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mirror of https://github.com/paboyle/Grid.git synced 2024-09-20 09:15:38 +01:00

Skeleton of HMC/Integrators

This commit is contained in:
neo 2015-07-03 16:51:41 +09:00
parent 2c9ceaef94
commit 55f05a778f
13 changed files with 263 additions and 15 deletions

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@ -1 +1 @@
/opt/local/share/automake-1.15/INSTALL
/usr/share/automake-1.14/INSTALL

13
configure vendored
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@ -2577,7 +2577,7 @@ test -n "$target_alias" &&
NONENONEs,x,x, &&
program_prefix=${target_alias}-
am__api_version='1.15'
am__api_version='1.14'
# Find a good install program. We prefer a C program (faster),
# so one script is as good as another. But avoid the broken or
@ -2749,8 +2749,8 @@ test "$program_suffix" != NONE &&
ac_script='s/[\\$]/&&/g;s/;s,x,x,$//'
program_transform_name=`$as_echo "$program_transform_name" | sed "$ac_script"`
# Expand $ac_aux_dir to an absolute path.
am_aux_dir=`cd "$ac_aux_dir" && pwd`
# expand $ac_aux_dir to an absolute path
am_aux_dir=`cd $ac_aux_dir && pwd`
if test x"${MISSING+set}" != xset; then
case $am_aux_dir in
@ -2769,7 +2769,7 @@ else
$as_echo "$as_me: WARNING: 'missing' script is too old or missing" >&2;}
fi
if test x"${install_sh+set}" != xset; then
if test x"${install_sh}" != xset; then
case $am_aux_dir in
*\ * | *\ *)
install_sh="\${SHELL} '$am_aux_dir/install-sh'" ;;
@ -3097,8 +3097,8 @@ MAKEINFO=${MAKEINFO-"${am_missing_run}makeinfo"}
# <http://lists.gnu.org/archive/html/automake/2012-07/msg00014.html>
mkdir_p='$(MKDIR_P)'
# We need awk for the "check" target (and possibly the TAP driver). The
# system "awk" is bad on some platforms.
# We need awk for the "check" target. The system "awk" is bad on
# some platforms.
# Always define AMTAR for backward compatibility. Yes, it's still used
# in the wild :-( We should find a proper way to deprecate it ...
AMTAR='$${TAR-tar}'
@ -3157,7 +3157,6 @@ END
fi
ac_config_headers="$ac_config_headers lib/GridConfig.h"
# Check whether --enable-silent-rules was given.

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@ -19,6 +19,12 @@
/* GRID_COMMS_NONE */
#define GRID_COMMS_NONE 1
/* GRID_DEFAULT_PRECISION is DOUBLE */
/* #undef GRID_DEFAULT_PRECISION_DOUBLE */
/* GRID_DEFAULT_PRECISION is SINGLE */
#define GRID_DEFAULT_PRECISION_SINGLE 1
/* Support Altivec instructions */
/* #undef HAVE_ALTIVEC */

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@ -1,4 +1,4 @@
HFILES=./algorithms/approx/bigfloat.h ./algorithms/approx/bigfloat_double.h ./algorithms/approx/Chebyshev.h ./algorithms/approx/MultiShiftFunction.h ./algorithms/approx/Remez.h ./algorithms/approx/Zolotarev.h ./algorithms/CoarsenedMatrix.h ./algorithms/iterative/AdefGeneric.h ./algorithms/iterative/BfmHDCG.h ./algorithms/iterative/ConjugateGradient.h ./algorithms/iterative/ConjugateGradientMultiShift.h ./algorithms/iterative/ConjugateResidual.h ./algorithms/iterative/NormalEquations.h ./algorithms/iterative/PrecConjugateResidual.h ./algorithms/iterative/PrecGeneralisedConjugateResidual.h ./algorithms/iterative/SchurRedBlack.h ./algorithms/LinearOperator.h ./algorithms/Preconditioner.h ./algorithms/SparseMatrix.h ./Algorithms.h ./AlignedAllocator.h ./cartesian/Cartesian_base.h ./cartesian/Cartesian_full.h ./cartesian/Cartesian_red_black.h ./Cartesian.h ./communicator/Communicator_base.h ./Communicator.h ./cshift/Cshift_common.h ./cshift/Cshift_mpi.h ./cshift/Cshift_none.h ./Cshift.h ./Grid.h ./GridConfig.h ./lattice/Lattice_arith.h ./lattice/Lattice_base.h ./lattice/Lattice_comparison.h ./lattice/Lattice_comparison_utils.h ./lattice/Lattice_conformable.h ./lattice/Lattice_coordinate.h ./lattice/Lattice_ET.h ./lattice/Lattice_local.h ./lattice/Lattice_overload.h ./lattice/Lattice_peekpoke.h ./lattice/Lattice_reality.h ./lattice/Lattice_reduction.h ./lattice/Lattice_rng.h ./lattice/Lattice_trace.h ./lattice/Lattice_transfer.h ./lattice/Lattice_transpose.h ./lattice/Lattice_unary.h ./lattice/Lattice_where.h ./Lattice.h ./Old/Tensor_peek.h ./Old/Tensor_poke.h ./parallelIO/NerscIO.h ./qcd/action/Actions.h ./qcd/action/DiffAction.h ./qcd/action/fermion/CayleyFermion5D.h ./qcd/action/fermion/ContinuedFractionFermion5D.h ./qcd/action/fermion/DomainWallFermion.h ./qcd/action/fermion/FermionOperator.h ./qcd/action/fermion/g5HermitianLinop.h ./qcd/action/fermion/MobiusFermion.h ./qcd/action/fermion/MobiusZolotarevFermion.h ./qcd/action/fermion/OverlapWilsonCayleyTanhFermion.h ./qcd/action/fermion/OverlapWilsonCayleyZolotarevFermion.h ./qcd/action/fermion/OverlapWilsonContfracTanhFermion.h ./qcd/action/fermion/OverlapWilsonContfracZolotarevFermion.h ./qcd/action/fermion/OverlapWilsonPartialFractionTanhFermion.h ./qcd/action/fermion/OverlapWilsonPartialFractionZolotarevFermion.h ./qcd/action/fermion/PartialFractionFermion5D.h ./qcd/action/fermion/ScaledShamirFermion.h ./qcd/action/fermion/ShamirZolotarevFermion.h ./qcd/action/fermion/WilsonCompressor.h ./qcd/action/fermion/WilsonFermion.h ./qcd/action/fermion/WilsonFermion5D.h ./qcd/action/fermion/WilsonKernels.h ./qcd/action/gauge/GaugeActionBase.h ./qcd/action/gauge/WilsonGaugeAction.h ./qcd/QCD.h ./qcd/spin/Dirac.h ./qcd/spin/TwoSpinor.h ./qcd/utils/CovariantCshift.h ./qcd/utils/LinalgUtils.h ./qcd/utils/SpaceTimeGrid.h ./qcd/utils/SUn.h ./qcd/utils/WilsonLoops.h ./simd/Grid_avx.h ./simd/Grid_avx512.h ./simd/Grid_empty.h ./simd/Grid_neon.h ./simd/Grid_qpx.h ./simd/Grid_sse4.h ./simd/Grid_vector_types.h ./simd/Grid_vector_unops.h ./Simd.h ./stencil/Lebesgue.h ./Stencil.h ./tensors/Tensor_arith.h ./tensors/Tensor_arith_add.h ./tensors/Tensor_arith_mac.h ./tensors/Tensor_arith_mul.h ./tensors/Tensor_arith_scalar.h ./tensors/Tensor_arith_sub.h ./tensors/Tensor_class.h ./tensors/Tensor_determinant.h ./tensors/Tensor_exp.h ./tensors/Tensor_extract_merge.h ./tensors/Tensor_index.h ./tensors/Tensor_inner.h ./tensors/Tensor_logical.h ./tensors/Tensor_outer.h ./tensors/Tensor_reality.h ./tensors/Tensor_Ta.h ./tensors/Tensor_trace.h ./tensors/Tensor_traits.h ./tensors/Tensor_transpose.h ./tensors/Tensor_unary.h ./Tensors.h ./Threads.h
HFILES=./Cshift.h ./simd/Grid_avx.h ./simd/Grid_vector_types.h ./simd/Grid_sse4.h ./simd/Grid_avx512.h ./simd/Grid_empty.h ./simd/Grid_vector_unops.h ./simd/Grid_neon.h ./simd/Grid_qpx.h ./Tensors.h ./Algorithms.h ./communicator/Communicator_base.h ./lattice/Lattice_rng.h ./lattice/Lattice_reduction.h ./lattice/Lattice_transfer.h ./lattice/Lattice_unary.h ./lattice/Lattice_peekpoke.h ./lattice/Lattice_coordinate.h ./lattice/Lattice_comparison.h ./lattice/Lattice_overload.h ./lattice/Lattice_reality.h ./lattice/Lattice_local.h ./lattice/Lattice_conformable.h ./lattice/Lattice_where.h ./lattice/Lattice_comparison_utils.h ./lattice/Lattice_arith.h ./lattice/Lattice_base.h ./lattice/Lattice_ET.h ./lattice/Lattice_transpose.h ./lattice/Lattice_trace.h ./Stencil.h ./tensors/Tensor_arith_sub.h ./tensors/Tensor_exp.h ./tensors/Tensor_arith_mul.h ./tensors/Tensor_class.h ./tensors/Tensor_logical.h ./tensors/Tensor_transpose.h ./tensors/Tensor_arith_mac.h ./tensors/Tensor_arith_scalar.h ./tensors/Tensor_reality.h ./tensors/Tensor_trace.h ./tensors/Tensor_index.h ./tensors/Tensor_arith_add.h ./tensors/Tensor_outer.h ./tensors/Tensor_inner.h ./tensors/Tensor_traits.h ./tensors/Tensor_Ta.h ./tensors/Tensor_unary.h ./tensors/Tensor_determinant.h ./tensors/Tensor_arith.h ./tensors/Tensor_extract_merge.h ./Communicator.h ./Cartesian.h ./parallelIO/NerscIO.h ./qcd/QCD.h ./qcd/hmc/integrators/Integrator_base.h ./qcd/hmc/HMC.h ./qcd/utils/SpaceTimeGrid.h ./qcd/utils/SUn.h ./qcd/utils/LinalgUtils.h ./qcd/utils/CovariantCshift.h ./qcd/utils/WilsonLoops.h ./qcd/action/gauge/WilsonGaugeAction.h ./qcd/action/gauge/GaugeActionBase.h ./qcd/action/Actions.h ./qcd/action/fermion/CayleyFermion5D.h ./qcd/action/fermion/ScaledShamirFermion.h ./qcd/action/fermion/MobiusFermion.h ./qcd/action/fermion/OverlapWilsonContfracTanhFermion.h ./qcd/action/fermion/PartialFractionFermion5D.h ./qcd/action/fermion/ShamirZolotarevFermion.h ./qcd/action/fermion/FermionOperator.h ./qcd/action/fermion/WilsonFermion5D.h ./qcd/action/fermion/WilsonCompressor.h ./qcd/action/fermion/OverlapWilsonPartialFractionZolotarevFermion.h ./qcd/action/fermion/WilsonKernels.h ./qcd/action/fermion/DomainWallFermion.h ./qcd/action/fermion/OverlapWilsonPartialFractionTanhFermion.h ./qcd/action/fermion/OverlapWilsonContfracZolotarevFermion.h ./qcd/action/fermion/MobiusZolotarevFermion.h ./qcd/action/fermion/g5HermitianLinop.h ./qcd/action/fermion/OverlapWilsonCayleyTanhFermion.h ./qcd/action/fermion/WilsonFermion.h ./qcd/action/fermion/ContinuedFractionFermion5D.h ./qcd/action/fermion/OverlapWilsonCayleyZolotarevFermion.h ./qcd/spin/TwoSpinor.h ./qcd/spin/Dirac.h ./cshift/Cshift_common.h ./cshift/Cshift_none.h ./cshift/Cshift_mpi.h ./Simd.h ./GridConfig.h ./cartesian/Cartesian_base.h ./cartesian/Cartesian_red_black.h ./cartesian/Cartesian_full.h ./AlignedAllocator.h ./Lattice.h ./Old/Tensor_poke.h ./Old/Tensor_peek.h ./Threads.h ./Grid.h ./algorithms/Preconditioner.h ./algorithms/iterative/ConjugateResidual.h ./algorithms/iterative/PrecGeneralisedConjugateResidual.h ./algorithms/iterative/ConjugateGradientMultiShift.h ./algorithms/iterative/SchurRedBlack.h ./algorithms/iterative/NormalEquations.h ./algorithms/iterative/ConjugateGradient.h ./algorithms/iterative/AdefGeneric.h ./algorithms/approx/Chebyshev.h ./algorithms/approx/Zolotarev.h ./algorithms/approx/MultiShiftFunction.h ./algorithms/approx/bigfloat.h ./algorithms/approx/bigfloat_double.h ./algorithms/approx/Remez.h ./algorithms/LinearOperator.h ./algorithms/SparseMatrix.h ./algorithms/CoarsenedMatrix.h ./stencil/Lebesgue.h
CCFILES=./algorithms/approx/MultiShiftFunction.cc ./algorithms/approx/Remez.cc ./algorithms/approx/Zolotarev.cc ./GridInit.cc ./qcd/action/fermion/CayleyFermion5D.cc ./qcd/action/fermion/ContinuedFractionFermion5D.cc ./qcd/action/fermion/PartialFractionFermion5D.cc ./qcd/action/fermion/WilsonFermion.cc ./qcd/action/fermion/WilsonFermion5D.cc ./qcd/action/fermion/WilsonKernels.cc ./qcd/action/fermion/WilsonKernelsHand.cc ./qcd/spin/Dirac.cc ./qcd/utils/SpaceTimeGrid.cc ./stencil/Lebesgue.cc ./stencil/Stencil_common.cc
CCFILES=./qcd/hmc/integrators/Integrator_base.cc ./qcd/hmc/HMC.cc ./qcd/utils/SpaceTimeGrid.cc ./qcd/action/fermion/WilsonKernels.cc ./qcd/action/fermion/PartialFractionFermion5D.cc ./qcd/action/fermion/CayleyFermion5D.cc ./qcd/action/fermion/WilsonKernelsHand.cc ./qcd/action/fermion/WilsonFermion.cc ./qcd/action/fermion/ContinuedFractionFermion5D.cc ./qcd/action/fermion/WilsonFermion5D.cc ./qcd/spin/Dirac.cc ./GridInit.cc ./algorithms/approx/MultiShiftFunction.cc ./algorithms/approx/Remez.cc ./algorithms/approx/Zolotarev.cc ./stencil/Lebesgue.cc ./stencil/Stencil_common.cc

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@ -413,5 +413,8 @@ namespace QCD {
#include <qcd/utils/WilsonLoops.h>
#include <qcd/utils/SUn.h>
#include <qcd/action/Actions.h>
#include <qcd/hmc/integrators/Integrator_base.h>
#include <qcd/hmc/HMC.h>
#endif

0
lib/qcd/hmc/.dirstamp Normal file
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98
lib/qcd/hmc/HMC.cc Normal file
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@ -0,0 +1,98 @@
#include <Grid.h>
namespace Grid{
namespace QCD{
HMCparameters::HMCparameters(){
// FIXME fill this constructor now just default values
////////////////////////////// Default values
Nsweeps = 10;
TotalSweeps = 10;
ThermalizationSteps = 0;
StartingConfig = 0;
SaveInterval = 1;
Filename_prefix = "Conf_";
/////////////////////////////////
}
/////////////////////////////////////////////////////////////////
HybridMonteCarlo::HybridMonteCarlo(GridSerialRNG& R):RNG(R){
//FIXME
}
void HybridMonteCarlo::evolve(LatticeColourMatrix& Uin)const{
Real DeltaH;
Real timer;
// Thermalizations
for(int iter=1; iter <= Params.ThermalizationSteps; ++iter){
std::cout << "-- # Thermalization step = "<< iter << "\n";
DeltaH = evolve_step(Uin);
std::cout<< "[Timing] Trajectory time (s) : "<< timer/1000.0 << "\n";
std::cout<< "dH = "<< DeltaH << "\n";
// Update matrix
//Uin = md_->get_U(); //accept every time
}
// Actual updates
for(int iter=Params.StartingConfig;
iter < Params.Nsweeps+Params.StartingConfig; ++iter){
std::cout << "-- # Sweep = "<< iter << "\n";
DeltaH = evolve_step(Uin);
if(metropolis_test(DeltaH)) {};//Uin = md_->get_U();
// need sync?
}
}
RealD HybridMonteCarlo::evolve_step(LatticeColourMatrix& Uin)const{
/*
md_->init(Uin,RNG); // set U and initialize P and phi's
RealD H0 = md_->S(); // current state
std::cout<<"Total H_before = "<< H0 << "\n";
md_->integrator();
RealD H1 = md_->calc_H(); // updated state
std::cout<<"Total H_after = "<< H1 << "\n";
return (H1-H0);
*/
return 0;
}
bool HybridMonteCarlo::metropolis_test(const RealD DeltaH)const{
RealD rn_test;
RealD prob = std::exp(-DeltaH);
random(RNG,rn_test);
std::cout<< "--------------------------------------------\n";
std::cout<< "dH = "<<DeltaH << " Random = "<< rn_test
<< "\nAcc. Probability = " << ((prob<1.0)? prob: 1.0)<< " ";
if((prob >1.0) || (rn_test <= prob)){ // accepted
std::cout <<"-- ACCEPTED\n";
return true;
} else { // rejected
std::cout <<"-- REJECTED\n";
return false;
}
}
}
}

50
lib/qcd/hmc/HMC.h Normal file
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@ -0,0 +1,50 @@
//--------------------------------------------------------------------
/*! @file HMC.h
* @brief Declaration of classes for HybridMonteCarlo update
*
* @author Guido Cossu
*/
//--------------------------------------------------------------------
#ifndef HMC_INCLUDED
#define HMC_INCLUDED
#include <string>
#include <memory>
namespace Grid{
namespace QCD{
struct HMCparameters{
Integer Nsweeps; /* @brief Number of sweeps in this run */
Integer TotalSweeps; /* @brief If provided, the total number of sweeps */
Integer ThermalizationSteps;
Integer StartingConfig;
Integer SaveInterval; //Setting to 0 does not save configurations
std::string Filename_prefix; // To save configurations
HMCparameters();
};
class HybridMonteCarlo{
const HMCparameters Params;
GridSerialRNG& RNG;
// FIXME need the integrator
bool metropolis_test(const RealD DeltaH)const;
RealD evolve_step(LatticeColourMatrix&)const;
public:
HybridMonteCarlo(GridSerialRNG&);
~HybridMonteCarlo(){};
void evolve(LatticeColourMatrix& Uin)const;
};
}// QCD
}// Grid
#endif

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@ -0,0 +1,22 @@
/*!
@file Integrator_base.cc
@brief utilities for MD including funcs to generate initial HMC momentum
*/
#include <Grid.h>
static const double sq3i = 1.0/sqrt(3.0);
namespace Grid{
namespace QCD{
void MDutils::generate_momenta_su3(LatticeColourMatrix& P,GridParallelRNG& pRNG){
SU3::GaussianLieAlgebraMatrix(pRNG, P);
}
}
}

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@ -0,0 +1,50 @@
//--------------------------------------------------------------------
/*! @file Integrator_base.h
* @brief Declaration of classes for the abstract Molecular Dynamics integrator
*
* @author Guido Cossu
*/
//--------------------------------------------------------------------
#ifndef INTEGRATOR_INCLUDED
#define INTEGRATOR_INCLUDED
class Action;
class RandNum;
class Observer;
typedef std::vector<Action*> ActionLevel;
typedef std::vector<ActionLevel> ActionSet;
typedef std::vector<Observer*> ObserverList;
/*! @brief Abstract base class for Molecular Dynamics management */
namespace Grid{
namespace QCD{
class Integrator{
private:
virtual void update_P(int lv,double ep) = 0;
virtual void update_U(double ep) = 0;
virtual void register_observers() = 0;
virtual void notify_observers() = 0;
public:
virtual ~Integrator(){}
virtual void init(const LatticeColourMatrix&,
const GridParallelRNG& RNG)=0;
virtual double S()const =0;
virtual void integrate(int level) =0;
virtual const LatticeColourMatrix get_U() const =0;
void generate_momenta(LatticeColourMatrix& P,const RandNum& rand);
};
namespace MDutils{
void generate_momenta_su3(LatticeColourMatrix& P,GridParallelRNG& RNG);
}
}
}
#endif//INTEGRATOR_INCLUDED

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@ -543,6 +543,26 @@ Note that in step D setting B ~ X - A and using B in place of A in step E will g
taExp(lie,out);
}
static void GaussianLieAlgebraMatrix(GridParallelRNG &pRNG,LatticeMatrix &out,double scale=1.0){
GridBase *grid = out._grid;
LatticeComplex ca (grid);
LatticeMatrix lie(grid);
LatticeMatrix la (grid);
Complex ci(0.0,scale);
Matrix ta;
out=zero;
for(int a=0;a<generators();a++){
gaussian(pRNG,ca);
generator(a,ta);
la=ci*ca*ta;
out = lie+la; // e^{i la ta}
}
}
static void HotConfiguration(GridParallelRNG &pRNG,LatticeGaugeField &out){
LatticeMatrix Umu(out._grid);
for(int mu=0;mu<Nd;mu++){

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@ -1,9 +1,5 @@
bin_PROGRAMS = Test_GaugeAction Test_cayley_cg Test_cayley_coarsen_support Test_cayley_even_odd Test_cayley_ldop_cr Test_cf_coarsen_support Test_cf_cr_unprec Test_contfrac_cg Test_contfrac_even_odd Test_cshift Test_cshift_red_black Test_dwf_cg_prec Test_dwf_cg_schur Test_dwf_cg_unprec Test_dwf_cr_unprec Test_dwf_even_odd Test_dwf_fpgcr Test_dwf_hdcr Test_gamma Test_lie_generators Test_main Test_multishift_sqrt Test_nersc_io Test_quenched_update Test_remez Test_rng Test_rng_fixed Test_simd Test_stencil Test_wilson_cg_prec Test_wilson_cg_schur Test_wilson_cg_unprec Test_wilson_cr_unprec Test_wilson_even_odd
Test_GaugeAction_SOURCES=Test_GaugeAction.cc
Test_GaugeAction_LDADD=-lGrid
bin_PROGRAMS = Test_cayley_cg Test_cayley_coarsen_support Test_cayley_even_odd Test_cayley_ldop_cr Test_cf_coarsen_support Test_cf_cr_unprec Test_contfrac_cg Test_contfrac_even_odd Test_cshift Test_cshift_red_black Test_dwf_cg_prec Test_dwf_cg_schur Test_dwf_cg_unprec Test_dwf_cr_unprec Test_dwf_even_odd Test_dwf_fpgcr Test_dwf_hdcr Test_gamma Test_GaugeAction Test_lie_generators Test_main Test_multishift_sqrt Test_nersc_io Test_quenched_update Test_remez Test_rng Test_rng_fixed Test_simd Test_stencil Test_wilson_cg_prec Test_wilson_cg_schur Test_wilson_cg_unprec Test_wilson_cr_unprec Test_wilson_even_odd
Test_cayley_cg_SOURCES=Test_cayley_cg.cc
@ -78,6 +74,10 @@ Test_gamma_SOURCES=Test_gamma.cc
Test_gamma_LDADD=-lGrid
Test_GaugeAction_SOURCES=Test_GaugeAction.cc
Test_GaugeAction_LDADD=-lGrid
Test_lie_generators_SOURCES=Test_lie_generators.cc
Test_lie_generators_LDADD=-lGrid