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Final version prior to reunification

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paboyle
2017-10-13 13:22:26 +01:00
parent cb9ff20249
commit 9aff354ab5
1 changed files with 21 additions and 24 deletions
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41
lib/algorithms/iterative/BlockImplicitlyRestartedLanczos/BlockImplicitlyRestartedLanczos.h
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@@ -35,9 +35,6 @@ Author: Christoph Lehner <clehner@bnl.gov>
//#include <zlib.h> //#include <zlib.h>
#include <sys/stat.h> #include <sys/stat.h>
#include <Grid/algorithms/iterative/BlockImplicitlyRestartedLanczos/BlockedGrid.h>
#include <Grid/algorithms/iterative/BlockImplicitlyRestartedLanczos/FieldBasisVector.h>
#include <Grid/algorithms/iterative/BlockImplicitlyRestartedLanczos/BlockProjector.h>
namespace Grid { namespace Grid {
@@ -178,7 +175,7 @@ class BlockImplicitlyRestartedLanczos {
//////////////////////////////// ////////////////////////////////
// Embedded objects // Embedded objects
//////////////////////////////// ////////////////////////////////
SortEigen<Field> _sort; // SortEigen<Field> _sort;
LinearFunction<Field> &_HermOp; LinearFunction<Field> &_HermOp;
LinearFunction<Field> &_HermOpTest; LinearFunction<Field> &_HermOpTest;
///////////////////////// /////////////////////////
@@ -212,11 +209,10 @@ public:
return nn; return nn;
} }
void orthogonalize(Field& w, BasisFieldVector<Field>& evec,int k) void orthogonalize(Field& w, std::vector<Field>& evec,int k)
{ {
OrthoTime-=usecond()/1e6; OrthoTime-=usecond()/1e6;
//evec.orthogonalize(w,k); basisOrthogonalize(evec,w,k);
basisOrthogonalize(evec._v,w,k);
normalise(w); normalise(w);
OrthoTime+=usecond()/1e6; OrthoTime+=usecond()/1e6;
} }
@@ -238,7 +234,7 @@ repeat
→AVK =VKHK +fKe†K † Extend to an M = K + P step factorization AVM = VMHM + fMeM →AVK =VKHK +fKe†K † Extend to an M = K + P step factorization AVM = VMHM + fMeM
until convergence until convergence
*/ */
void calc(std::vector<RealD>& eval, BasisFieldVector<Field>& evec, const Field& src, int& Nconv, bool reverse, int SkipTest) void calc(std::vector<RealD>& eval, std::vector<Field>& evec, const Field& src, int& Nconv, bool reverse, int SkipTest)
{ {
GridBase *grid = src._grid; GridBase *grid = src._grid;
assert(grid == evec[0]._grid); assert(grid == evec[0]._grid);
@@ -341,7 +337,8 @@ until convergence
////////////////////////////////// //////////////////////////////////
eval2_copy = eval2; eval2_copy = eval2;
_sort.push(eval2,Nm); // _sort.push(eval2,Nm);
std::partial_sort(eval2.begin(),eval2.begin()+Nm,eval2.end());
std::cout<<GridLogIRL <<" evals sorted "<<std::endl; std::cout<<GridLogIRL <<" evals sorted "<<std::endl;
for(int ip=0; ip<k2; ++ip) std::cout<<GridLogIRL << "eval "<< ip << " "<< eval2[ip] << std::endl; for(int ip=0; ip<k2; ++ip) std::cout<<GridLogIRL << "eval "<< ip << " "<< eval2[ip] << std::endl;
@@ -359,8 +356,7 @@ until convergence
assert(k2<Nm); assert(k2<Nm);
assert(k2<Nm); assert(k2<Nm);
assert(k1>0); assert(k1>0);
// evec.rotate(Qt,k1-1,k2+1,0,Nm,Nm); /// big constraint on the basis basisRotate(evec,Qt,k1-1,k2+1,0,Nm,Nm); /// big constraint on the basis
basisRotate(evec._v,Qt,k1-1,k2+1,0,Nm,Nm); /// big constraint on the basis
std::cout<<GridLogIRL <<"QR rotation done "<<std::endl; std::cout<<GridLogIRL <<"QR rotation done "<<std::endl;
@@ -396,8 +392,7 @@ until convergence
Field ev0_orig(grid); Field ev0_orig(grid);
ev0_orig = evec[0]; ev0_orig = evec[0];
// evec.rotate(Qt,0,Nk,0,Nk,Nm); basisRotate(evec,Qt,0,Nk,0,Nk,Nm);
basisRotate(evec._v,Qt,0,Nk,0,Nk,Nm);
{ {
std::cout << GridLogIRL << "Test convergence" << std::endl; std::cout << GridLogIRL << "Test convergence" << std::endl;
@@ -436,7 +431,6 @@ until convergence
goto converged; goto converged;
} }
std::cout << GridLogIRL << "Convergence testing: Rotating back" << std::endl;
//B[j] +=Qt[k+_Nm*j] * _v[k]._odata[ss]; //B[j] +=Qt[k+_Nm*j] * _v[k]._odata[ss];
{ {
Eigen::MatrixXd qm = Eigen::MatrixXd::Zero(Nk,Nk); // Restrict Qt to Nk x Nk Eigen::MatrixXd qm = Eigen::MatrixXd::Zero(Nk,Nk); // Restrict Qt to Nk x Nk
@@ -445,16 +439,17 @@ until convergence
qm(j,k) = Qt(j,k); qm(j,k) = Qt(j,k);
Eigen::MatrixXd qmI = qm.inverse(); Eigen::MatrixXd qmI = qm.inverse();
std::cout << GridLogIRL << "Inverted ("<<Nk<<"x"<<Nk<<") matrix " << std::endl;
RealD res_check_rotate_inverse = (qm*qmI - Eigen::MatrixXd::Identity(Nk,Nk)).norm(); // sqrt( |X|^2 ) RealD res_check_rotate_inverse = (qm*qmI - Eigen::MatrixXd::Identity(Nk,Nk)).norm(); // sqrt( |X|^2 )
std::cout << GridLogIRL << "\tInverted ("<<Nk<<"x"<<Nk<<") Qt matrix " << " error = " << res_check_rotate_inverse <<std::endl;
assert(res_check_rotate_inverse < 1e-7); assert(res_check_rotate_inverse < 1e-7);
//evec.rotate(qmI,0,Nk,0,Nk,Nm);
basisRotate(evec._v,qmI,0,Nk,0,Nk,Nm); basisRotate(evec,qmI,0,Nk,0,Nk,Nm);
std::cout << GridLogIRL << "\t Basis rotation done "<<std::endl;
axpy(ev0_orig,-1.0,evec[0],ev0_orig); axpy(ev0_orig,-1.0,evec[0],ev0_orig);
std::cout << GridLogIRL << "Rotation done ; error = " << res_check_rotate_inverse << ");"<<std::endl;
std::cout << GridLogIRL << " | evec[0] - evec[0]_orig | = " << ::sqrt(norm2(ev0_orig)) << std::endl; std::cout << GridLogIRL << " | evec[0] - evec[0]_orig | = " << ::sqrt(norm2(ev0_orig)) << std::endl;
} }
} }
@@ -472,14 +467,16 @@ until convergence
eval = eval2; eval = eval2;
} else { } else {
// test quickly // test quickly
// PAB -- what precisely does this test?
for (int j=0;j<Nstop;j+=SkipTest) { for (int j=0;j<Nstop;j+=SkipTest) {
std::cout<<GridLogIRL << "Eigenvalue[" << j << "] = " << eval2[j] << " (" << eval2_copy[j] << ")" << std::endl; std::cout<<GridLogIRL << "Eigenvalue[" << j << "] = " << eval2[j] << " (" << eval2_copy[j] << ")" << std::endl;
} }
eval2_copy.resize(eval2.size()); eval2_copy.resize(eval2.size());
eval = eval2_copy; eval = eval2_copy;
} }
// evec.sortInPlace(eval,reverse);
basisSortInPlace(evec._v,eval,reverse); basisSortInPlace(evec,eval,reverse);
// test // PAB -- what does this test ? // test // PAB -- what does this test ?
for (int j=0;j<Nstop;j++) { for (int j=0;j<Nstop;j++) {
std::cout<<GridLogIRL << " |e[" << j << "]|^2 = " << norm2(evec[j]) << std::endl; std::cout<<GridLogIRL << " |e[" << j << "]|^2 = " << norm2(evec[j]) << std::endl;
@@ -507,7 +504,7 @@ until convergence
*/ */
void step(std::vector<RealD>& lmd, void step(std::vector<RealD>& lmd,
std::vector<RealD>& lme, std::vector<RealD>& lme,
BasisFieldVector<Field>& evec, std::vector<Field>& evec,
Field& w,int Nm,int k) Field& w,int Nm,int k)
{ {
const RealD tiny = 1.0e-20; const RealD tiny = 1.0e-20;