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Added configure flag for LAPACK. Tested ImplicitlyRestartedLanczos::calc()

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Checking in before cleaning up
This commit is contained in:
Jung 2016-02-20 02:50:32 -05:00
parent bd84c23298
commit 9f0d9ade68
10 changed files with 212 additions and 52 deletions
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56
configure vendored
View File

@ -626,6 +626,10 @@ ac_subst_vars='am__EXEEXT_FALSE
am__EXEEXT_TRUE
LTLIBOBJS
LIBOBJS
USE_LAPACK_LIB_FALSE
USE_LAPACK_LIB_TRUE
USE_LAPACK_FALSE
USE_LAPACK_TRUE
BUILD_CHROMA_REGRESSION_FALSE
BUILD_CHROMA_REGRESSION_TRUE
BUILD_COMMS_NONE_FALSE
@ -751,6 +755,7 @@ enable_precision
enable_comms
enable_rng
enable_chroma
enable_lapack
'
ac_precious_vars='build_alias
host_alias
@ -1399,6 +1404,7 @@ Optional Features:
--enable-rng=ranlux48|mt19937
Select Random Number Generator to be used
--enable-chroma Expect chroma compiled under c++11
--enable-lapack Location of lapack
Some influential environment variables:
CXX C++ compiler command
@ -6629,6 +6635,47 @@ else
fi
#
# Chroma regression tests
#
# Check whether --enable-lapack was given.
if test "${enable_lapack+set}" = set; then :
enableval=$enable_lapack; ac_LAPACK=${enable_lapack}
else
ac_LAPACK=no
fi
case ${ac_LAPACK} in
yes)
echo Enabling lapack
;;
no)
echo Disabling lapack
;;
*)
echo Enabling lapack at ${ac_LAPACK}
# AC_MSG_ERROR([Enabli${ac_LAPACK} unsupported --enable-lapack option]);
;;
esac
if test "X${ac_LAPACK}X" != "XnoX" ; then
USE_LAPACK_TRUE=
USE_LAPACK_FALSE='#'
else
USE_LAPACK_TRUE='#'
USE_LAPACK_FALSE=
fi
if test "X${ac_LAPACK}X" != "XyesX" ; then
USE_LAPACK_LIB_TRUE=
USE_LAPACK_LIB_FALSE='#'
else
USE_LAPACK_LIB_TRUE='#'
USE_LAPACK_LIB_FALSE=
fi
###################################################################
# Checks for doxygen support
# if present enables the "make doxyfile" command
@ -6808,6 +6855,14 @@ if test -z "${BUILD_CHROMA_REGRESSION_TRUE}" && test -z "${BUILD_CHROMA_REGRESSI
as_fn_error $? "conditional \"BUILD_CHROMA_REGRESSION\" was never defined.
Usually this means the macro was only invoked conditionally." "$LINENO" 5
fi
if test -z "${USE_LAPACK_TRUE}" && test -z "${USE_LAPACK_FALSE}"; then
as_fn_error $? "conditional \"USE_LAPACK\" was never defined.
Usually this means the macro was only invoked conditionally." "$LINENO" 5
fi
if test -z "${USE_LAPACK_LIB_TRUE}" && test -z "${USE_LAPACK_LIB_FALSE}"; then
as_fn_error $? "conditional \"USE_LAPACK_LIB\" was never defined.
Usually this means the macro was only invoked conditionally." "$LINENO" 5
fi
: "${CONFIG_STATUS=./config.status}"
ac_write_fail=0
@ -8154,6 +8209,7 @@ The following features are enabled:
- communications type : ${ac_COMMS}
- default precision : ${ac_PRECISION}
- RNG choice : ${ac_RNG}
- LAPACK : ${ac_LAPACK}
"

22
configure.ac
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@ -222,6 +222,27 @@ esac
AM_CONDITIONAL(BUILD_CHROMA_REGRESSION,[ test "X${ac_CHROMA}X" == "XyesX" ])
#
# Chroma regression tests
#
AC_ARG_ENABLE([lapack],[AC_HELP_STRING([--enable-lapack],[Location of lapack ])],[ac_LAPACK=${enable_lapack}],[ac_LAPACK=no])
case ${ac_LAPACK} in
yes)
echo Enabling lapack
;;
no)
echo Disabling lapack
;;
*)
echo Enabling lapack at ${ac_LAPACK}
# AC_MSG_ERROR([Enabli${ac_LAPACK} unsupported --enable-lapack option]);
;;
esac
AM_CONDITIONAL(USE_LAPACK,[ test "X${ac_LAPACK}X" != "XnoX" ])
AM_CONDITIONAL(USE_LAPACK_LIB,[ test "X${ac_LAPACK}X" != "XyesX" ])
###################################################################
# Checks for doxygen support
# if present enables the "make doxyfile" command
@ -265,6 +286,7 @@ The following features are enabled:
- communications type : ${ac_COMMS}
- default precision : ${ac_PRECISION}
- RNG choice : ${ac_RNG}
- LAPACK : ${ac_LAPACK}
"

9
lib/algorithms/LinearOperator.h
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@ -222,6 +222,7 @@ namespace Grid {
SchurDiagMooeeOperator (Matrix &Mat): _Mat(Mat){};
virtual RealD Mpc (const Field &in, Field &out) {
Field tmp(in._grid);
// std::cout <<"grid pointers: in._grid="<< in._grid << " out._grid=" << out._grid << " _Mat.Grid=" << _Mat.Grid() << " _Mat.RedBlackGrid=" << _Mat.RedBlackGrid() << std::endl;
_Mat.Meooe(in,tmp);
_Mat.MooeeInv(tmp,out);
@ -251,10 +252,10 @@ namespace Grid {
virtual RealD Mpc (const Field &in, Field &out) {
Field tmp(in._grid);
_Mat.Meooe(in,tmp);
_Mat.MooeeInv(tmp,out);
_Mat.Meooe(out,tmp);
_Mat.MooeeInv(tmp,out);
_Mat.Meooe(in,out);
_Mat.MooeeInv(out,tmp);
_Mat.Meooe(tmp,out);
_Mat.MooeeInv(out,tmp);
return axpy_norm(out,-1.0,tmp,in);
}

2
lib/algorithms/approx/Chebyshev.h
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@ -198,6 +198,8 @@ namespace Grid {
void operator() (LinearOperatorBase<Field> &Linop, const Field &in, Field &out) {
GridBase *grid=in._grid;
//std::cout << "Chevyshef(): in._grid="<<in._grid<<std::endl;
//<<" Linop.Grid()="<<Linop.Grid()<<"Linop.RedBlackGrid()="<<Linop.RedBlackGrid()<<std::endl;
int vol=grid->gSites();

2
lib/algorithms/iterative/ConjugateGradientMultiShift.h
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@ -274,7 +274,7 @@ void operator() (LinearOperatorBase<Field> &Linop, const Field &src, std::vector
}
// ugly hack
std::cout<<GridLogMessage<<"CG multi shift did not converge"<<std::endl;
assert(0);
// assert(0);
}
};

127
lib/algorithms/iterative/ImplicitlyRestartedLanczos.h
View File

@ -30,7 +30,9 @@ Author: paboyle <paboyle@ph.ed.ac.uk>
#define GRID_IRL_H
#include <string.h> //memset
#include <lapacke.h> //memset
#ifdef USE_LAPACK
#include <lapacke.h>
#endif
#include <algorithms/iterative/DenseMatrix.h>
#include <algorithms/iterative/EigenSort.h>
@ -60,7 +62,7 @@ public:
SortEigen<Field> _sort;
GridCartesian &_fgrid;
// GridCartesian &_fgrid;
LinearOperatorBase<Field> &_Linop;
@ -72,14 +74,14 @@ public:
void init(void){};
void Abort(int ff, DenseVector<RealD> &evals, DenseVector<DenseVector<RealD> > &evecs);
ImplicitlyRestartedLanczos(GridCartesian &fgrid, LinearOperatorBase<Field> &Linop, // op
ImplicitlyRestartedLanczos(
LinearOperatorBase<Field> &Linop, // op
OperatorFunction<Field> & poly, // polynmial
int _Nstop, // sought vecs
int _Nk, // sought vecs
int _Nm, // spare vecs
RealD _eresid, // resid in lmdue deficit
int _Niter) : // Max iterations
_fgrid(fgrid),
_Linop(Linop),
_poly(poly),
Nstop(_Nstop),
@ -91,6 +93,24 @@ public:
Np = Nm-Nk; assert(Np>0);
};
ImplicitlyRestartedLanczos(
LinearOperatorBase<Field> &Linop, // op
OperatorFunction<Field> & poly, // polynmial
int _Nk, // sought vecs
int _Nm, // spare vecs
RealD _eresid, // resid in lmdue deficit
int _Niter) : // Max iterations
_Linop(Linop),
_poly(poly),
Nstop(_Nk),
Nk(_Nk),
Nm(_Nm),
eresid(_eresid),
Niter(_Niter)
{
Np = Nm-Nk; assert(Np>0);
};
/////////////////////////
// Sanity checked this routine (step) against Saad.
/////////////////////////
@ -228,16 +248,17 @@ public:
}
}
//int lapackcj_Wilkinson(Matrix<T> &AH, vector<T> &tevals, vector<vector<T> > &tevecs, double small) {
#ifdef USE_LAPACK
void diagonalize_lapack(DenseVector<RealD>& lmd,
DenseVector<RealD>& lme,
int Nm2,
int Nm,
DenseVector<RealD>& Qt){
int N1,
int N2,
DenseVector<RealD>& Qt,
GridBase *grid){
const int size = Nm;
// tevals.resize(size);
// tevecs.resize(size);
int NN = Nm;
int NN = N1;
double evals_tmp[NN];
double evec_tmp[NN][NN];
memset(evec_tmp[0],0,sizeof(double)*NN*NN);
@ -266,8 +287,9 @@ public:
int info;
// int total = QMP_get_number_of_nodes();
// int node = QMP_get_node_number();
int total = _fgrid._Nprocessors;
int node = _fgrid._processor;
// GridBase *grid = evec[0]._grid;
int total = grid->_Nprocessors;
int node = grid->_processor;
int interval = (NN/total)+1;
double vl = 0.0, vu = 0.0;
int il = interval*node+1 , iu = interval*(node+1);
@ -298,40 +320,50 @@ public:
{
// QMP_sum_double_array(evals_tmp,NN);
// QMP_sum_double_array((double *)evec_tmp,NN*NN);
_fgrid.GlobalSumVector(evals_tmp,NN);
_fgrid.GlobalSumVector((double*)evec_tmp,NN*NN);
grid->GlobalSumVector(evals_tmp,NN);
grid->GlobalSumVector((double*)evec_tmp,NN*NN);
}
}
// cheating a bit. It is better to sort instead of just reversing it, but the document of the routine says evals are sorted in increasing order. qr gives evals in decreasing order.
for(int i=0;i<NN;i++){
for(int j=0;j<NN;j++)
Qt[i*NN+j]=evec_tmp[i][j];
lmd [i]=evals_tmp[i];
Qt[(NN-1-i)*N2+j]=evec_tmp[i][j];
lmd [NN-1-i]=evals_tmp[i];
}
}
#endif
void diagonalize(DenseVector<RealD>& lmd,
DenseVector<RealD>& lme,
int Nm2,
int Nm,
DenseVector<RealD>& Qt)
int N2,
int N1,
DenseVector<RealD>& Qt,
GridBase *grid)
{
if(1)
{
DenseVector <RealD> lmd2(Nm);
DenseVector <RealD> lme2(Nm);
for(int k=0; k<Nm; ++k){
#ifdef USE_LAPACK
const int check_lapack=0; // just use lapack if 0, check against lapack if 1
if(!check_lapack)
return diagonalize_lapack(lmd,lme,N2,N1,Qt,grid);
DenseVector <RealD> lmd2(N1);
DenseVector <RealD> lme2(N1);
DenseVector<RealD> Qt2(N1*N1);
for(int k=0; k<N1; ++k){
lmd2[k] = lmd[k];
lme2[k] = lme[k];
}
for(int k=0; k<N1*N1; ++k)
Qt2[k] = Qt[k];
return diagonalize_lapack(lmd,lme,Nm2,Nm,Qt);
}
// diagonalize_lapack(lmd2,lme2,Nm2,Nm,Qt,grid);
#endif
int Niter = 100*Nm;
int Niter = 100*N1;
int kmin = 1;
int kmax = Nk;
int kmax = N2;
// (this should be more sophisticated)
for(int iter=0; iter<Niter; ++iter){
@ -343,7 +375,7 @@ if(1)
// (Dsh: shift)
// transformation
qr_decomp(lmd,lme,Nk,Nm,Qt,Dsh,kmin,kmax);
qr_decomp(lmd,lme,N2,N1,Qt,Dsh,kmin,kmax);
// Convergence criterion (redef of kmin and kamx)
for(int j=kmax-1; j>= kmin; --j){
@ -354,6 +386,23 @@ if(1)
}
}
Niter = iter;
#ifdef USE_LAPACK
if(check_lapack){
const double SMALL=1e-8;
diagonalize_lapack(lmd2,lme2,N2,N1,Qt2,grid);
DenseVector <RealD> lmd3(N2);
for(int k=0; k<N2; ++k) lmd3[k]=lmd[k];
_sort.push(lmd3,N2);
_sort.push(lmd2,N2);
for(int k=0; k<N2; ++k){
if (fabs(lmd2[k] - lmd3[k]) >SMALL) std::cout <<"lmd(qr) lmd(lapack) "<< k << ": " << lmd2[k] <<" "<< lmd3[k] <<std::endl;
// if (fabs(lme2[k] - lme[k]) >SMALL) std::cout <<"lme(qr)-lme(lapack) "<< k << ": " << lme2[k] - lme[k] <<std::endl;
}
for(int k=0; k<N1*N1; ++k){
// if (fabs(Qt2[k] - Qt[k]) >SMALL) std::cout <<"Qt(qr)-Qt(lapack) "<< k << ": " << Qt2[k] - Qt[k] <<std::endl;
}
}
#endif
return;
continued:
@ -369,6 +418,7 @@ if(1)
abort();
}
#if 1
static RealD normalise(Field& v)
{
RealD nn = norm2(v);
@ -430,6 +480,7 @@ until convergence
{
GridBase *grid = evec[0]._grid;
assert(grid == src._grid);
std::cout << " -- Nk = " << Nk << " Np = "<< Np << std::endl;
std::cout << " -- Nm = " << Nm << std::endl;
@ -460,9 +511,11 @@ until convergence
// (uniform vector) Why not src??
// evec[0] = 1.0;
evec[0] = src;
std:: cout <<"norm2(src)= " << norm2(src) << std::endl;
std:: cout <<"norm2(src)= " << norm2(src)<<std::endl;
// << src._grid << std::endl;
normalise(evec[0]);
std:: cout <<"norm2(evec[0])= " << norm2(evec[0]) << std::endl;
std:: cout <<"norm2(evec[0])= " << norm2(evec[0]) <<std::endl;
// << evec[0]._grid << std::endl;
// Initial Nk steps
for(int k=0; k<Nk; ++k) step(eval,lme,evec,f,Nm,k);
@ -494,7 +547,7 @@ until convergence
lme2[k] = lme[k+k1-1];
}
setUnit_Qt(Nm,Qt);
diagonalize(eval2,lme2,Nm,Nm,Qt);
diagonalize(eval2,lme2,Nm,Nm,Qt,grid);
// sorting
_sort.push(eval2,Nm);
@ -533,7 +586,7 @@ until convergence
lme2[k] = lme[k];
}
setUnit_Qt(Nm,Qt);
diagonalize(eval2,lme2,Nk,Nm,Qt);
diagonalize(eval2,lme2,Nk,Nm,Qt,grid);
for(int k = 0; k<Nk; ++k) B[k]=0.0;
@ -541,13 +594,16 @@ until convergence
for(int k = 0; k<Nk; ++k){
B[j] += Qt[k+j*Nm] * evec[k];
}
// std::cout << "norm(B["<<j<<"])="<<norm2(B[j])<<std::endl;
}
// _sort.push(eval2,B,Nk);
Nconv = 0;
// std::cout << std::setiosflags(std::ios_base::scientific);
for(int i=0; i<Nk; ++i){
_poly(_Linop,B[i],v);
// _poly(_Linop,B[i],v);
_Linop.HermOp(B[i],v);
RealD vnum = real(innerProduct(B[i],v)); // HermOp.
RealD vden = norm2(B[i]);
@ -555,11 +611,13 @@ until convergence
v -= eval2[i]*B[i];
RealD vv = norm2(v);
std::cout.precision(13);
std::cout << "[" << std::setw(3)<< std::setiosflags(std::ios_base::right) <<i<<"] ";
std::cout << "eval = "<<std::setw(25)<< std::setiosflags(std::ios_base::left)<< eval2[i];
std::cout <<" |H B[i] - eval[i]B[i]|^2 "<< std::setw(25)<< std::setiosflags(std::ios_base::right)<< vv<< std::endl;
if(vv<eresid*eresid){
// change the criteria as evals are supposed to be sorted, all evals smaller(larger) than Nstop should have converged
if((vv<eresid*eresid) && (i == Nconv) ){
Iconv[Nconv] = i;
++Nconv;
}
@ -1140,6 +1198,7 @@ static void Lock(DenseMatrix<T> &H, ///Hess mtx
}
}
#endif
};

2
lib/qcd/action/Actions.h
View File

@ -209,7 +209,7 @@ typedef WilsonFermion<GparityWilsonImplD> GparityWilsonFermionD;
typedef DomainWallFermion<GparityWilsonImplR> GparityDomainWallFermionR;
typedef DomainWallFermion<GparityWilsonImplF> GparityDomainWallFermionF;
typedef DomainWallFermion<GparityWilsonImplD> GparityDomainWallFermionD;
#if 0
#if 1
typedef WilsonTMFermion<GparityWilsonImplR> GparityWilsonTMFermionR;
typedef WilsonTMFermion<GparityWilsonImplF> GparityWilsonTMFermionF;
typedef WilsonTMFermion<GparityWilsonImplD> GparityWilsonTMFermionD;

6
tests/Make.inc
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@ -96,6 +96,9 @@ Test_dwf_hdcr_LDADD=-lGrid
Test_dwf_lanczos_SOURCES=Test_dwf_lanczos.cc
Test_dwf_lanczos_LDADD=-lGrid
if USE_LAPACK
Test_dwf_lanczos_LDADD +=-lGrid -llapack -llapacke
endif
Test_gamma_SOURCES=Test_gamma.cc
@ -232,6 +235,9 @@ Test_stencil_LDADD=-lGrid
Test_synthetic_lanczos_SOURCES=Test_synthetic_lanczos.cc
Test_synthetic_lanczos_LDADD=-lGrid
if USE_LAPACK
Test_synthetic_lanczos_LDADD +=-lGrid -llapack -llapacke
endif
Test_wilson_cg_prec_SOURCES=Test_wilson_cg_prec.cc

10
tests/Makefile.am
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@ -8,6 +8,16 @@ endif
AM_CXXFLAGS = -I$(top_srcdir)/lib
AM_LDFLAGS = -L$(top_builddir)/lib
if USE_LAPACK
AM_CXXFLAGS += -DUSE_LAPACK
if USE_LAPACK_LIB
#if test "X${ac_LAPACK}X" != XyesX
AM_CXXFLAGS += -I$(ac_LAPACK)/include
AM_LDFLAGS += -L$(ac_LAPACK)/lib
#fi
endif
endif
if BUILD_ZMM
bin_PROGRAMS=Test_zmm
endif

28
tests/Test_dwf_lanczos.cc
View File

@ -43,13 +43,14 @@ int main (int argc, char ** argv)
GridRedBlackCartesian * UrbGrid = SpaceTimeGrid::makeFourDimRedBlackGrid(UGrid);
GridCartesian * FGrid = SpaceTimeGrid::makeFiveDimGrid(Ls,UGrid);
GridRedBlackCartesian * FrbGrid = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,UGrid);
printf("UGrid=%p UrbGrid=%p FGrid=%p FrbGrid=%p\n",UGrid,UrbGrid,FGrid,FrbGrid);
std::vector<int> seeds4({1,2,3,4});
std::vector<int> seeds5({5,6,7,8});
GridParallelRNG RNG5(FGrid); RNG5.SeedFixedIntegers(seeds5);
GridParallelRNG RNG4(UGrid); RNG4.SeedFixedIntegers(seeds4);
GridParallelRNG RNG5rb(FrbGrid); RNG5.SeedFixedIntegers(seeds5);
LatticeFermion src(FGrid); gaussian(RNG5,src);
LatticeGaugeField Umu(UGrid);
SU3::HotConfiguration(RNG4, Umu);
@ -58,33 +59,36 @@ int main (int argc, char ** argv)
U[mu] = PeekIndex<LorentzIndex>(Umu,mu);
}
RealD mass=0.1;
RealD mass=0.01;
RealD M5=1.8;
DomainWallFermionR Ddwf(Umu,*FGrid,*FrbGrid,*UGrid,*UrbGrid,mass,M5);
MdagMLinearOperator<DomainWallFermionR,LatticeFermion> HermOp(Ddwf);
// MdagMLinearOperator<DomainWallFermionR,LatticeFermion> HermOp(Ddwf);
// SchurDiagTwoOperator<DomainWallFermionR,LatticeFermion> HermOp(Ddwf);
SchurDiagMooeeOperator<DomainWallFermionR,LatticeFermion> HermOp(Ddwf);
const int Nstop = 30;
const int Nk = 40;
const int Np = 10;
const int Np = 40;
const int Nm = Nk+Np;
const int MaxIt= 10000;
RealD resid = 1.0e-8;
std::vector<double> Coeffs { 0.,1.};
std::vector<double> Coeffs { 0.,-1.};
Polynomial<LatticeFermion> PolyX(Coeffs);
Chebyshev<LatticeFermion> Cheb(1,80.,11);
Chebyshev<LatticeFermion> Cheb(1,80.,21);
// ChebyshevLanczos<LatticeFermion> Cheb(9.,1.,0.,20);
Cheb.csv(std::cout);
// Cheb.csv(std::cout);
// exit(-24);
ImplicitlyRestartedLanczos<LatticeFermion> IRL(*FGrid,HermOp,Cheb,Nstop,Nk,Nm,resid,MaxIt);
ImplicitlyRestartedLanczos<LatticeFermion> IRL(HermOp,Cheb,Nstop,Nk,Nm,resid,MaxIt);
std::vector<RealD> eval(Nm);
std::vector<LatticeFermion> evec(Nm,FGrid);
// for(int i=0;i<Nm;i++){
// std::cout << i<<" / "<< Nm<< " grid pointer "<<evec[i]._grid<<std::endl;
// };
LatticeFermion src(FrbGrid); gaussian(RNG5rb,src);
std::vector<LatticeFermion> evec(Nm,FrbGrid);
for(int i=0;i<1;i++){
std::cout << i<<" / "<< Nm<< " grid pointer "<<evec[i]._grid<<std::endl;
};
int Nconv;
IRL.calc(eval,evec,