid); + Field v(grid); + + Nconv = 0; + + RealD beta_k; + + // set initial vector + for (int i=0; i=Nstop ){ + goto converged; + } + + } // end of iter loop + + clog <<"**************************************************************************"<< std::endl; + std::cout<< GridLogError << fname + " NOT converged."; + clog <<"**************************************************************************"<< std::endl; + abort(); + + converged: + // Sorting + eval.resize(Nconv); + evec.resize(Nconv,grid); + for(int i=0; i>& lmd, + std::vector>& lme, + std::vector& evec, + std::vector& w, + std::vector& w_copy, + int b) + { + const RealD tiny = 1.0e-20; + + int Nu = w.size(); + int Nm = evec.size(); + assert( b < Nm/Nu ); + + // converts block index to full indicies for an interval [L,R) + int L = Nu*b; + int R = Nu*(b+1); + + Real beta; + + // 3. wk:=Avk−βkv_{k−1} + for (int k=L, u=0; k0) { + for (int u=0; u>& lmd, + std::vector>& lme, + int Nu, int Nb, int Nk, int Nm, + Eigen::MatrixXcd& M) + { + //clog << "packHermitBlockTriDiagMatfromEigen() begin" << '\n'; + assert( Nk%Nu == 0 && Nm%Nu == 0 ); + assert( Nk <= Nm ); + + // rearrange + for ( int u=0; u QRD(Mtmp); +// Q = QRD.householderQ(); +// +// M = Q.adjoint()*(M*Q); +//#if 0 +// Qprod *= Q; +//#else +// Mtmp = Qprod*Q; +// +// Eigen::HouseholderQR QRD2(Mtmp); +// Qprod = QRD2.householderQ(); +// +// Mtmp -= Qprod; +// clog << "Frobenius norm ||Qprod(after) - Qprod|| = " << Mtmp.norm() << std::endl; +//#endif +// //clog << "shiftedQRDecompEigen() end" << endl; +// } + void shiftedQRDecompEigen(Eigen::MatrixXcd& M, int Nm, + RealD Dsh, + Eigen::MatrixXcd& Qprod) + { + //clog << "shiftedQRDecompEigen() begin" << '\n'; + Eigen::MatrixXcd Mtmp = Eigen::MatrixXcd::Zero(Nm,Nm); + //Eigen::MatrixXcd Qtmp = Eigen::MatrixXcd::Zero(Nm,Nm); + + Mtmp = Qprod.adjoint()*(M*Qprod); + for (int i=0; i QRD(Mtmp); + //Qtmp = Qprod*QRD.householderQ(); + + //Eigen::HouseholderQR QRD2(Qtmp); + //Qprod = QRD2.householderQ(); + + Qprod *= QRD.householderQ(); + //ComplexD p; + //RealD r; + + //r = 0.; + //for (int k=0; k //memset + +#define clog std::cout << GridLogMessage + +namespace Grid { + +///////////////////////////////////////////////////////////// +// Implicitly restarted block lanczos +///////////////////////////////////////////////////////////// +template +class ImplicitlyRestartedBlockLanczos { + +private: + + std::string cname = std::string("ImplicitlyRestartedBlockLanczos"); + int MaxIter; // Max iterations + int Nstop; // Number of evecs checked for convergence + int Nu; // Numbeer of vecs in the unit block + int Nk; // Number of converged sought + int Nm; // total number of vectors + int Nblock_k; // Nk/Nu + int Nblock_m; // Nm/Nu + RealD eresid; + IRLdiagonalisation diagonalisation; + //////////////////////////////////// + // Embedded objects + //////////////////////////////////// + SortEigen _sort; + LinearOperatorBase &_Linop; + OperatorFunction &_poly; + + ///////////////////////// + // Constructor + ///////////////////////// +public: + ImplicitlyRestartedBlockLanczos(LinearOperatorBase &Linop, // op + OperatorFunction & poly, // polynomial + int _Nstop, // really sought vecs + int _Nu, // vecs in the unit block + int _Nk, // sought vecs + int _Nm, // total vecs + RealD _eresid, // resid in lmd deficit + int _MaxIter, // Max iterations + IRLdiagonalisation _diagonalisation = IRLdiagonaliseWithEigen) + : _Linop(Linop), _poly(poly), + Nstop(_Nstop), Nu(_Nu), Nk(_Nk), Nm(_Nm), + Nblock_m(_Nm/_Nu), Nblock_k(_Nk/_Nu), + //eresid(_eresid), MaxIter(10), + eresid(_eresid), MaxIter(_MaxIter), + diagonalisation(_diagonalisation) + { assert( (Nk%Nu==0) && (Nm%Nu==0) ); }; + + //////////////////////////////// + // Helpers + //////////////////////////////// + static RealD normalize(Field& v) + { + RealD nn = norm2(v); + nn = sqrt(nn); + v = v * (1.0/nn); + return nn; + } + + void orthogonalize(Field& w, std::vector& evec, int k) + { + typedef typename Field::scalar_type MyComplex; + MyComplex ip; + + for(int j=0; j& evec, int k, int Nu) + { + typedef typename Field::scalar_type MyComplex; + MyComplex ip; + + for(int j=0; j K P = M − K † +Compute the factorization AVM = VM HM + fM eM +repeat + Q=I + for i = 1,...,P do + QiRi =HM −θiI Q = QQi + H M = Q †i H M Q i + end for + βK =HM(K+1,K) σK =Q(M,K) + r=vK+1βK +rσK + VK =VM(1:M)Q(1:M,1:K) + HK =HM(1:K,1:K) + →AVK =VKHK +fKe†K † Extend to an M = K + P step factorization AVM = VMHM + fMeM +until convergence +*/ + void calc(std::vector& eval, + std::vector& evec, + const std::vector& src, int& Nconv) + { + std::string fname = std::string(cname+"::calc()"); + GridBase *grid = evec[0]._grid; + assert(grid == src[0]._grid); + assert( Nu = src.size() ); + + clog << std::string(74,'*') << std::endl; + clog << fname + " starting iteration 0 / "<< MaxIter<< std::endl; + clog << std::string(74,'*') << std::endl; + clog <<" -- seek Nk = "<< Nk <<" vectors"<< std::endl; + clog <<" -- accept Nstop = "<< Nstop <<" vectors"<< std::endl; + clog <<" -- total Nm = "<< Nm <<" vectors"<< std::endl; + clog <<" -- size of eval = "<< eval.size() << std::endl; + clog <<" -- size of evec = "<< evec.size() << std::endl; + if ( diagonalisation == IRLdiagonaliseWithEigen ) { + clog << "Diagonalisation is Eigen "<< std::endl; + } else { + abort(); + } + clog << std::string(74,'*') << std::endl; + + assert(Nm == evec.size() && Nm == eval.size()); + + std::vector> lmd(Nu,std::vector(Nm,0.0)); + std::vector> lme(Nu,std::vector(Nm,0.0)); + std::vector> lmd2(Nu,std::vector(Nm,0.0)); + std::vector> lme2(Nu,std::vector(Nm,0.0)); + std::vector eval2(Nm); + + Eigen::MatrixXcd Qt = Eigen::MatrixXcd::Zero(Nm,Nm); + Eigen::MatrixXcd Q = Eigen::MatrixXcd::Zero(Nm,Nm); + + std::vector Iconv(Nm); + std::vector B(Nm,grid); // waste of space replicating + + std::vector f(Nu,grid); + std::vector f_copy(Nu,grid); + Field v(grid); + + Nconv = 0; + + RealD beta_k; + + // set initial vector + for (int i=0; i=Nstop ){ + goto converged; + } + + + } // end of iter loop + + clog <<"**************************************************************************"<< std::endl; + std::cout<< GridLogError << fname + " NOT converged."; + clog <<"**************************************************************************"<< std::endl; + abort(); + + converged: + // Sorting + eval.resize(Nconv); + evec.resize(Nconv,grid); + for(int i=0; i>& lmd, + std::vector>& lme, + std::vector& evec, + std::vector& w, + std::vector& w_copy, + int b) + { + const RealD tiny = 1.0e-20; + + int Nu = w.size(); + int Nm = evec.size(); + assert( b < Nm/Nu ); + + // converts block index to full indicies for an interval [L,R) + int L = Nu*b; + int R = Nu*(b+1); + + Real beta; + + // 3. wk:=Avk−βkv_{k−1} + for (int k=L, u=0; k0) { + for (int u=0; u>& lmd, + std::vector>& lme, + int Nu, int Nb, int Nk, int Nm, + Eigen::MatrixXcd& M) + { + //clog << "packHermitBlockTriDiagMatfromEigen() begin" << '\n'; + assert( Nk%Nu == 0 && Nm%Nu == 0 ); + assert( Nk <= Nm ); + + // rearrange + for ( int u=0; u QRD(Mtmp); + Q = QRD.householderQ(); + for (int j=0; j QRD(Mtmp); + Q = QRD.householderQ(); + R = QRD.matrixQR(); // upper triangular part is the R matrix. + // lower triangular part used to represent series + // of Q sequence. + + // equivalent operation of Qprod *= Q + //M = Eigen::MatrixXcd::Zero(Nm,Nm); + + //for (int i=0; i Nm) kmax = Nm; + // for (int k=i; ki) M(i,j) = conj(M(j,i)); + if (i-j > Nu || j-i > Nu) M(i,j) = 0.; + } + } + + //clog << "shiftedQRDecompEigen() end" << endl; + } +#endif +#if 0 + void shiftedQRDecompEigen(Eigen::MatrixXcd& M, int Nu, int Nm, + RealD Dsh, + Eigen::MatrixXcd& Qprod) + { + //clog << "shiftedQRDecompEigen() begin" << '\n'; + Eigen::MatrixXcd Mtmp = Eigen::MatrixXcd::Zero(Nm,Nm); + Eigen::MatrixXcd Q = Eigen::MatrixXcd::Zero(Nm,Nm); + + Mtmp = M; + for (int i=0; i QRD(Mtmp); + Q = QRD.householderQ(); + + M = Q.adjoint()*(M*Q); + for (int i=0; i QRD2(Mtmp); + Qprod = QRD2.householderQ(); + + Mtmp -= Qprod; + clog << "Frobenius norm ||Qprod(after) - Qprod|| = " << Mtmp.norm() << std::endl; +#endif + //clog << "shiftedQRDecompEigen() end" << endl; + } +#endif +#if 0 + void shiftedQRDecompEigen(Eigen::MatrixXcd& M, int Nm, + RealD Dsh, + Eigen::MatrixXcd& Qprod) + { + //clog << "shiftedQRDecompEigen() begin" << '\n'; + Eigen::MatrixXcd Mtmp = Eigen::MatrixXcd::Zero(Nm,Nm); + //Eigen::MatrixXcd Qtmp = Eigen::MatrixXcd::Zero(Nm,Nm); + + Mtmp = Qprod.adjoint()*(M*Qprod); + for (int i=0; i QRD(Mtmp); + //Qtmp = Qprod*QRD.householderQ(); + + //Eigen::HouseholderQR QRD2(Qtmp); + //Qprod = QRD2.householderQ(); + + Qprod *= QRD.householderQ(); + //ComplexD p; + //RealD r; + + //r = 0.; + //for (int k=0; k0); + // for (int j=0; j= MinRestart) { @@ -574,10 +622,17 @@ until convergence _PolyOp(evec_k,w); std::cout<0) w -= lme[k-1] * evec[k-1]; + if(k>0) { + w -= lme[k-1] * evec[k-1]; + //clog << "ckpt A (k= " << k << ")" << '\n'; + //clog << "lme = " << lme[k-1] << '\n'; + //clog << "norm(w) = " << norm2(w) << std::endl; + } ComplexD zalph = innerProduct(evec_k,w); // 4. αk:=(wk,vk) RealD alph = real(zalph); + //clog << "ckpt B (k= " << k << ")" << '\n'; + //clog << "lmd = " << alph << std::endl; w = w - alph * evec_k;// 5. wk:=wk−αkvk @@ -838,4 +893,5 @@ void diagonalize_QR(std::vector& lmd, std::vector& lme, } }; } +#undef clog #endif diff --git a/lib/algorithms/iterative/ImplicitlyRestartedLanczos.h.bak b/lib/algorithms/iterative/ImplicitlyRestartedLanczos.h.bak new file mode 100644 index 00000000..a8723f32 --- /dev/null +++ b/lib/algorithms/iterative/ImplicitlyRestartedLanczos.h.bak @@ -0,0 +1,625 @@ + /************************************************************************************* + + Grid physics library, www.github.com/paboyle/Grid + + Source file: ./lib/algorithms/iterative/ImplicitlyRestartedLanczos.h + + Copyright (C) 2015 + +Author: Peter Boyle +Author: Chulwoo Jung +Author: Guido Cossu + + 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 */ +#ifndef GRID_IRL_H +#define GRID_IRL_H + +#include //memset + +namespace Grid { + + enum IRLdiagonalisation { + IRLdiagonaliseWithDSTEGR, + IRLdiagonaliseWithQR, + IRLdiagonaliseWithEigen + }; + +//////////////////////////////////////////////////////////////////////////////// +// Helper class for sorting the evalues AND evectors by Field +// Use pointer swizzle on vectors +//////////////////////////////////////////////////////////////////////////////// +template +class SortEigen { + private: + static bool less_lmd(RealD left,RealD right){ + return left > right; + } + static bool less_pair(std::pair& left, + std::pair& right){ + return left.first > (right.first); + } + + public: + void push(std::vector& lmd,std::vector& evec,int N) { + + //////////////////////////////////////////////////////////////////////// + // PAB: FIXME: VERY VERY VERY wasteful: takes a copy of the entire vector set. + // : The vector reorder should be done by pointer swizzle somehow + //////////////////////////////////////////////////////////////////////// + std::vector cpy(lmd.size(),evec[0]._grid); + for(int i=0;i > emod(lmd.size()); + + for(int i=0;i(lmd[i],&cpy[i]); + + partial_sort(emod.begin(),emod.begin()+N,emod.end(),less_pair); + + typename std::vector >::iterator it = emod.begin(); + for(int i=0;ifirst; + evec[i]=*(it->second); + ++it; + } + } + void push(std::vector& lmd,int N) { + std::partial_sort(lmd.begin(),lmd.begin()+N,lmd.end(),less_lmd); + } + bool saturated(RealD lmd, RealD thrs) { + return fabs(lmd) > fabs(thrs); + } +}; + +///////////////////////////////////////////////////////////// +// Implicitly restarted lanczos +///////////////////////////////////////////////////////////// +template +class ImplicitlyRestartedLanczos { + +private: + + int MaxIter; // Max iterations + int Nstop; // Number of evecs checked for convergence + int Nk; // Number of converged sought + int Nm; // Nm -- total number of vectors + RealD eresid; + IRLdiagonalisation diagonalisation; + //////////////////////////////////// + // Embedded objects + //////////////////////////////////// + SortEigen _sort; + LinearOperatorBase &_Linop; + OperatorFunction &_poly; + + ///////////////////////// + // Constructor + ///////////////////////// +public: + ImplicitlyRestartedLanczos(LinearOperatorBase &Linop, // op + OperatorFunction & poly, // polynomial + int _Nstop, // really sought vecs + int _Nk, // sought vecs + int _Nm, // total vecs + RealD _eresid, // resid in lmd deficit + int _MaxIter, // Max iterations + IRLdiagonalisation _diagonalisation= IRLdiagonaliseWithEigen ) : + _Linop(Linop), _poly(poly), + Nstop(_Nstop), Nk(_Nk), Nm(_Nm), + eresid(_eresid), MaxIter(_MaxIter), + diagonalisation(_diagonalisation) + { }; + + //////////////////////////////// + // Helpers + //////////////////////////////// + static RealD normalise(Field& v) + { + RealD nn = norm2(v); + nn = sqrt(nn); + v = v * (1.0/nn); + return nn; + } + + void orthogonalize(Field& w, std::vector& evec, int k) + { + typedef typename Field::scalar_type MyComplex; + MyComplex ip; + + for(int j=0; j K P = M − K † +Compute the factorization AVM = VM HM + fM eM +repeat + Q=I + for i = 1,...,P do + QiRi =HM −θiI Q = QQi + H M = Q †i H M Q i + end for + βK =HM(K+1,K) σK =Q(M,K) + r=vK+1βK +rσK + VK =VM(1:M)Q(1:M,1:K) + HK =HM(1:K,1:K) + →AVK =VKHK +fKe†K † Extend to an M = K + P step factorization AVM = VMHM + fMeM +until convergence +*/ + void calc(std::vector& eval, std::vector& evec, const Field& src, int& Nconv) + { + + GridBase *grid = evec[0]._grid; + assert(grid == src._grid); + + std::cout << GridLogMessage <<"**************************************************************************"<< std::endl; + std::cout << GridLogMessage <<" ImplicitlyRestartedLanczos::calc() starting iteration 0 / "<< MaxIter<< std::endl; + std::cout << GridLogMessage <<"**************************************************************************"<< std::endl; + std::cout << GridLogMessage <<" -- seek Nk = " << Nk <<" vectors"<< std::endl; + std::cout << GridLogMessage <<" -- accept Nstop = " << Nstop <<" vectors"<< std::endl; + std::cout << GridLogMessage <<" -- total Nm = " << Nm <<" vectors"<< std::endl; + std::cout << GridLogMessage <<" -- size of eval = " << eval.size() << std::endl; + std::cout << GridLogMessage <<" -- size of evec = " << evec.size() << std::endl; + if ( diagonalisation == IRLdiagonaliseWithDSTEGR ) { + std::cout << GridLogMessage << "Diagonalisation is DSTEGR "< lme(Nm); + std::vector lme2(Nm); + std::vector eval2(Nm); + + Eigen::MatrixXd Qt = Eigen::MatrixXd::Zero(Nm,Nm); + + std::vector Iconv(Nm); + std::vector B(Nm,grid); // waste of space replicating + + Field f(grid); + Field v(grid); + + int k1 = 1; + int k2 = Nk; + + Nconv = 0; + + RealD beta_k; + + // Set initial vector + evec[0] = src; + std::cout << GridLogMessage <<"norm2(src)= " << norm2(src)<=Nstop ){ + goto converged; + } + } // end of iter loop + + std::cout << GridLogMessage <<"**************************************************************************"<< std::endl; + std::cout<< GridLogError <<" ImplicitlyRestartedLanczos::calc() NOT converged."; + std::cout << GridLogMessage <<"**************************************************************************"<< std::endl; + abort(); + + converged: + // Sorting + eval.resize(Nconv); + evec.resize(Nconv,grid); + for(int i=0; i& lmd, + std::vector& lme, + std::vector& evec, + Field& w,int Nm,int k) + { + const RealD tiny = 1.0e-20; + assert( k< Nm ); + + _poly(_Linop,evec[k],w); // 3. wk:=Avk−βkv_{k−1} + + if(k>0) w -= lme[k-1] * evec[k-1]; + + ComplexD zalph = innerProduct(evec[k],w); // 4. αk:=(wk,vk) + RealD alph = real(zalph); + + w = w - alph * evec[k];// 5. wk:=wk−αkvk + + RealD beta = normalise(w); // 6. βk+1 := ∥wk∥2. If βk+1 = 0 then Stop + // 7. vk+1 := wk/βk+1 + + lmd[k] = alph; + lme[k] = beta; + + if ( k > 0 ) orthogonalize(w,evec,k); // orthonormalise + if ( k < Nm-1) evec[k+1] = w; + + if ( beta < tiny ) std::cout << GridLogMessage << " beta is tiny "<& lmd, std::vector& lme, + int Nk, int Nm, + Eigen::MatrixXd & Qt, // Nm x Nm + GridBase *grid) + { + Eigen::MatrixXd TriDiag = Eigen::MatrixXd::Zero(Nk,Nk); + + for(int i=0;i eigensolver(TriDiag); + + for (int i = 0; i < Nk; i++) { + lmd[Nk-1-i] = eigensolver.eigenvalues()(i); + } + for (int i = 0; i < Nk; i++) { + for (int j = 0; j < Nk; j++) { + Qt(Nk-1-i,j) = eigensolver.eigenvectors()(j,i); + } + } + } + /////////////////////////////////////////////////////////////////////////// + // File could end here if settle on Eigen ??? + /////////////////////////////////////////////////////////////////////////// + + void qr_decomp(std::vector& lmd, // Nm + std::vector& lme, // Nm + int Nk, int Nm, // Nk, Nm + Eigen::MatrixXd& Qt, // Nm x Nm matrix + RealD Dsh, int kmin, int kmax) + { + int k = kmin-1; + RealD x; + + RealD Fden = 1.0/hypot(lmd[k]-Dsh,lme[k]); + RealD c = ( lmd[k] -Dsh) *Fden; + RealD s = -lme[k] *Fden; + + RealD tmpa1 = lmd[k]; + RealD tmpa2 = lmd[k+1]; + RealD tmpb = lme[k]; + + lmd[k] = c*c*tmpa1 +s*s*tmpa2 -2.0*c*s*tmpb; + lmd[k+1] = s*s*tmpa1 +c*c*tmpa2 +2.0*c*s*tmpb; + lme[k] = c*s*(tmpa1-tmpa2) +(c*c-s*s)*tmpb; + x =-s*lme[k+1]; + lme[k+1] = c*lme[k+1]; + + for(int i=0; i& lmd, std::vector& lme, + int Nk, int Nm, + Eigen::MatrixXd & Qt, + GridBase *grid) + { + Qt = Eigen::MatrixXd::Identity(Nm,Nm); + if ( diagonalisation == IRLdiagonaliseWithDSTEGR ) { + diagonalize_lapack(lmd,lme,Nk,Nm,Qt,grid); + } else if ( diagonalisation == IRLdiagonaliseWithQR ) { + diagonalize_QR(lmd,lme,Nk,Nm,Qt,grid); + } else if ( diagonalisation == IRLdiagonaliseWithEigen ) { + diagonalize_Eigen(lmd,lme,Nk,Nm,Qt,grid); + } else { + assert(0); + } + } + +#ifdef USE_LAPACK +void LAPACK_dstegr(char *jobz, char *range, int *n, double *d, double *e, + double *vl, double *vu, int *il, int *iu, double *abstol, + int *m, double *w, double *z, int *ldz, int *isuppz, + double *work, int *lwork, int *iwork, int *liwork, + int *info); +#endif + +void diagonalize_lapack(std::vector& lmd, + std::vector& lme, + int Nk, int Nm, + Eigen::MatrixXd& Qt, + GridBase *grid) +{ +#ifdef USE_LAPACK + const int size = Nm; + int NN = Nk; + double evals_tmp[NN]; + double evec_tmp[NN][NN]; + memset(evec_tmp[0],0,sizeof(double)*NN*NN); + double DD[NN]; + double EE[NN]; + for (int i = 0; i< NN; i++) { + for (int j = i - 1; j <= i + 1; j++) { + if ( j < NN && j >= 0 ) { + if (i==j) DD[i] = lmd[i]; + if (i==j) evals_tmp[i] = lmd[i]; + if (j==(i-1)) EE[j] = lme[j]; + } + } + } + int evals_found; + int lwork = ( (18*NN) > (1+4*NN+NN*NN)? (18*NN):(1+4*NN+NN*NN)) ; + int liwork = 3+NN*10 ; + int iwork[liwork]; + double work[lwork]; + int isuppz[2*NN]; + char jobz = 'V'; // calculate evals & evecs + char range = 'I'; // calculate all evals + // char range = 'A'; // calculate all evals + char uplo = 'U'; // refer to upper half of original matrix + char compz = 'I'; // Compute eigenvectors of tridiagonal matrix + int ifail[NN]; + int info; + int total = grid->_Nprocessors; + int node = grid->_processor; + int interval = (NN/total)+1; + double vl = 0.0, vu = 0.0; + int il = interval*node+1 , iu = interval*(node+1); + if (iu > NN) iu=NN; + double tol = 0.0; + if (1) { + memset(evals_tmp,0,sizeof(double)*NN); + if ( il <= NN){ + LAPACK_dstegr(&jobz, &range, &NN, + (double*)DD, (double*)EE, + &vl, &vu, &il, &iu, // these four are ignored if second parameteris 'A' + &tol, // tolerance + &evals_found, evals_tmp, (double*)evec_tmp, &NN, + isuppz, + work, &lwork, iwork, &liwork, + &info); + for (int i = iu-1; i>= il-1; i--){ + evals_tmp[i] = evals_tmp[i - (il-1)]; + if (il>1) evals_tmp[i-(il-1)]=0.; + for (int j = 0; j< NN; j++){ + evec_tmp[i][j] = evec_tmp[i - (il-1)][j]; + if (il>1) evec_tmp[i-(il-1)][j]=0.; + } + } + } + { + grid->GlobalSumVector(evals_tmp,NN); + grid->GlobalSumVector((double*)evec_tmp,NN*NN); + } + } + // Safer to sort instead of just reversing it, + // but the document of the routine says evals are sorted in increasing order. + // qr gives evals in decreasing order. + for(int i=0;i& lmd, std::vector& lme, + int Nk, int Nm, + Eigen::MatrixXd & Qt, + GridBase *grid) + { + int Niter = 100*Nm; + int kmin = 1; + int kmax = Nk; + + // (this should be more sophisticated) + for(int iter=0; iter= kmin; --j){ + RealD dds = fabs(lmd[j-1])+fabs(lmd[j]); + if(fabs(lme[j-1])+dds > dds){ + kmax = j+1; + goto continued; + } + } + Niter = iter; + return; + + continued: + for(int j=0; j dds){ + kmin = j+1; + break; + } + } + } + std::cout << GridLogError << "[QL method] Error - Too many iteration: "<::MooeeInternalAsm(const FermionField &psi, FermionFie a0 = a0+incr; a1 = a1+incr; a2 = a2+sizeof(typename Simd::scalar_type); + a2 = a2+sizeof(typename Simd::scalar_type); //ypj [debug] }} { int lexa = s1+LLs*site; @@ -702,6 +703,7 @@ void CayleyFermion5D::MooeeInternalZAsm(const FermionField &psi, FermionFi a0 = a0+incr; a1 = a1+incr; a2 = a2+sizeof(typename Simd::scalar_type); + a2 = a2+sizeof(typename Simd::scalar_type); // ypj [debug] }} { int lexa = s1+LLs*site; diff --git a/lib/qcd/action/fermion/DomainWallEOFAFermionvec.cc b/lib/qcd/action/fermion/DomainWallEOFAFermionvec.cc index 68fd4fec..a3c0fb36 100644 --- a/lib/qcd/action/fermion/DomainWallEOFAFermionvec.cc +++ b/lib/qcd/action/fermion/DomainWallEOFAFermionvec.cc @@ -476,6 +476,7 @@ namespace QCD { a0 = a0 + incr; a1 = a1 + incr; a2 = a2 + sizeof(typename Simd::scalar_type); + a2 = a2 + sizeof(typename Simd::scalar_type); // ypj [debug] } } diff --git a/lib/qcd/action/fermion/MobiusEOFAFermionvec.cc b/lib/qcd/action/fermion/MobiusEOFAFermionvec.cc index b7980660..a115969c 100644 --- a/lib/qcd/action/fermion/MobiusEOFAFermionvec.cc +++ b/lib/qcd/action/fermion/MobiusEOFAFermionvec.cc @@ -854,6 +854,7 @@ namespace QCD { a0 = a0 + incr; a1 = a1 + incr; a2 = a2 + sizeof(typename Simd::scalar_type); + a2 = a2 + sizeof(typename Simd::scalar_type); // ypj [debug] } } diff --git a/lib/simd/Grid_avx512.h b/lib/simd/Grid_avx512.h index 4185b7d5..10ea6dc6 100644 --- a/lib/simd/Grid_avx512.h +++ b/lib/simd/Grid_avx512.h @@ -556,7 +556,7 @@ namespace Optimization { v3 = _mm256_add_epi32(v1, v2); v1 = _mm256_hadd_epi32(v3, v3); v2 = _mm256_hadd_epi32(v1, v1); - u1 = _mm256_castsi256_si128(v2); // upper half + u1 = _mm256_castsi256_si128(v2); // upper half ypj[debug] ; was missing u2 = _mm256_extracti128_si256(v2, 1); // lower half ret = _mm_add_epi32(u1, u2); return _mm_cvtsi128_si32(ret); diff --git a/lib/util/Init.cc b/lib/util/Init.cc index fb3d7a1e..4ac9367b 100644 --- a/lib/util/Init.cc +++ b/lib/util/Init.cc @@ -157,6 +157,14 @@ void GridCmdOptionInt(std::string &str,int & val) return; } +// ypj [add] +void GridCmdOptionFloat(std::string &str,double & val) +{ + std::stringstream ss(str); + ss>>val; + return; +} + void GridParseLayout(char **argv,int argc, std::vector &latt, diff --git a/lib/util/Init.h b/lib/util/Init.h index 3da00742..e71c95c6 100644 --- a/lib/util/Init.h +++ b/lib/util/Init.h @@ -54,6 +54,9 @@ namespace Grid { std::string GridCmdVectorIntToString(const std::vector & vec); void GridCmdOptionCSL(std::string str,std::vector & vec); void GridCmdOptionIntVector(std::string &str,std::vector & vec); + // ypj [add] + void GridCmdOptionInt(std::string &str,int & val); + void GridCmdOptionFloat(std::string &str,double & val); void GridParseLayout(char **argv,int argc, diff --git a/tests/lanczos/Test_dwf_block_lanczos.cc b/tests/lanczos/Test_dwf_block_lanczos.cc new file mode 100644 index 00000000..be306846 --- /dev/null +++ b/tests/lanczos/Test_dwf_block_lanczos.cc @@ -0,0 +1,317 @@ + /************************************************************************************* + + Grid physics library, www.github.com/paboyle/Grid + + Source file: ./tests/Test_dwf_block_lanczos.cc + + Copyright (C) 2015 + +Author: Peter Boyle + + 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 + +using namespace std; +using namespace Grid; +using namespace Grid::QCD; + +//typedef typename GparityDomainWallFermionR::FermionField FermionField; +typedef typename ZMobiusFermionR::FermionField FermionField; + +RealD AllZero(RealD x){ return 0.;} + +class CmdJobParams +{ + public: + std::string gaugefile; + + int Ls; + double mass; + double M5; + double mob_b; + std::vector omega; + std::vector boundary_phase; + + LanczosType Impl; + int Nu; + int Nk; + int Np; + int Nm; + int Nstop; + int Ntest; + int MaxIter; + double resid; + + double low; + double high; + int order; + + CmdJobParams() + : gaugefile("Hot"), + Ls(8), mass(0.01), M5(1.8), mob_b(1.5), + Impl(LanczosType::irbl), + Nu(4), Nk(200), Np(200), Nstop(100), Ntest(1), MaxIter(10), resid(1.0e-8), + low(0.2), high(5.5), order(11) + {Nm=Nk+Np;}; + + void Parse(char **argv, int argc); +}; + + +void CmdJobParams::Parse(char **argv,int argc) +{ + std::string arg; + std::vector vi; + double re,im; + int expect, idx; + std::string vstr; + std::ifstream pfile; + + if( GridCmdOptionExists(argv,argv+argc,"--gconf") ){ + gaugefile = GridCmdOptionPayload(argv,argv+argc,"--gconf"); + } + + if( GridCmdOptionExists(argv,argv+argc,"--phase") ){ + arg = GridCmdOptionPayload(argv,argv+argc,"--phase"); + pfile.open(arg); + assert(pfile); + expect = 0; + while( pfile >> vstr ) { + if ( vstr.compare("boundary_phase") == 0 ) { + pfile >> vstr; + GridCmdOptionInt(vstr,idx); + assert(expect==idx); + pfile >> vstr; + GridCmdOptionFloat(vstr,re); + pfile >> vstr; + GridCmdOptionFloat(vstr,im); + boundary_phase.push_back({re,im}); + expect++; + } + } + pfile.close(); + } else { + for (int i=0; i<4; ++i) boundary_phase.push_back({1.,0.}); + } + + if( GridCmdOptionExists(argv,argv+argc,"--omega") ){ + arg = GridCmdOptionPayload(argv,argv+argc,"--omega"); + pfile.open(arg); + assert(pfile); + Ls = 0; + while( pfile >> vstr ) { + if ( vstr.compare("omega") == 0 ) { + pfile >> vstr; + GridCmdOptionInt(vstr,idx); + assert(Ls==idx); + pfile >> vstr; + GridCmdOptionFloat(vstr,re); + pfile >> vstr; + GridCmdOptionFloat(vstr,im); + omega.push_back({re,im}); + Ls++; + } + } + pfile.close(); + } else { + if( GridCmdOptionExists(argv,argv+argc,"--Ls") ){ + arg = GridCmdOptionPayload(argv,argv+argc,"--Ls"); + GridCmdOptionInt(arg,Ls); + } + } + + if( GridCmdOptionExists(argv,argv+argc,"--mass") ){ + arg = GridCmdOptionPayload(argv,argv+argc,"--mass"); + GridCmdOptionFloat(arg,mass); + } + + if( GridCmdOptionExists(argv,argv+argc,"--M5") ){ + arg = GridCmdOptionPayload(argv,argv+argc,"--M5"); + GridCmdOptionFloat(arg,M5); + } + + if( GridCmdOptionExists(argv,argv+argc,"--mob_b") ){ + arg = GridCmdOptionPayload(argv,argv+argc,"--mob_b"); + GridCmdOptionFloat(arg,mob_b); + } + + if( GridCmdOptionExists(argv,argv+argc,"--irbl") ){ + arg = GridCmdOptionPayload(argv,argv+argc,"--irbl"); + GridCmdOptionIntVector(arg,vi); + Nu = vi[0]; + Nk = vi[1]; + Np = vi[2]; + Nstop = vi[3]; + MaxIter = vi[4]; + // ypj[fixme] mode overriding message is needed. + Impl = LanczosType::irbl; + Nm = Nk+Np; + } + + // block Lanczos with explicit extension of its dimensions + if( GridCmdOptionExists(argv,argv+argc,"--rbl") ){ + arg = GridCmdOptionPayload(argv,argv+argc,"--rbl"); + GridCmdOptionIntVector(arg,vi); + Nu = vi[0]; + Nk = vi[1]; + Np = vi[2]; // vector space is enlarged by adding Np vectors + Nstop = vi[3]; + MaxIter = vi[4]; + // ypj[fixme] mode overriding message is needed. + Impl = LanczosType::rbl; + Nm = Nk+Np*MaxIter; + } + + if( GridCmdOptionExists(argv,argv+argc,"--check_int") ){ + arg = GridCmdOptionPayload(argv,argv+argc,"--check_int"); + GridCmdOptionInt(arg,Ntest); + } + + if( GridCmdOptionExists(argv,argv+argc,"--resid") ){ + arg = GridCmdOptionPayload(argv,argv+argc,"--resid"); + GridCmdOptionFloat(arg,resid); + } + + if( GridCmdOptionExists(argv,argv+argc,"--cheby_l") ){ + arg = GridCmdOptionPayload(argv,argv+argc,"--cheby_l"); + GridCmdOptionFloat(arg,low); + } + + if( GridCmdOptionExists(argv,argv+argc,"--cheby_u") ){ + arg = GridCmdOptionPayload(argv,argv+argc,"--cheby_u"); + GridCmdOptionFloat(arg,high); + } + + if( GridCmdOptionExists(argv,argv+argc,"--cheby_n") ){ + arg = GridCmdOptionPayload(argv,argv+argc,"--cheby_n"); + GridCmdOptionInt(arg,order); + } + + if ( CartesianCommunicator::RankWorld() == 0 ) { + std::streamsize ss = std::cout.precision(); + std::cout << GridLogMessage <<" Gauge Configuration "<< gaugefile << '\n'; + std::cout.precision(15); + for ( int i=0; i<4; ++i ) std::cout << GridLogMessage <<" boundary_phase["<< i << "] = " << boundary_phase[i] << '\n'; + std::cout.precision(ss); + std::cout << GridLogMessage <<" Ls "<< Ls << '\n'; + std::cout << GridLogMessage <<" mass "<< mass << '\n'; + std::cout << GridLogMessage <<" M5 "<< M5 << '\n'; + std::cout << GridLogMessage <<" mob_b "<< mob_b << '\n'; + std::cout.precision(15); + for ( int i=0; i seeds4({1,2,3,4}); + std::vector seeds5({5,6,7,8}); + GridParallelRNG RNG5(FGrid); RNG5.SeedFixedIntegers(seeds5); + GridParallelRNG RNG4(UGrid); RNG4.SeedFixedIntegers(seeds4); + GridParallelRNG RNG5rb(FrbGrid); RNG5.SeedFixedIntegers(seeds5); + // ypj [note] why seed RNG5 again? bug? In this case, run with a default seed(). + //GridParallelRNG RNG5rb(FrbGrid); //RNG5rb.SeedFixedIntegers(seeds5); + + LatticeGaugeField Umu(UGrid); + std::vector U(4,UGrid); + + if ( JP.gaugefile.compare("Hot") == 0 ) { + SU3::HotConfiguration(RNG4, Umu); + } else { + FieldMetaData header; + NerscIO::readConfiguration(Umu,header,JP.gaugefile); + // ypj [fixme] additional checks for the loaded configuration? + } + + for(int mu=0;mu(Umu,mu); + } + + RealD mass = JP.mass; + RealD M5 = JP.M5; + +// ypj [fixme] flexible support for a various Fermions +// RealD mob_b = JP.mob_b; // Gparity +// std::vector omega; // ZMobius + +// GparityMobiusFermionD ::ImplParams params; +// std::vector twists({1,1,1,0}); +// params.twists = twists; +// GparityMobiusFermionR Ddwf(Umu,*FGrid,*FrbGrid,*UGrid,*UrbGrid,mass,M5,mob_b,mob_b-1.,params); +// SchurDiagTwoOperator HermOp(Ddwf); + + //WilsonFermionR::ImplParams params; + ZMobiusFermionR::ImplParams params; + params.overlapCommsCompute = true; + params.boundary_phases = JP.boundary_phase; + ZMobiusFermionR Ddwf(Umu,*FGrid,*FrbGrid,*UGrid,*UrbGrid,mass,M5,JP.omega,1.,0.,params); + SchurDiagTwoOperator HermOp(Ddwf); + + //std::vector Coeffs { 0.,-1.}; + // ypj [note] this may not be supported by some compilers + std::vector Coeffs({ 0.,-1.}); + Polynomial PolyX(Coeffs); + //Chebyshev Cheb(0.2,5.5,11); + Chebyshev Cheb(JP.low,JP.high,JP.order); +// Cheb.csv(std::cout); + ImplicitlyRestartedBlockLanczos IRBL(HermOp, + Cheb, + JP.Nstop, JP.Ntest, + JP.Nu, JP.Nk, JP.Nm, + JP.resid, + JP.MaxIter); + + std::vector eval(JP.Nm); + + std::vector src(JP.Nu,FrbGrid); + for ( int i=0; i evec(JP.Nm,FrbGrid); + for(int i=0;i<1;++i){ + std::cout << GridLogMessage << i <<" / "<< JP.Nm <<" grid pointer "<< evec[i]._grid << std::endl; + }; + + int Nconv; + IRBL.calc(eval,evec,src,Nconv,JP.Impl); + + + Grid_finalize(); +} diff --git a/tests/lanczos/Test_dwf_lanczos.cc b/tests/lanczos/Test_dwf_lanczos.cc index b1e205cf..8f00d68b 100644 --- a/tests/lanczos/Test_dwf_lanczos.cc +++ b/tests/lanczos/Test_dwf_lanczos.cc @@ -75,16 +75,16 @@ int main (int argc, char ** argv) SchurDiagTwoOperator HermOp(Ddwf); // SchurDiagMooeeOperator HermOp(Ddwf); - const int Nstop = 30; - const int Nk = 40; - const int Np = 40; + const int Nstop = 120; + const int Nk = 240; + const int Np = 240; const int Nm = Nk+Np; - const int MaxIt= 10000; + const int MaxIt= 10; RealD resid = 1.0e-8; std::vector Coeffs { 0.,-1.}; Polynomial PolyX(Coeffs); - Chebyshev Cheby(0.2,5.,11); + Chebyshev Cheb(0.2,5.5,11); FunctionHermOp OpCheby(Cheby,HermOp); PlainHermOp Op (HermOp); diff --git a/tests/lanczos/Test_wilson_lanczos.cc b/tests/lanczos/Test_wilson_lanczos.cc index eabc86d7..d876490d 100644 --- a/tests/lanczos/Test_wilson_lanczos.cc +++ b/tests/lanczos/Test_wilson_lanczos.cc @@ -58,7 +58,7 @@ int main(int argc, char** argv) { GridParallelRNG RNG4(UGrid); RNG4.SeedFixedIntegers(seeds4); GridParallelRNG RNG5rb(FrbGrid); - RNG5.SeedFixedIntegers(seeds5); + RNG5.SeedFixedIntegers(seeds5); // ypj [note] Does it mean RNG5rb? RNG5rb is never used. LatticeGaugeField Umu(UGrid); SU3::HotConfiguration(RNG4, Umu);