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Adding some documentation for HMC

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This commit is contained in:
Guido Cossu 2016-10-19 10:51:13 +01:00
parent 79270ef510
commit 74f1ed3bc5
7 changed files with 531 additions and 70 deletions
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4
lib/qcd/action/Actions.h
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@ -72,6 +72,10 @@ namespace QCD {
typedef WilsonGaugeAction<PeriodicGimplR> WilsonGaugeActionR;
typedef WilsonGaugeAction<PeriodicGimplF> WilsonGaugeActionF;
typedef WilsonGaugeAction<PeriodicGimplD> WilsonGaugeActionD;
typedef VariableWilsonGaugeAction<PeriodicGimplR> VariableWilsonGaugeActionR;
typedef VariableWilsonGaugeAction<PeriodicGimplF> VariableWilsonGaugeActionF;
typedef VariableWilsonGaugeAction<PeriodicGimplD> VariableWilsonGaugeActionD;
typedef PlaqPlusRectangleAction<PeriodicGimplR> PlaqPlusRectangleActionR;
typedef PlaqPlusRectangleAction<PeriodicGimplF> PlaqPlusRectangleActionF;
typedef PlaqPlusRectangleAction<PeriodicGimplD> PlaqPlusRectangleActionD;

182
lib/qcd/action/gauge/WilsonGaugeAction.h
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@ -25,7 +25,8 @@ Author: paboyle <paboyle@ph.ed.ac.uk>
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution directory
See the full license in the file "LICENSE" in the top level distribution
directory
*************************************************************************************/
/* END LEGAL */
#ifndef QCD_WILSON_GAUGE_ACTION_H
@ -40,17 +41,18 @@ namespace Grid{
template <class Gimpl>
class WilsonGaugeAction : public Action<typename Gimpl::GaugeField> {
public:
INHERIT_GIMPL_TYPES(Gimpl);
// typedef LorentzScalar<GaugeField> GaugeLinkField;
private:
RealD beta;
public:
WilsonGaugeAction(RealD b) : beta(b){};
virtual void refresh(const GaugeField &U, GridParallelRNG& pRNG) {}; // noop as no pseudoferms
virtual void refresh(const GaugeField &U,
GridParallelRNG &pRNG){}; // noop as no pseudoferms
virtual RealD S(const GaugeField &U) {
RealD plaq = WilsonLoops<Gimpl>::avgPlaquette(U);
@ -69,17 +71,189 @@ namespace Grid{
GaugeLinkField Umu(U._grid);
GaugeLinkField dSdU_mu(U._grid);
for (int mu = 0; mu < Nd; mu++) {
Umu = PeekIndex<LorentzIndex>(U, mu);
// Staple in direction mu
WilsonLoops<Gimpl>::Staple(dSdU_mu, U, mu);
dSdU_mu = Ta(Umu * dSdU_mu) * factor;
PokeIndex<LorentzIndex>(dSdU, dSdU_mu, mu);
}
};
};
template <class Gimpl>
class VariableWilsonGaugeAction : public Action<typename Gimpl::GaugeField> {
public:
INHERIT_GIMPL_TYPES(Gimpl);
private:
std::vector<RealD> b_bulk;// bulk couplings
std::vector<RealD> b_xdim;//extra dimension couplings
GridBase *grid;
LatticeComplex beta_xdim;
LatticeComplex beta_xdim_shifted;
LatticeComplex beta_bulk;
public:
VariableWilsonGaugeAction(std::vector<RealD> bulk, std::vector<RealD> xdim,
GridBase *_grid)
: b_bulk(bulk),
b_xdim(xdim),
grid(_grid),
beta_xdim(grid),
beta_xdim_shifted(grid),
beta_bulk(grid)
{
//check that the grid is ok
//todo
int Ndim = Nd;//change later
LatticeComplex temp(grid);
Lattice<iScalar<vInteger> > coor(grid);
LatticeCoordinate(coor, Ndim - 1);
int Nex = grid->_fdimensions[Ndim - 1];
assert(b_bulk.size() == Nex);
assert(b_xdim.size() == Nex);
beta_xdim = zero;
for (int tau = 0; tau < Nex; tau++) {
temp = b_xdim[tau];
beta_xdim = where(coor == tau, temp, beta_xdim);
}
beta_xdim_shifted = Cshift(beta_xdim, Ndim - 1, -1);
beta_bulk = zero;
for (int tau = 0; tau < Nex; tau++) {
temp = b_bulk[tau];
beta_bulk = where(coor == tau, temp, beta_bulk);
}
};
virtual void refresh(const GaugeField &U,
GridParallelRNG &pRNG){}; // noop as no pseudoferms
virtual RealD S(const GaugeField &Umu) {
int Ndim = Nd; // change later for generality
conformable(grid, Umu._grid);
std::vector<GaugeLinkField> U(Ndim, grid);
for (int mu = 0; mu < Ndim; mu++) {
U[mu] = PeekIndex<LorentzIndex>(Umu, mu);
}
LatticeComplex dirPlaq(grid);
LatticeComplex Plaq(grid);
RealD OneOnNc = 1.0 / Real(Nc);
/////////////
// Lower dim plaquettes
/////////////
Plaq = zero;
for (int mu = 1; mu < Ndim - 1; mu++) {
for (int nu = 0; nu < mu; nu++) {
WilsonLoops<Gimpl>::traceDirPlaquette(dirPlaq, U, mu, nu);
Plaq = Plaq + (1.0 - dirPlaq * OneOnNc) * beta_bulk;
}
}
/////////////
// Extra dimension
/////////////
{
int mu = Ndim - 1;
for (int nu = 0; nu < mu; nu++) {
WilsonLoops<Gimpl>::traceDirPlaquette(dirPlaq, U, mu, nu);
Plaq = Plaq + (1.0 - dirPlaq * OneOnNc) * beta_xdim;
}
}
TComplex Tp = sum(Plaq);
Complex p = TensorRemove(Tp);
RealD action = p.real();
return action;
};
virtual void deriv(const GaugeField &U, GaugeField &dSdU) {
// not optimal implementation FIXME
// extend Ta to include Lorentz indexes
// for the higher dimension plaquettes take the upper plaq of the
// 4d slice and multiply by beta[s] and the lower and multiply by beta[s-1]
// todo
// derivative of links mu = 0, ... Nd-1 inside plaq (mu,5)
// for these I need upper and lower staples separated
// each multiplied with their own beta
// derivative of links mu = 5
// living on the same slice, share the same beta
conformable(grid,U._grid);
int Ndim = Nd; // change later
RealD factor = 0.5 / RealD(Nc);
GaugeLinkField Umu(grid);
GaugeLinkField dSdU_mu(grid);
GaugeLinkField staple(grid);
for (int mu = 0; mu < Ndim; mu++) {
Umu = PeekIndex<LorentzIndex>(U, mu);
dSdU_mu = zero;
for (int nu = 0; nu < Ndim; nu++) {
if (nu != mu) {
if ((mu < (Ndim - 1)) && (nu < (Ndim - 1))) {
// Spacelike case apply beta space
WilsonLoops<Gimpl>::Staple(staple, U, mu, nu);
staple = staple * beta_bulk;
dSdU_mu += staple;
} else if (mu == (Ndim - 1)) {
// nu space; mu time link
assert(nu < (Ndim - 1));
assert(mu == (Ndim - 1));
// mu==tau dir link deriv, nu spatial
WilsonLoops<Gimpl>::Staple(staple, U, mu, nu);
staple = staple * beta_xdim;
dSdU_mu += staple;
} else {
assert(mu < (Ndim - 1));
assert(nu == (Ndim - 1));
// nu time; mu space link
// staple forwards in tau
WilsonLoops<Gimpl>::StapleUpper(staple, U, mu, nu);
staple = staple * beta_xdim;
dSdU_mu += staple;
// staple backwards in tau
WilsonLoops<Gimpl>::StapleLower(staple, U, mu, nu);
staple = staple * beta_xdim_shifted;
dSdU_mu += staple;
}
}
}
dSdU_mu = Ta(Umu * dSdU_mu) * factor;
PokeIndex<LorentzIndex>(dSdU, dSdU_mu, mu);
}
};
};
}
}

107
lib/qcd/hmc/UsingHMC.md Normal file
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@ -0,0 +1,107 @@
Using HMC in Grid version 0.5.1
These are the instructions to use the Generalised HMC on Grid version 0.5.1.
Disclaimer: GRID is still under active development so any information here can be changed in future releases.
Command line options
===================
(relevant file GenericHMCrunner.h)
The initial configuration can be changed at the command line using
--StartType <your choice>
valid choices, one among these
HotStart, ColdStart, TepidStart, CheckpointStart
default: HotStart
example
./My_hmc_exec --StartType HotStart
The CheckpointStart option uses the prefix for the configurations and rng seed files defined in your executable and the initial configuration is specified by
--StartTrajectory <integer>
default: 0
The number of trajectories for a specific run are specified at command line by
--Trajectories <integer>
default: 1
The number of thermalization steps (i.e. steps when the Metropolis acceptance check is turned off) is specified by
--Thermalizations <integer>
default: 10
Any other parameter is defined in the source for the executable.
HMC controls
===========
The lines
std::vector<int> SerSeed({1, 2, 3, 4, 5});
std::vector<int> ParSeed({6, 7, 8, 9, 10});
define the seeds for the serial and the parallel RNG.
The line
TheHMC.MDparameters.set(20, 1.0);// MDsteps, traj length
declares the number of molecular dynamics steps and the total trajectory length.
Actions
======
Action names are defined in the file
lib/qcd/Actions.h
Gauge actions list:
WilsonGaugeActionR;
WilsonGaugeActionF;
WilsonGaugeActionD;
PlaqPlusRectangleActionR;
PlaqPlusRectangleActionF;
PlaqPlusRectangleActionD;
IwasakiGaugeActionR;
IwasakiGaugeActionF;
IwasakiGaugeActionD;
SymanzikGaugeActionR;
SymanzikGaugeActionF;
SymanzikGaugeActionD;
ConjugateWilsonGaugeActionR;
ConjugateWilsonGaugeActionF;
ConjugateWilsonGaugeActionD;
ConjugatePlaqPlusRectangleActionR;
ConjugatePlaqPlusRectangleActionF;
ConjugatePlaqPlusRectangleActionD;
ConjugateIwasakiGaugeActionR;
ConjugateIwasakiGaugeActionF;
ConjugateIwasakiGaugeActionD;
ConjugateSymanzikGaugeActionR;
ConjugateSymanzikGaugeActionF;
ConjugateSymanzikGaugeActionD;
ScalarActionR;
ScalarActionF;
ScalarActionD;
each of these action accept one single parameter at creation time (beta).
Example for creating a Symanzik action with beta=4.0
SymanzikGaugeActionR(4.0)
The suffixes R,F,D in the action names refer to the Real
(the precision is defined at compile time by the --enable-precision flag in the configure),
Float and Double, that force the precision of the action to be 32, 64 bit respectively.

43
lib/qcd/utils/WilsonLoops.h
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@ -86,8 +86,7 @@ public:
// sum over all x,y,z,t and over all planes of plaquette
//////////////////////////////////////////////////
static RealD sumPlaquette(const GaugeLorentz &Umu) {
std::vector<GaugeMat> U(4, Umu._grid);
std::vector<GaugeMat> U(Nd, Umu._grid);
for (int mu = 0; mu < Nd; mu++) {
U[mu] = PeekIndex<LorentzIndex>(Umu, mu);
}
@ -95,11 +94,12 @@ public:
LatticeComplex Plaq(Umu._grid);
sitePlaquette(Plaq, U);
TComplex Tp = sum(Plaq);
Complex p = TensorRemove(Tp);
return p.real();
}
//////////////////////////////////////////////////
// average over all x,y,z,t and over all planes of plaquette
//////////////////////////////////////////////////
@ -114,7 +114,7 @@ public:
// average over traced single links
//////////////////////////////////////////////////
static RealD linkTrace(const GaugeLorentz &Umu) {
std::vector<GaugeMat> U(4, Umu._grid);
std::vector<GaugeMat> U(Nd, Umu._grid);
LatticeComplex Tr(Umu._grid);
Tr = zero;
@ -139,7 +139,7 @@ public:
GridBase *grid = Umu._grid;
std::vector<GaugeMat> U(4, grid);
std::vector<GaugeMat> U(Nd, grid);
for (int d = 0; d < Nd; d++) {
U[d] = PeekIndex<LorentzIndex>(Umu, d);
}
@ -233,7 +233,7 @@ public:
if (nu != mu) {
GridBase *grid = Umu._grid;
std::vector<GaugeMat> U(4, grid);
std::vector<GaugeMat> U(Nd, grid);
for (int d = 0; d < Nd; d++) {
U[d] = PeekIndex<LorentzIndex>(Umu, d);
}
@ -256,6 +256,37 @@ public:
}
}
//////////////////////////////////////////////////
// the sum over all staples on each site in direction mu,nu, lower part
//////////////////////////////////////////////////
static void StapleLower(GaugeMat &staple, const GaugeLorentz &Umu, int mu,
int nu) {
staple = zero;
if (nu != mu) {
GridBase *grid = Umu._grid;
std::vector<GaugeMat> U(Nd, grid);
for (int d = 0; d < Nd; d++) {
U[d] = PeekIndex<LorentzIndex>(Umu, d);
}
// mu
// ^
// |__> nu
// __
// |
// |__
//
//
staple += Gimpl::ShiftStaple(
Gimpl::CovShiftBackward(U[nu], nu,
Gimpl::CovShiftBackward(U[mu], mu, U[nu])),
mu);
}
}
//////////////////////////////////////////////////////
// Similar to above for rectangle is required
//////////////////////////////////////////////////////

7
tests/hmc/Make.inc
View File

@ -1,5 +1,5 @@
tests: Test_hmc_EODWFRatio_Binary Test_hmc_EODWFRatio Test_hmc_EODWFRatio_Gparity Test_hmc_EOWilsonFermionGauge Test_hmc_EOWilsonRatio Test_hmc_GparityIwasakiGauge Test_hmc_GparityWilsonGauge Test_hmc_IwasakiGauge Test_hmc_RectGauge Test_hmc_ScalarAction Test_hmc_WilsonAdjointFermionGauge Test_hmc_WilsonFermionGauge_Binary Test_hmc_WilsonFermionGauge Test_hmc_WilsonGauge Test_hmc_WilsonMixedRepresentationsFermionGauge Test_hmc_WilsonRatio Test_hmc_WilsonTwoIndexSymmetricFermionGauge Test_multishift_sqrt Test_remez Test_rhmc_EOWilson1p1 Test_rhmc_EOWilsonRatio Test_rhmc_Wilson1p1 Test_rhmc_WilsonRatio
EXTRA_PROGRAMS = Test_hmc_EODWFRatio_Binary Test_hmc_EODWFRatio Test_hmc_EODWFRatio_Gparity Test_hmc_EOWilsonFermionGauge Test_hmc_EOWilsonRatio Test_hmc_GparityIwasakiGauge Test_hmc_GparityWilsonGauge Test_hmc_IwasakiGauge Test_hmc_RectGauge Test_hmc_ScalarAction Test_hmc_WilsonAdjointFermionGauge Test_hmc_WilsonFermionGauge_Binary Test_hmc_WilsonFermionGauge Test_hmc_WilsonGauge Test_hmc_WilsonMixedRepresentationsFermionGauge Test_hmc_WilsonRatio Test_hmc_WilsonTwoIndexSymmetricFermionGauge Test_multishift_sqrt Test_remez Test_rhmc_EOWilson1p1 Test_rhmc_EOWilsonRatio Test_rhmc_Wilson1p1 Test_rhmc_WilsonRatio
tests: Test_hmc_EODWFRatio_Binary Test_hmc_EODWFRatio Test_hmc_EODWFRatio_Gparity Test_hmc_EOWilsonFermionGauge Test_hmc_EOWilsonRatio Test_hmc_GparityIwasakiGauge Test_hmc_GparityWilsonGauge Test_hmc_IwasakiGauge Test_hmc_RectGauge Test_hmc_ScalarAction Test_hmc_WilsonAdjointFermionGauge Test_hmc_WilsonFermionGauge_Binary Test_hmc_WilsonFermionGauge Test_hmc_WilsonGauge_Binary Test_hmc_WilsonGauge Test_hmc_WilsonMixedRepresentationsFermionGauge Test_hmc_WilsonRatio Test_hmc_WilsonTwoIndexSymmetricFermionGauge Test_multishift_sqrt Test_remez Test_rhmc_EOWilson1p1 Test_rhmc_EOWilsonRatio Test_rhmc_Wilson1p1 Test_rhmc_WilsonRatio
EXTRA_PROGRAMS = Test_hmc_EODWFRatio_Binary Test_hmc_EODWFRatio Test_hmc_EODWFRatio_Gparity Test_hmc_EOWilsonFermionGauge Test_hmc_EOWilsonRatio Test_hmc_GparityIwasakiGauge Test_hmc_GparityWilsonGauge Test_hmc_IwasakiGauge Test_hmc_RectGauge Test_hmc_ScalarAction Test_hmc_WilsonAdjointFermionGauge Test_hmc_WilsonFermionGauge_Binary Test_hmc_WilsonFermionGauge Test_hmc_WilsonGauge_Binary Test_hmc_WilsonGauge Test_hmc_WilsonMixedRepresentationsFermionGauge Test_hmc_WilsonRatio Test_hmc_WilsonTwoIndexSymmetricFermionGauge Test_multishift_sqrt Test_remez Test_rhmc_EOWilson1p1 Test_rhmc_EOWilsonRatio Test_rhmc_Wilson1p1 Test_rhmc_WilsonRatio
Test_hmc_EODWFRatio_Binary_SOURCES=Test_hmc_EODWFRatio_Binary.cc
Test_hmc_EODWFRatio_Binary_LDADD=-lGrid
@ -40,6 +40,9 @@ Test_hmc_WilsonFermionGauge_Binary_LDADD=-lGrid
Test_hmc_WilsonFermionGauge_SOURCES=Test_hmc_WilsonFermionGauge.cc
Test_hmc_WilsonFermionGauge_LDADD=-lGrid
Test_hmc_WilsonGauge_Binary_SOURCES=Test_hmc_WilsonGauge_Binary.cc
Test_hmc_WilsonGauge_Binary_LDADD=-lGrid
Test_hmc_WilsonGauge_SOURCES=Test_hmc_WilsonGauge.cc
Test_hmc_WilsonGauge_LDADD=-lGrid

10
tests/hmc/Test_hmc_EODWFRatio_Binary.cc
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@ -78,7 +78,8 @@ class HmcRunner : public BinaryHmcRunner {
LatticeGaugeField U(UGrid);
// Gauge action
IwasakiGaugeActionR Iaction(4.0);
double beta = 4.0;
IwasakiGaugeActionR Iaction(beta);
Real mass = 0.04;
Real pv = 1.0;
@ -87,7 +88,9 @@ class HmcRunner : public BinaryHmcRunner {
FermionAction DenOp(U,*FGrid,*FrbGrid,*UGrid,*UrbGrid,mass,M5,scale);
FermionAction NumOp(U,*FGrid,*FrbGrid,*UGrid,*UrbGrid,pv,M5,scale);
ConjugateGradient<FermionField> CG(1.0e-8,10000);
double StoppingCondition = 1.0e-8;
double MaxCGIterations = 10000;
ConjugateGradient<FermionField> CG(StoppingCondition,MaxCGIterations);
TwoFlavourEvenOddRatioPseudoFermionAction<ImplPolicy> Nf2(NumOp, DenOp,CG,CG);
// Set smearing (true/false), default: false
@ -98,6 +101,9 @@ class HmcRunner : public BinaryHmcRunner {
ActionLevel<Field> Level1(1);
Level1.push_back(&Nf2);
// this level will integrate with a
// step that is 4 times finer
// than the previous level
ActionLevel<Field> Level2(4);
Level2.push_back(&Iaction);

136
tests/hmc/Test_hmc_WilsonGauge_Binary.cc Normal file
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@ -0,0 +1,136 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./tests/Test_hmc_WilsonFermionGauge.cc
Copyright (C) 2015
Author: Peter Boyle <pabobyle@ph.ed.ac.uk>
Author: neo <cossu@post.kek.jp>
Author: Guido Cossu <guido.cossu@ed.ac.uk>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
See the full license in the file "LICENSE" in the top level distribution
directory
*************************************************************************************/
/* END LEGAL */
#include <Grid/Grid.h>
using namespace std;
using namespace Grid;
using namespace Grid::QCD;
namespace Grid {
namespace QCD {
class HMCRunnerParameters : Serializable {
public:
GRID_SERIALIZABLE_CLASS_MEMBERS(HMCRunnerParameters,
double, beta,
double, mass,
int, MaxCGIterations,
double, StoppingCondition,
bool, smearedAction,
int, SaveInterval,
std::string, format,
std::string, conf_prefix,
std::string, rng_prefix,
double, rho,
int, SmearingLevels,
);
HMCRunnerParameters() {}
};
// Derive from the BinaryHmcRunner (templated for gauge fields)
class HmcRunner : public BinaryHmcRunner {
public:
void BuildTheAction(int argc, char **argv)
{
typedef WilsonImplR ImplPolicy;
typedef WilsonFermionR FermionAction;
typedef typename FermionAction::FermionField FermionField;
UGrid = SpaceTimeGrid::makeFourDimGrid(
GridDefaultLatt(), GridDefaultSimd(Nd, vComplex::Nsimd()),
GridDefaultMpi());
UrbGrid = SpaceTimeGrid::makeFourDimRedBlackGrid(UGrid);
FGrid = UGrid;
FrbGrid = UrbGrid;
// temporarily need a gauge field
LatticeGaugeField U(UGrid);
// Gauge action
int Ls = UGrid->_gdimensions[Nd - 1];
std::vector<RealD> betat(Ls,5);
std::vector<RealD> betas(Ls);
betas={5,6,6,5};
std:cout << "Betas:" << betas << std::endl;
VariableWilsonGaugeActionR Waction(betas, betat, UGrid);
//WilsonGaugeActionR Waction(5.6);
// Collect actions
ActionLevel<Field> Level1(1);
Level1.push_back(&Waction);
TheAction.push_back(Level1);
// Add observables
int SaveInterval = 1;
std::string format = std::string("IEEE64BIG");
std::string conf_prefix = std::string("ckpoint_lat");
std::string rng_prefix = std::string("ckpoint_rng");
BinaryHmcCheckpointer<BinaryHmcRunner::ImplPolicy> Checkpoint(
conf_prefix, rng_prefix, SaveInterval, format);
// Can implement also a specific function in the hmcrunner
// AddCheckpoint (...) that takes the same parameters + a string/tag
// defining the type of the checkpointer
// with tags can be implemented by overloading and no ifs
// Then force all checkpoint to have few common functions
// return an object that is then passed to the Run function
PlaquetteLogger<BinaryHmcRunner::ImplPolicy> PlaqLog(
std::string("Plaquette"));
ObservablesList.push_back(&PlaqLog);
ObservablesList.push_back(&Checkpoint);
Run(argc, argv, Checkpoint); // no smearing
};
};
}
}
int main(int argc, char **argv) {
Grid_init(&argc, &argv);
int threads = GridThread::GetThreads();
std::cout << GridLogMessage << "Grid is setup to use " << threads
<< " threads" << std::endl;
HmcRunner TheHMC;
// Seeds for the random number generators
std::vector<int> SerSeed({1, 2, 3, 4, 5});
std::vector<int> ParSeed({6, 7, 8, 9, 10});
TheHMC.RNGSeeds(SerSeed, ParSeed);
TheHMC.MDparameters.set(20, 1.0);// MDsteps, traj length
TheHMC.BuildTheAction(argc, argv);
}