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MEM_SAVE in Lanczos seems to be working, but not pretty
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Chulwoo Jung
parent
d0c2c9c71f
commit
9e48b7dfda
@ -494,6 +494,10 @@ repeat
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→AVK =VKHK +fKe†K † Extend to an M = K + P step factorization AVM = VMHM + fMeM
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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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@ -516,11 +520,13 @@ 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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DenseVector<Field> B(Nm,grid); // waste of space replicating
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// DenseVector<Field> Btemp(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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@ -603,6 +609,9 @@ until convergence
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}
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t1=usecond()/1e6;
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std::cout<<GridLogMessage <<"IRL::qr_decomp: "<<t1-t0<< "seconds"<<std::endl; t0=t1;
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assert(k2<Nm);
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#ifndef MEM_SAVE
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if (0) {
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for(int i=0; i<(Nk+1); ++i) B[i] = 0.0;
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@ -615,28 +624,57 @@ if (0) {
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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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if (1) {
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#ifndef MEM_SAVE
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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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}
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int j_block = 24; int k_block=24;
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PARALLEL_FOR_LOOP
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for(int ss=0;ss < grid->oSites();ss++){
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for(int jj=k1-1; jj<k2+1; jj += j_block)
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for(int kk=0; kk<Nm; kk += k_block)
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for(int j=jj; (j<(k2+1)) && j<(jj+j_block); ++j){
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for(int k=kk; (k<Nm) && k<(kk+k_block) ; ++k){
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B[j]._odata[ss] +=Qt[k+Nm*j] * evec[k]._odata[ss];
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for(int jj=k1-1; jj<k2+1; jj += j_block)
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for(int kk=0; kk<Nm; kk += k_block)
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for(int j=jj; (j<(k2+1)) && j<(jj+j_block); ++j){
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for(int k=kk; (k<Nm) && k<(kk+k_block) ; ++k){
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B[j]._odata[ss] +=Qt[k+Nm*j] * evec[k]._odata[ss];
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}
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}
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}
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}
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}
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t1=usecond()/1e6;
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std::cout<<GridLogMessage <<"IRL::QR rotation: "<<t1-t0<< "seconds"<<std::endl; t0=t1;
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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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int j_block = 24; int k_block=24;
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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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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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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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t1=usecond()/1e6;
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std::cout<<GridLogMessage <<"IRL::QR rotation: "<<t1-t0<< "seconds"<<std::endl; t0=t1;
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// Compressed vector f and beta(k2)
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f *= Qt[Nm-1+Nm*(k2-1)];
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@ -659,6 +697,7 @@ 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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if (0) {
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for(int k = 0; k<Nk; ++k) B[k]=0.0;
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@ -721,6 +760,44 @@ 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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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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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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// 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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#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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@ -739,10 +816,39 @@ 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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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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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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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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}
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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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}
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}
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}
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#endif
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_sort.push(eval,evec,Nconv);
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std::cout<<GridLogMessage << "\n Converged\n Summary :\n";
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