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Added back the convergence test from evecs of tridiagonal matrix. Bugfixes

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This commit is contained in:
Chulwoo Jung 2017-04-15 09:32:15 -04:00
parent f80a847aef
commit a07556dd5f
1 changed files with 46 additions and 9 deletions
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55
lib/algorithms/iterative/ImplicitlyRestartedLanczos.h
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@ -167,7 +167,7 @@ public:
void step(DenseVector<RealD>& lmd,
DenseVector<RealD>& lme,
DenseVector<Field>& evec,
Field& w,int Nm,int k)
Field& w,int Nm,int k, RealD &norm)
{
assert( k< Nm );
@ -183,6 +183,7 @@ public:
RealD beta = normalise(w); // 6. βk+1 := ∥wk∥2. If βk+1 = 0 then Stop
// 7. vk+1 := wk/βk+1
norm=beta;
std::cout<<GridLogMessage << "alpha = " << zalph << " beta "<<beta<<std::endl;
const RealD tiny = 1.0e-20;
@ -549,7 +550,8 @@ until convergence
// Initial Nk steps
OrthoTime=0.;
double t0=usecond()/1e6;
for(int k=0; k<Nk; ++k) step(eval,lme,evec,f,Nm,k);
RealD norm; // sqrt norm of last vector
for(int k=0; k<Nk; ++k) step(eval,lme,evec,f,Nm,k,norm);
double t1=usecond()/1e6;
std::cout<<GridLogMessage <<"IRL::Initial steps: "<<t1-t0<< "seconds"<<std::endl; t0=t1;
std::cout<<GridLogMessage <<"IRL::Initial steps:OrthoTime "<<OrthoTime<< "seconds"<<std::endl;
@ -573,7 +575,7 @@ until convergence
// We loop over
//
OrthoTime=0.;
for(int k=Nk; k<Nm; ++k) step(eval,lme,evec,f,Nm,k);
for(int k=Nk; k<Nm; ++k) step(eval,lme,evec,f,Nm,k,norm);
t1=usecond()/1e6;
std::cout<<GridLogMessage <<"IRL:: "<<Np <<" steps: "<<t1-t0<< "seconds"<<std::endl; t0=t1;
std::cout<<GridLogMessage <<"IRL::Initial steps:OrthoTime "<<OrthoTime<< "seconds"<<std::endl;
@ -592,6 +594,12 @@ until convergence
diagonalize(eval2,lme2,Nm,Nm,Qt,grid);
t1=usecond()/1e6;
std::cout<<GridLogMessage <<"IRL:: diagonalize: "<<t1-t0<< "seconds"<<std::endl; t0=t1;
int prelNconv=0;
for(int k=0; k<Nm; ++k){ //check all k's because QR can permutate eigenvectors
std::cout<<GridLogMessage <<"IRL:: Prel. conv. Test"<<k <<" " << norm<<" "<< fabs(Qt[Nm-1+Nm*k])<<std::endl;
// Arbitrarily add factor of 10 for now, to be conservative
if ( norm*fabs(Qt[Nm-1+Nm*k]) < eresid*10 ) prelNconv++;
}
// sorting
_sort.push(eval2,Nm);
@ -610,6 +618,8 @@ until convergence
}
t1=usecond()/1e6;
std::cout<<GridLogMessage <<"IRL::qr_decomp: "<<t1-t0<< "seconds"<<std::endl; t0=t1;
assert(k2<Nm);
#ifndef MEM_SAVE
@ -642,6 +652,28 @@ PARALLEL_FOR_LOOP
}
for(int j=k1-1; j<k2+1; ++j) evec[j] = B[j];
#else
#if 0
/Christoph's version. Still fails on CJ's workstation for some reason
{
#pragma omp parallel
{
typedef typename Field::vector_object vobj;
std::vector < vobj > B(Nm);
#pragma omp for
for(int ss=0;ss < grid->oSites();ss++){
for(int j=0; j<Nm; ++j) B[j]=0.;
for(int j=k1-1; j<(k2+1); ++j){
for(int k=0; k<Nm ; ++k){
B[j] +=Qt[k+Nm*j] * evec[k]._odata[ss];
}
}
for(int j=k1-1; j<(k2+1); ++j){
evec[j]._odata[ss] = B[j];
}
}
}
}
#else
{
int j_block = 24; int k_block=24;
@ -667,6 +699,7 @@ PARALLEL_FOR_LOOP
}
}
}
#endif
#endif
t1=usecond()/1e6;
std::cout<<GridLogMessage <<"IRL::QR rotation: "<<t1-t0<< "seconds"<<std::endl; t0=t1;
@ -756,9 +789,12 @@ PARALLEL_FOR_LOOP
} // i-loop end
// std::cout<<GridLogMessage << std::resetiosflags(std::ios_base::scientific);
#else
if(prelNconv < Nstop)
std::cout<<GridLogMessage << "Prel. Convergence test ("<<prelNconv<<") failed, skipping a real(and expnesive) one" <<std::endl;
else
{
Field B(grid);
Nconv = 0;
for(int j = 0; j<Nk; ++j){
B=0.;
B.checkerboard = evec[0].checkerboard;
@ -807,8 +843,8 @@ PARALLEL_FOR_LOOP
converged:
// Sorting
eval.resize(Nconv);
evec.resize(Nconv,grid);
#ifndef MEM_SAVE
evec.resize(Nconv,grid);
for(int i=0; i<Nconv; ++i){
eval[i] = eval2[Iconv[i]];
evec[i] = B[Iconv[i]];
@ -830,15 +866,16 @@ PARALLEL_FOR_LOOP
assert( (Nm*thr)<grid->oSites());
for(int j=0; j<Nconv; ++j) B._odata[Iconv[j]+Nm*me]=0.;
for(int j=0; j<Nconv; ++j){
for(int k=0; k<Nm ; ++k){
for(int k=0; k<Nk ; ++k){
B._odata[Iconv[j]+Nm*me] +=Qt[k+Nm*Iconv[j]] * evec[k]._odata[ss];
}
}
for(int j=0; j<Nconv; ++j){
evec[Iconv[j]]._odata[ss] = B._odata[Iconv[j]+Nm*me];
evec[j]._odata[ss] = B._odata[Iconv[j]+Nm*me];
}
}
}
evec.resize(Nconv,grid);
#endif
_sort.push(eval,evec,Nconv);
@ -1169,7 +1206,7 @@ PARALLEL_FOR_LOOP
for(int i = SS - lock_num - 1; i >= SS - Nk && i >= 0; --i){
RealD diff = 0;
diff = abs( tevecs[i][Nm - 1 - lock_num] ) * resid_nrm;
diff = fabs( tevecs[i][Nm - 1 - lock_num] ) * resid_nrm;
std::cout<<GridLogMessage << "residual estimate " << SS-1-i << " " << diff << " of (" << tevals[i] << ")" << std::endl;
@ -1232,7 +1269,7 @@ PARALLEL_FOR_LOOP
Q[i][0]=y[i];
}
T sig = conj(y[0])*y[0];
T tau0 = abs(sqrt(sig));
T tau0 = fabs(sqrt(sig));
for(int j=1;j<N;j++){
sig += conj(y[j])*y[j];