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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;

290
lib/qcd/action/gauge/WilsonGaugeAction.h
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@ -1,86 +1,260 @@
/*************************************************************************************
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Grid physics library, www.github.com/paboyle/Grid
Source file: ./lib/qcd/action/gauge/WilsonGaugeAction.h
Source file: ./lib/qcd/action/gauge/WilsonGaugeAction.h
Copyright (C) 2015
Copyright (C) 2015
Author: Azusa Yamaguchi <ayamaguc@staffmail.ed.ac.uk>
Author: Peter Boyle <paboyle@ph.ed.ac.uk>
Author: neo <cossu@post.kek.jp>
Author: paboyle <paboyle@ph.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 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.
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.
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 */
See the full license in the file "LICENSE" in the top level distribution
directory
*************************************************************************************/
/* END LEGAL */
#ifndef QCD_WILSON_GAUGE_ACTION_H
#define QCD_WILSON_GAUGE_ACTION_H
namespace Grid{
namespace QCD{
////////////////////////////////////////////////////////////////////////
// Wilson Gauge Action .. should I template the Nc etc..
////////////////////////////////////////////////////////////////////////
template<class Gimpl>
class WilsonGaugeAction : public Action<typename Gimpl::GaugeField> {
public:
namespace Grid {
namespace QCD {
INHERIT_GIMPL_TYPES(Gimpl);
////////////////////////////////////////////////////////////////////////
// Wilson Gauge Action .. should I template the Nc etc..
////////////////////////////////////////////////////////////////////////
template <class Gimpl>
class WilsonGaugeAction : public Action<typename Gimpl::GaugeField> {
public:
INHERIT_GIMPL_TYPES(Gimpl);
// typedef LorentzScalar<GaugeField> GaugeLinkField;
// typedef LorentzScalar<GaugeField> GaugeLinkField;
private:
RealD beta;
public:
WilsonGaugeAction(RealD b):beta(b){};
private:
RealD beta;
public:
WilsonGaugeAction(RealD b) : beta(b){};
virtual void refresh(const GaugeField &U,
GridParallelRNG &pRNG){}; // noop as no pseudoferms
virtual RealD S(const GaugeField &U) {
RealD plaq = WilsonLoops<Gimpl>::avgPlaquette(U);
RealD vol = U._grid->gSites();
RealD action = beta * (1.0 - plaq) * (Nd * (Nd - 1.0)) * vol * 0.5;
return action;
};
virtual void deriv(const GaugeField &U, GaugeField &dSdU) {
// not optimal implementation FIXME
// extend Ta to include Lorentz indexes
// RealD factor = 0.5*beta/RealD(Nc);
RealD factor = 0.5 * beta / RealD(Nc);
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;
virtual void refresh(const GaugeField &U, GridParallelRNG& pRNG) {}; // noop as no pseudoferms
virtual RealD S(const GaugeField &U) {
RealD plaq = WilsonLoops<Gimpl>::avgPlaquette(U);
RealD vol = U._grid->gSites();
RealD action=beta*(1.0 -plaq)*(Nd*(Nd-1.0))*vol*0.5;
return action;
};
PokeIndex<LorentzIndex>(dSdU, dSdU_mu, mu);
}
};
};
virtual void deriv(const GaugeField &U,GaugeField & dSdU) {
//not optimal implementation FIXME
//extend Ta to include Lorentz indexes
template <class Gimpl>
class VariableWilsonGaugeAction : public Action<typename Gimpl::GaugeField> {
public:
INHERIT_GIMPL_TYPES(Gimpl);
//RealD factor = 0.5*beta/RealD(Nc);
RealD factor = 0.5*beta/RealD(Nc);
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;
GaugeLinkField Umu(U._grid);
GaugeLinkField dSdU_mu(U._grid);
for (int mu=0; mu < Nd; mu++){
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
Umu = PeekIndex<LorentzIndex>(U,mu);
LatticeComplex temp(grid);
// Staple in direction mu
WilsonLoops<Gimpl>::Staple(dSdU_mu,U,mu);
dSdU_mu = Ta(Umu*dSdU_mu)*factor;
PokeIndex<LorentzIndex>(dSdU, dSdU_mu, mu);
}
};
};
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);
}
};
};
}
}
#endif

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.

47
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
//////////////////////////////////////////////////////
@ -375,8 +406,8 @@ public:
// |___ ___|
//
// tmp= Staple2x1* Cshift(U[mu],mu,-2);
// Stap+= Cshift(tmp,mu,1) ;
// tmp= Staple2x1* Cshift(U[mu],mu,-2);
// Stap+= Cshift(tmp,mu,1) ;
Stap += Cshift(Staple2x1, mu, 1) * Cshift(U[mu], mu, -1);
;