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Merge branch 'develop' of https://github.com/paboyle/Grid into develop

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This commit is contained in:
Peter Boyle
2024-08-20 14:30:52 +00:00
parent f8f408e7a9 b461184797
commit a3322b470f
16 changed files with 306 additions and 48 deletions
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3
Grid/algorithms/blas/BatchedBlas.h
View File

@@ -270,7 +270,6 @@ public:
assert(err==CUBLAS_STATUS_SUCCESS);
#endif
#ifdef GRID_SYCL
// std::cerr << " Calling SYCL batched ZGEMM "<<std::endl;
int64_t m64=m;
int64_t n64=n;
int64_t k64=k;
@@ -506,7 +505,7 @@ public:
(ComplexF *) &beta_p[0],
(ComplexF **)&Cmn[0], (const int64_t *)&ldc64,
(int64_t)1,&batchCount64,std::vector<sycl::event>());
synchronise();
synchronise();
#endif
#if !defined(GRID_SYCL) && !defined(GRID_CUDA) && !defined(GRID_HIP)
// Need a default/reference implementation; use Eigen

58
Grid/algorithms/iterative/ImplicitlyRestartedBlockLanczosCoarse.h
View File

@@ -279,11 +279,11 @@ public:
Qt = Eigen::MatrixXcd::Identity(Nm,Nm);
diagonalize(eval2,lmd2,lme2,Nu,Nm,Nm,Qt,grid);
_sort.push(eval2,Nm);
// Glog << "#Ritz value before shift: "<< std::endl;
Glog << "#Ritz value before shift: "<< std::endl;
for(int i=0; i<Nm; ++i){
// std::cout.precision(13);
// std::cout << "[" << std::setw(4)<< std::setiosflags(std::ios_base::right) <<i<<"] ";
// std::cout << "Rval = "<<std::setw(20)<< std::setiosflags(std::ios_base::left)<< eval2[i] << std::endl;
std::cout.precision(13);
std::cout << "[" << std::setw(4)<< std::setiosflags(std::ios_base::right) <<i<<"] ";
std::cout << "Rval = "<<std::setw(20)<< std::setiosflags(std::ios_base::left)<< eval2[i] << std::endl;
}
//----------------------------------------------------------------------
@@ -297,7 +297,8 @@ public:
unpackHermitBlockTriDiagMatToEigen(lmd,lme,Nu,Nblock_m,Nm,Nm,BTDM);
for(int ip=Nk; ip<Nm; ++ip){
for(int ip=Nk; ip<Nm; ++ip){
Glog << " ip "<<ip<<" / "<<Nm<<std::endl;
shiftedQRDecompEigen(BTDM,Nu,Nm,eval2[ip],Q);
}
@@ -325,7 +326,7 @@ public:
Qt = Eigen::MatrixXcd::Identity(Nm,Nm);
diagonalize(eval2,lmd2,lme2,Nu,Nk,Nm,Qt,grid);
_sort.push(eval2,Nk);
// Glog << "#Ritz value after shift: "<< std::endl;
Glog << "#Ritz value after shift: "<< std::endl;
for(int i=0; i<Nk; ++i){
// std::cout.precision(13);
// std::cout << "[" << std::setw(4)<< std::setiosflags(std::ios_base::right) <<i<<"] ";
@@ -467,10 +468,10 @@ public:
// set initial vector
for (int i=0; i<Nu; ++i) {
// Glog << "norm2(src[" << i << "])= "<< norm2(src[i]) << std::endl;
Glog << "norm2(src[" << i << "])= "<< norm2(src[i]) << std::endl;
evec[i] = src[i];
orthogonalize(evec[i],evec,i);
// Glog << "norm2(evec[" << i << "])= "<< norm2(evec[i]) << std::endl;
Glog << "norm2(evec[" << i << "])= "<< norm2(evec[i]) << std::endl;
}
// exit(-43);
@@ -506,11 +507,11 @@ public:
Qt = Eigen::MatrixXcd::Identity(Nr,Nr);
diagonalize(eval2,lmd2,lme2,Nu,Nr,Nr,Qt,grid);
_sort.push(eval2,Nr);
// Glog << "#Ritz value: "<< std::endl;
Glog << "#Ritz value: "<< std::endl;
for(int i=0; i<Nr; ++i){
// std::cout.precision(13);
// std::cout << "[" << std::setw(4)<< std::setiosflags(std::ios_base::right) <<i<<"] ";
// std::cout << "Rval = "<<std::setw(20)<< std::setiosflags(std::ios_base::left)<< eval2[i] << std::endl;
std::cout.precision(13);
std::cout << "[" << std::setw(4)<< std::setiosflags(std::ios_base::right) <<i<<"] ";
std::cout << "Rval = "<<std::setw(20)<< std::setiosflags(std::ios_base::left)<< eval2[i] << std::endl;
}
// Convergence test
@@ -570,6 +571,7 @@ public:
Glog << fname + " NOT converged ; Summary :\n";
} else {
Glog << fname + " CONVERGED ; Summary :\n";
Nstop = Nconv_guess; // Just take them all
// Sort convered eigenpairs.
std::vector<Field> Btmp(Nstop,grid); // waste of space replicating
@@ -642,7 +644,7 @@ private:
// for (int u=0; u<mrhs; ++u) Glog << " out["<<u<<"] = "<<norm2(out[u])<<std::endl;
k_start +=mrhs;
}
// Glog << "LinAlg "<< std::endl;
Glog << "LinAlg "<< std::endl;
if (b>0) {
for (int u=0; u<Nu; ++u) {
@@ -676,7 +678,7 @@ private:
}
w_copy[u] = w[u];
}
// Glog << "LinAlg done"<< std::endl;
Glog << "LinAlg done"<< std::endl;
// In block version, the steps 6 and 7 in Lanczos construction is
// replaced by the QR decomposition of new basis block.
@@ -689,15 +691,15 @@ private:
}
// re-orthogonalization for numerical stability
// Glog << "Gram Schmidt"<< std::endl;
Glog << "Gram Schmidt"<< std::endl;
orthogonalize(w,Nu,evec,R);
// QR part
for (int u=1; u<Nu; ++u) {
orthogonalize(w[u],w,u);
}
// Glog << "Gram Schmidt done "<< std::endl;
Glog << "Gram Schmidt done "<< std::endl;
// Glog << "LinAlg "<< std::endl;
Glog << "LinAlg "<< std::endl;
for (int u=0; u<Nu; ++u) {
//for (int v=0; v<Nu; ++v) {
for (int v=u; v<Nu; ++v) {
@@ -714,7 +716,7 @@ private:
// Glog <<" In block "<< b << "," <<" beta[" << u << "," << k-L << "] = " << lme[u][k] << std::endl;
}
}
// Glog << "LinAlg done "<< std::endl;
Glog << "LinAlg done "<< std::endl;
if (b < Nm/Nu-1) {
for (int u=0; u<Nu; ++u) {
@@ -779,7 +781,7 @@ private:
for ( int u=0; u<Nu; ++u ) {
for (int k=0; k<Nk; ++k ) {
// Glog << "lmd "<<u<<" "<<k<<" "<<lmd[u][k] -conjugate(lmd[u][k])<<std::endl;
// Glog << "lmd "<<u<<" "<<k<<" "<<lmd[u][k] -conjugate(lmd[u][k])<<std::endl;
BlockTriDiag(k,u+(k/Nu)*Nu) = lmd[u][k];
}
}
@@ -933,7 +935,7 @@ if (1){
int Nu, int Nb, int Nk, int Nm,
Eigen::MatrixXcd& M)
{
//Glog << "unpackHermitBlockTriDiagMatToEigen() begin" << '\n';
Glog << "unpackHermitBlockTriDiagMatToEigen() begin" << '\n';
assert( Nk%Nu == 0 && Nm%Nu == 0 );
assert( Nk <= Nm );
M = Eigen::MatrixXcd::Zero(Nk,Nk);
@@ -951,7 +953,7 @@ if (1){
M(u+(k/Nu)*Nu,k-Nu) = lme[u][k-Nu];
}
}
//Glog << "unpackHermitBlockTriDiagMatToEigen() end" << endl;
Glog << "unpackHermitBlockTriDiagMatToEigen() end" << std::endl;
}
@@ -961,7 +963,7 @@ if (1){
int Nu, int Nb, int Nk, int Nm,
Eigen::MatrixXcd& M)
{
//Glog << "packHermitBlockTriDiagMatfromEigen() begin" << '\n';
Glog << "packHermitBlockTriDiagMatfromEigen() begin" << '\n';
assert( Nk%Nu == 0 && Nm%Nu == 0 );
assert( Nk <= Nm );
@@ -977,7 +979,7 @@ if (1){
lme[u][k-Nu] = M(u+(k/Nu)*Nu,k-Nu);
}
}
//Glog << "packHermitBlockTriDiagMatfromEigen() end" << endl;
Glog << "packHermitBlockTriDiagMatfromEigen() end" <<std::endl;
}
@@ -986,7 +988,7 @@ if (1){
RealD Dsh,
Eigen::MatrixXcd& Qprod)
{
//Glog << "shiftedQRDecompEigen() begin" << '\n';
Glog << "shiftedQRDecompEigen() begin" << '\n';
Eigen::MatrixXcd Q = Eigen::MatrixXcd::Zero(Nm,Nm);
Eigen::MatrixXcd R = Eigen::MatrixXcd::Zero(Nm,Nm);
Eigen::MatrixXcd Mtmp = Eigen::MatrixXcd::Zero(Nm,Nm);
@@ -1002,6 +1004,7 @@ if (1){
// lower triangular part used to represent series
// of Q sequence.
Glog << "shiftedQRDecompEigen() Housholder & QR" << '\n';
// equivalent operation of Qprod *= Q
//M = Eigen::MatrixXcd::Zero(Nm,Nm);
@@ -1022,6 +1025,7 @@ if (1){
Mtmp = Eigen::MatrixXcd::Zero(Nm,Nm);
Glog << "shiftedQRDecompEigen() Mtmp create" << '\n';
for (int i=0; i<Nm; ++i) {
for (int j=0; j<Nm-(Nu+1); ++j) {
for (int k=0; k<Nu+1+j; ++k) {
@@ -1029,6 +1033,7 @@ if (1){
}
}
}
Glog << "shiftedQRDecompEigen() Mtmp loop1" << '\n';
for (int i=0; i<Nm; ++i) {
for (int j=Nm-(Nu+1); j<Nm; ++j) {
for (int k=0; k<Nm; ++k) {
@@ -1036,6 +1041,7 @@ if (1){
}
}
}
Glog << "shiftedQRDecompEigen() Mtmp loop2" << '\n';
//static int ntimes = 2;
//for (int j=0; j<Nm-(ntimes*Nu); ++j) {
@@ -1061,11 +1067,13 @@ if (1){
Mtmp(j,i) = conj(Mtmp(i,j));
}
}
Glog << "shiftedQRDecompEigen() Mtmp loop3" << '\n';
for (int i=0; i<Nm; ++i) {
Mtmp(i,i) = real(Mtmp(i,i)) + Dsh;
}
Glog << "shiftedQRDecompEigen() Mtmp loop4" << '\n';
M = Mtmp;
//M = Q.adjoint()*(M*Q);
@@ -1077,7 +1085,7 @@ if (1){
// }
//}
//Glog << "shiftedQRDecompEigen() end" << endl;
Glog << "shiftedQRDecompEigen() end" <<std::endl;
}
void exampleQRDecompEigen(void)

81
Grid/algorithms/iterative/SchurRedBlack.h
View File

@@ -499,6 +499,87 @@ namespace Grid {
}
};
///////////////////////////////////////////////////////////////////////////////////////////////////////
// Site diagonal is identity, left preconditioned by Mee^inv
// ( 1 - Mee^inv Meo Moo^inv Moe ) phi = Mee_inv ( Mee - Meo Moo^inv Moe Mee^inv ) phi = Mee_inv eta
//
// Solve:
// ( 1 - Mee^inv Meo Moo^inv Moe )^dag ( 1 - Mee^inv Meo Moo^inv Moe ) phi = ( 1 - Mee^inv Meo Moo^inv Moe )^dag Mee_inv eta
//
// Old notation e<->o
//
// Left precon by Moo^-1
// b) (Doo^{dag} M_oo^-dag) (Moo^-1 Doo) psi_o = [ (D_oo)^dag M_oo^-dag ] Moo^-1 L^{-1} eta_o
// eta_o' = (D_oo)^dag M_oo^-dag Moo^-1 (eta_o - Moe Mee^{-1} eta_e)
///////////////////////////////////////////////////////////////////////////////////////////////////////
template<class Field> class SchurRedBlackDiagOneSolve : public SchurRedBlackBase<Field> {
public:
typedef CheckerBoardedSparseMatrixBase<Field> Matrix;
/////////////////////////////////////////////////////
// Wrap the usual normal equations Schur trick
/////////////////////////////////////////////////////
SchurRedBlackDiagOneSolve(OperatorFunction<Field> &HermitianRBSolver, const bool initSubGuess = false,
const bool _solnAsInitGuess = false)
: SchurRedBlackBase<Field>(HermitianRBSolver,initSubGuess,_solnAsInitGuess) {};
virtual void RedBlackSource(Matrix & _Matrix,const Field &src, Field &src_e,Field &src_o)
{
GridBase *grid = _Matrix.RedBlackGrid();
GridBase *fgrid= _Matrix.Grid();
SchurDiagOneOperator<Matrix,Field> _HermOpEO(_Matrix);
Field tmp(grid);
Field Mtmp(grid);
pickCheckerboard(Even,src_e,src);
pickCheckerboard(Odd ,src_o,src);
/////////////////////////////////////////////////////
// src_o = Mpcdag *MooeeInv * (source_o - Moe MeeInv source_e)
/////////////////////////////////////////////////////
_Matrix.MooeeInv(src_e,tmp); assert( tmp.Checkerboard() ==Even);
_Matrix.Meooe (tmp,Mtmp); assert( Mtmp.Checkerboard() ==Odd);
Mtmp=src_o-Mtmp;
_Matrix.MooeeInv(Mtmp,tmp); assert( tmp.Checkerboard() ==Odd);
// get the right MpcDag
_HermOpEO.MpcDag(tmp,src_o); assert(src_o.Checkerboard() ==Odd);
}
virtual void RedBlackSolution(Matrix & _Matrix,const Field &sol_o, const Field &src_e,Field &sol)
{
GridBase *grid = _Matrix.RedBlackGrid();
GridBase *fgrid= _Matrix.Grid();
Field tmp(grid);
Field sol_e(grid);
///////////////////////////////////////////////////
// sol_e = M_ee^-1 * ( src_e - Meo sol_o )...
///////////////////////////////////////////////////
_Matrix.Meooe(sol_o,tmp); assert( tmp.Checkerboard() ==Even);
tmp = src_e-tmp; assert( src_e.Checkerboard() ==Even);
_Matrix.MooeeInv(tmp,sol_e); assert( sol_e.Checkerboard() ==Even);
setCheckerboard(sol,sol_e); assert( sol_e.Checkerboard() ==Even);
setCheckerboard(sol,sol_o); assert( sol_o.Checkerboard() ==Odd );
};
virtual void RedBlackSolve (Matrix & _Matrix,const Field &src_o, Field &sol_o)
{
SchurDiagOneOperator<Matrix,Field> _HermOpEO(_Matrix);
this->_HermitianRBSolver(_HermOpEO,src_o,sol_o);
};
virtual void RedBlackSolve (Matrix & _Matrix,const std::vector<Field> &src_o, std::vector<Field> &sol_o)
{
SchurDiagOneOperator<Matrix,Field> _HermOpEO(_Matrix);
this->_HermitianRBSolver(_HermOpEO,src_o,sol_o);
}
};
///////////////////////////////////////////////////////////////////////////////////////////////////////
// Site diagonal is identity, right preconditioned by Mee^inv
// ( 1 - Meo Moo^inv Moe Mee^inv ) phi =( 1 - Meo Moo^inv Moe Mee^inv ) Mee psi = = eta = eta