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Working version of Lanczos without the extra copy.
This commit is contained in:
Chulwoo Jung
parent
9e48b7dfda
commit
93cb5d4e97
@ -8,6 +8,7 @@
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Author: Peter Boyle <paboyle@ph.ed.ac.uk>
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Author: paboyle <paboyle@ph.ed.ac.uk>
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Author: Chulwoo Jung <chulwoo@bnl.gov>
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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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@ -45,6 +46,9 @@ void LAPACK_dstegr(char *jobz, char *range, int *n, double *d, double *e,
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#include "DenseMatrix.h"
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#include "EigenSort.h"
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// eliminate temorary vector in calc()
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#define MEM_SAVE
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namespace Grid {
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/////////////////////////////////////////////////////////////
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@ -496,8 +500,6 @@ until convergence
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*/
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// alternate implementation for minimizing memory usage. May affect the performance
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#define MEM_SAVE
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#undef MEM_SAVE2
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void calc(DenseVector<RealD>& eval,
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DenseVector<Field>& evec,
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const Field& src,
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@ -520,13 +522,12 @@ until convergence
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DenseVector<RealD> Qt(Nm*Nm);
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DenseVector<int> Iconv(Nm);
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#if (!defined MEM_SAVE ) || (!defined MEM_SAVE2)
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#if (!defined MEM_SAVE )
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DenseVector<Field> B(Nm,grid); // waste of space replicating
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#endif
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Field f(grid);
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Field v(grid);
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// auto B2 = evec[0]._odata[0];
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int k1 = 1;
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int k2 = Nk;
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@ -612,7 +613,7 @@ until convergence
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assert(k2<Nm);
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#ifndef MEM_SAVE
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if (0) {
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if (0) { // old implementation without blocking
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for(int i=0; i<(Nk+1); ++i) B[i] = 0.0;
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for(int j=k1-1; j<k2+1; ++j){
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@ -621,13 +622,8 @@ if (0) {
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B[j] += Qt[k+Nm*j] * evec[k];
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}
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}
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t1=usecond()/1e6;
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std::cout<<GridLogMessage <<"IRL::QR Rotate: "<<t1-t0<< "seconds"<<std::endl; t0=t1;
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}
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#endif
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#ifndef MEM_SAVE
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{
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}
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{
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for(int i=0; i<(Nk+1); ++i) {
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B[i] = 0.0;
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B[i].checkerboard = evec[0].checkerboard;
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@ -643,7 +639,7 @@ PARALLEL_FOR_LOOP
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}
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}
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}
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}
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}
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for(int j=k1-1; j<k2+1; ++j) evec[j] = B[j];
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#else
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{
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@ -651,25 +647,24 @@ PARALLEL_FOR_LOOP
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assert(k2<Nm);
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assert(k1>0);
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// DenseVector < decltype(B2) > B(Nm);
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// std::vector < decltype( B2 ) > B(Nm*thr,B2);
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Field B(grid);
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PARALLEL_FOR_LOOP
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for(int ss=0;ss < grid->oSites();ss++){
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// auto B2 = evec[0]._odata[0];
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// std::vector < decltype( B2 ) > B(Nm*thr,B2);
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int thr=GridThread::GetThreads();
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int me = GridThread::ThreadBarrier();
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printf("thr=%d ss=%d me=%d\n",thr,ss,me);fflush(stdout);
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// printf("thr=%d ss=%d me=%d\n",thr,ss,me);fflush(stdout);
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assert(Nm*thr<grid->oSites());
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for(int j=0; j<Nm; ++j) B._odata[j+Nm*me]=0.;
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for(int j=k1-1; j<(k2+1); ++j){
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for(int k=0; k<Nm ; ++k){
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B._odata[j+Nm*me] +=Qt[k+Nm*j] * evec[k]._odata[ss];
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}
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}
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#if 1
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for(int j=k1-1; j<(k2+1); ++j){
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evec[j]._odata[ss] = B._odata[j+Nm*me];
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}
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#endif
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}
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}
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#endif
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@ -697,7 +692,7 @@ PARALLEL_FOR_LOOP
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t1=usecond()/1e6;
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std::cout<<GridLogMessage <<"IRL::diagonalize: "<<t1-t0<< "seconds"<<std::endl; t0=t1;
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#ifndef MEM_SAVE2
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#ifndef MEM_SAVE
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if (0) {
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for(int k = 0; k<Nk; ++k) B[k]=0.0;
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@ -761,42 +756,39 @@ PARALLEL_FOR_LOOP
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} // i-loop end
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// std::cout<<GridLogMessage << std::resetiosflags(std::ios_base::scientific);
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#else
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{
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{
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Field B(grid);
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for(int j = 0; j<Nk; ++j){
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B=0.;
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B.checkerboard = evec[0].checkerboard;
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for(int k = 0; k<Nk; ++k){
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B += Qt[k+j*Nm] * evec[k];
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// B[Iconv[j]] +=Qt[k+Nm*Iconv[j]] * evec[k]._odata[ss];
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}
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std::cout<<GridLogMessage << "norm(B["<<j<<"])="<<norm2(B)<<std::endl;
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// _poly(_Linop,B,v);
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_Linop.HermOp(B,v);
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Field B(grid);
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for(int j = 0; j<Nk; ++j){
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B=0.;
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B.checkerboard = evec[0].checkerboard;
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for(int k = 0; k<Nk; ++k){
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B += Qt[k+j*Nm] * evec[k];
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}
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std::cout<<GridLogMessage << "norm(B["<<j<<"])="<<norm2(B)<<std::endl;
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// _poly(_Linop,B,v);
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_Linop.HermOp(B,v);
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RealD vnum = real(innerProduct(B,v)); // HermOp.
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RealD vden = norm2(B);
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RealD vv0 = norm2(v);
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eval2[j] = vnum/vden;
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v -= eval2[j]*B;
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RealD vv = norm2(v);
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RealD vnum = real(innerProduct(B,v)); // HermOp.
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RealD vden = norm2(B);
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RealD vv0 = norm2(v);
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eval2[j] = vnum/vden;
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v -= eval2[j]*B;
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RealD vv = norm2(v);
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std::cout.precision(13);
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std::cout<<GridLogMessage << "[" << std::setw(3)<< std::setiosflags(std::ios_base::right) <<j<<"] ";
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std::cout<<"eval = "<<std::setw(25)<< std::setiosflags(std::ios_base::left)<< eval2[j];
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std::cout<<"|H B[i] - eval[i]B[i]|^2 "<< std::setw(25)<< std::setiosflags(std::ios_base::right)<< vv;
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std::cout<<" "<< vnum/(sqrt(vden)*sqrt(vv0)) << std::endl;
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std::cout.precision(13);
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std::cout<<GridLogMessage << "[" << std::setw(3)<< std::setiosflags(std::ios_base::right) <<j<<"] ";
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std::cout<<"eval = "<<std::setw(25)<< std::setiosflags(std::ios_base::left)<< eval2[j];
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std::cout<<"|H B[i] - eval[i]B[i]|^2 "<< std::setw(25)<< std::setiosflags(std::ios_base::right)<< vv;
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std::cout<<" "<< vnum/(sqrt(vden)*sqrt(vv0)) << std::endl;
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// change the criteria as evals are supposed to be sorted, all evals smaller(larger) than Nstop should have converged
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if((vv<eresid*eresid) && (j == Nconv) ){
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Iconv[Nconv] = j;
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++Nconv;
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}
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}
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// t1=usecond()/1e6;
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// std::cout<<GridLogMessage <<"IRL::Convergence rotation: "<<t1-t0<< "seconds"<<std::endl; t0=t1;
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}
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// change the criteria as evals are supposed to be sorted, all evals smaller(larger) than Nstop should have converged
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if((vv<eresid*eresid) && (j == Nconv) ){
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Iconv[Nconv] = j;
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++Nconv;
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}
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}
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}
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#endif
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t1=usecond()/1e6;
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std::cout<<GridLogMessage <<"IRL::convergence testing: "<<t1-t0<< "seconds"<<std::endl; t0=t1;
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@ -816,35 +808,34 @@ PARALLEL_FOR_LOOP
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// Sorting
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eval.resize(Nconv);
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evec.resize(Nconv,grid);
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#ifndef MEM_SAVE2
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#ifndef MEM_SAVE
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for(int i=0; i<Nconv; ++i){
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eval[i] = eval2[Iconv[i]];
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evec[i] = B[Iconv[i]];
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}
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#else
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#if 0
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Field B(grid);
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int thr=GridThread::GetThreads();
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int me = GridThread::ThreadBarrier();
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printf("thr=%d ss=%d me=%d\n",thr,ss,me);fflush(stdout);
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#endif
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{
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for(int i=0; i<Nconv; ++i)
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eval[i] = eval2[Iconv[i]];
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// int thr=GridThread::GetThreads();
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// printf("thr=%d\n",thr);
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Field B(grid);
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PARALLEL_FOR_LOOP
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for(int ss=0;ss < grid->oSites();ss++){
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auto B2 = evec[0]._odata[0];
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std::vector < decltype( B2 ) > B(Nm,B2);
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for(int j=0; j<Nconv; ++j) B[Iconv[j]]=0.;
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int thr=GridThread::GetThreads();
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int me = GridThread::ThreadBarrier();
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// printf("thr=%d ss=%d me=%d\n",thr,ss,me);fflush(stdout);
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// auto B2 = evec[0]._odata[0];
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// std::vector < decltype( B2 ) > B(Nm,B2);
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assert( (Nm*thr)<grid->oSites());
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for(int j=0; j<Nconv; ++j) B._odata[Iconv[j]+Nm*me]=0.;
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for(int j=0; j<Nconv; ++j){
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for(int k=0; k<Nm ; ++k){
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B[Iconv[j]] +=Qt[k+Nm*Iconv[j]] * evec[k]._odata[ss];
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B._odata[Iconv[j]+Nm*me] +=Qt[k+Nm*Iconv[j]] * evec[k]._odata[ss];
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}
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}
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for(int j=0; j<Nconv; ++j){
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evec[Iconv[j]]._odata[ss] = B[Iconv[j]];
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evec[Iconv[j]]._odata[ss] = B._odata[Iconv[j]+Nm*me];
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}
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}
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}
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