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Merge branch 'develop' into feature/hadrons

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# Conflicts:
#	lib/qcd/action/scalar/ScalarImpl.h
This commit is contained in:
Antonin Portelli
2017-06-20 15:50:39 +01:00
parent 81b18f843a e9cc21900f
commit 7587df831a
65 changed files with 3010 additions and 1710 deletions
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6
lib/qcd/action/fermion/FermionOperatorImpl.h
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@ -644,19 +644,16 @@ class StaggeredImpl : public PeriodicGaugeImpl<GaugeImplTypes<S, Representation:
INHERIT_GIMPL_TYPES(Gimpl);
template <typename vtype> using iImplScalar = iScalar<iScalar<iScalar<vtype> > >;
template <typename vtype> using iImplSpinor = iScalar<iScalar<iVector<vtype, Dimension> > >;
template <typename vtype> using iImplHalfSpinor = iScalar<iScalar<iVector<vtype, Dimension> > >;
template <typename vtype> using iImplDoubledGaugeField = iVector<iScalar<iMatrix<vtype, Dimension> >, Nds>;
template <typename vtype> using iImplPropagator = iScalar<iScalar<iMatrix<vtype, Dimension> > >;
typedef iImplScalar<Simd> SiteComplex;
typedef iImplSpinor<Simd> SiteSpinor;
typedef iImplHalfSpinor<Simd> SiteHalfSpinor;
typedef iImplDoubledGaugeField<Simd> SiteDoubledGaugeField;
typedef iImplPropagator<Simd> SitePropagator;
typedef Lattice<SiteComplex> ComplexField;
typedef Lattice<SiteSpinor> FermionField;
typedef Lattice<SiteDoubledGaugeField> DoubledGaugeField;
typedef Lattice<SitePropagator> PropagatorField;
@ -775,7 +772,6 @@ class StaggeredImpl : public PeriodicGaugeImpl<GaugeImplTypes<S, Representation:
INHERIT_GIMPL_TYPES(Gimpl);
template <typename vtype> using iImplScalar = iScalar<iScalar<iScalar<vtype> > >;
template <typename vtype> using iImplSpinor = iScalar<iScalar<iVector<vtype, Dimension> > >;
template <typename vtype> using iImplHalfSpinor = iScalar<iScalar<iVector<vtype, Dimension> > >;
template <typename vtype> using iImplDoubledGaugeField = iVector<iScalar<iMatrix<vtype, Dimension> >, Nds>;
@ -792,12 +788,10 @@ class StaggeredImpl : public PeriodicGaugeImpl<GaugeImplTypes<S, Representation:
typedef Lattice<SiteDoubledGaugeField> DoubledGaugeField;
typedef Lattice<SitePropagator> PropagatorField;
typedef iImplScalar<Simd> SiteComplex;
typedef iImplSpinor<Simd> SiteSpinor;
typedef iImplHalfSpinor<Simd> SiteHalfSpinor;
typedef Lattice<SiteComplex> ComplexField;
typedef Lattice<SiteSpinor> FermionField;
typedef SimpleCompressor<SiteSpinor> Compressor;

20
lib/qcd/action/gauge/GaugeImplTypes.h
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@ -40,12 +40,15 @@ namespace QCD {
typedef typename GImpl::Simd Simd; \
typedef typename GImpl::LinkField GaugeLinkField; \
typedef typename GImpl::Field GaugeField; \
typedef typename GImpl::ComplexField ComplexField;\
typedef typename GImpl::SiteField SiteGaugeField; \
typedef typename GImpl::SiteComplex SiteComplex; \
typedef typename GImpl::SiteLink SiteGaugeLink;
#define INHERIT_FIELD_TYPES(Impl) \
typedef typename Impl::Simd Simd; \
typedef typename Impl::SiteField SiteField; \
#define INHERIT_FIELD_TYPES(Impl) \
typedef typename Impl::Simd Simd; \
typedef typename Impl::ComplexField ComplexField; \
typedef typename Impl::SiteField SiteField; \
typedef typename Impl::Field Field;
// hardcodes the exponential approximation in the template
@ -53,14 +56,17 @@ template <class S, int Nrepresentation = Nc, int Nexp = 12 > class GaugeImplType
public:
typedef S Simd;
template <typename vtype> using iImplGaugeLink = iScalar<iScalar<iMatrix<vtype, Nrepresentation>>>;
template <typename vtype> using iImplGaugeField = iVector<iScalar<iMatrix<vtype, Nrepresentation>>, Nd>;
template <typename vtype> using iImplScalar = iScalar<iScalar<iScalar<vtype> > >;
template <typename vtype> using iImplGaugeLink = iScalar<iScalar<iMatrix<vtype, Nrepresentation> > >;
template <typename vtype> using iImplGaugeField = iVector<iScalar<iMatrix<vtype, Nrepresentation> >, Nd>;
typedef iImplScalar<Simd> SiteComplex;
typedef iImplGaugeLink<Simd> SiteLink;
typedef iImplGaugeField<Simd> SiteField;
typedef Lattice<SiteLink> LinkField;
typedef Lattice<SiteField> Field;
typedef Lattice<SiteComplex> ComplexField;
typedef Lattice<SiteLink> LinkField;
typedef Lattice<SiteField> Field;
// Guido: we can probably separate the types from the HMC functions
// this will create 2 kind of implementations

42
lib/qcd/hmc/checkpointers/BinaryCheckpointer.h
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@ -62,36 +62,50 @@ class BinaryHmcCheckpointer : public BaseHmcCheckpointer<Impl> {
fout.close();
}
void TrajectoryComplete(int traj, Field &U, GridSerialRNG &sRNG,
GridParallelRNG &pRNG) {
void TrajectoryComplete(int traj, Field &U, GridSerialRNG &sRNG, GridParallelRNG &pRNG) {
if ((traj % Params.saveInterval) == 0) {
std::string config, rng;
this->build_filenames(traj, Params, config, rng);
BinaryIO::BinarySimpleUnmunger<sobj_double, sobj> munge;
uint32_t nersc_csum;
uint32_t scidac_csuma;
uint32_t scidac_csumb;
BinarySimpleUnmunger<sobj_double, sobj> munge;
truncate(rng);
BinaryIO::writeRNGSerial(sRNG, pRNG, rng, 0);
BinaryIO::writeRNG(sRNG, pRNG, rng, 0,nersc_csum,scidac_csuma,scidac_csumb);
truncate(config);
uint32_t csum = BinaryIO::writeObjectParallel<vobj, sobj_double>(
U, config, munge, 0, Params.format);
BinaryIO::writeLatticeObject<vobj, sobj_double>(U, config, munge, 0, Params.format,
nersc_csum,scidac_csuma,scidac_csumb);
std::cout << GridLogMessage << "Written Binary Configuration " << config
<< " checksum " << std::hex << csum << std::dec << std::endl;
<< " checksum " << std::hex
<< nersc_csum <<"/"
<< scidac_csuma <<"/"
<< scidac_csumb
<< std::dec << std::endl;
}
};
void CheckpointRestore(int traj, Field &U, GridSerialRNG &sRNG,
GridParallelRNG &pRNG) {
void CheckpointRestore(int traj, Field &U, GridSerialRNG &sRNG, GridParallelRNG &pRNG) {
std::string config, rng;
this->build_filenames(traj, Params, config, rng);
BinaryIO::BinarySimpleMunger<sobj_double, sobj> munge;
BinaryIO::readRNGSerial(sRNG, pRNG, rng, 0);
uint32_t csum = BinaryIO::readObjectParallel<vobj, sobj_double>(
U, config, munge, 0, Params.format);
BinarySimpleMunger<sobj_double, sobj> munge;
uint32_t nersc_csum;
uint32_t scidac_csuma;
uint32_t scidac_csumb;
BinaryIO::readRNG(sRNG, pRNG, rng, 0,nersc_csum,scidac_csuma,scidac_csumb);
BinaryIO::readLatticeObject<vobj, sobj_double>(U, config, munge, 0, Params.format,
nersc_csum,scidac_csuma,scidac_csumb);
std::cout << GridLogMessage << "Read Binary Configuration " << config
<< " checksum " << std::hex << csum << std::dec << std::endl;
<< " checksums " << std::hex << nersc_csum<<"/"<<scidac_csuma<<"/"<<scidac_csumb
<< std::dec << std::endl;
};
};
}

38
lib/qcd/hmc/checkpointers/ILDGCheckpointer.h
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@ -54,9 +54,9 @@ class ILDGHmcCheckpointer : public BaseHmcCheckpointer<Implementation> {
// check here that the format is valid
int ieee32big = (Params.format == std::string("IEEE32BIG"));
int ieee32 = (Params.format == std::string("IEEE32"));
int ieee32 = (Params.format == std::string("IEEE32"));
int ieee64big = (Params.format == std::string("IEEE64BIG"));
int ieee64 = (Params.format == std::string("IEEE64"));
int ieee64 = (Params.format == std::string("IEEE64"));
if (!(ieee64big || ieee32 || ieee32big || ieee64)) {
std::cout << GridLogError << "Unrecognized file format " << Params.format
@ -74,13 +74,20 @@ class ILDGHmcCheckpointer : public BaseHmcCheckpointer<Implementation> {
if ((traj % Params.saveInterval) == 0) {
std::string config, rng;
this->build_filenames(traj, Params, config, rng);
ILDGIO IO(config, ILDGwrite);
BinaryIO::writeRNGSerial(sRNG, pRNG, rng, 0);
uint32_t csum = IO.writeConfiguration(U, Params.format);
uint32_t nersc_csum,scidac_csuma,scidac_csumb;
BinaryIO::writeRNG(sRNG, pRNG, rng, 0,nersc_csum,scidac_csuma,scidac_csumb);
IldgWriter _IldgWriter;
_IldgWriter.open(config);
_IldgWriter.writeConfiguration(U, traj, config, config);
_IldgWriter.close();
std::cout << GridLogMessage << "Written ILDG Configuration on " << config
<< " checksum " << std::hex << csum << std::dec << std::endl;
<< " checksum " << std::hex
<< nersc_csum<<"/"
<< scidac_csuma<<"/"
<< scidac_csumb
<< std::dec << std::endl;
}
};
@ -89,12 +96,21 @@ class ILDGHmcCheckpointer : public BaseHmcCheckpointer<Implementation> {
std::string config, rng;
this->build_filenames(traj, Params, config, rng);
ILDGIO IO(config, ILDGread);
BinaryIO::readRNGSerial(sRNG, pRNG, rng, 0);
uint32_t csum = IO.readConfiguration(U); // format from the header
uint32_t nersc_csum,scidac_csuma,scidac_csumb;
BinaryIO::readRNG(sRNG, pRNG, rng, 0,nersc_csum,scidac_csuma,scidac_csumb);
FieldMetaData header;
IldgReader _IldgReader;
_IldgReader.open(config);
_IldgReader.readConfiguration(config,U,header); // format from the header
_IldgReader.close();
std::cout << GridLogMessage << "Read ILDG Configuration from " << config
<< " checksum " << std::hex << csum << std::dec << std::endl;
<< " checksum " << std::hex
<< nersc_csum<<"/"
<< scidac_csuma<<"/"
<< scidac_csumb
<< std::dec << std::endl;
};
};
}

2
lib/qcd/hmc/checkpointers/NerscCheckpointer.h
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@ -70,7 +70,7 @@ class NerscHmcCheckpointer : public BaseHmcCheckpointer<Gimpl> {
std::string config, rng;
this->build_filenames(traj, Params, config, rng);
NerscField header;
FieldMetaData header;
NerscIO::readRNGState(sRNG, pRNG, header, rng);
NerscIO::readConfiguration(U, header, config);
};

188
lib/qcd/utils/GaugeFix.h Normal file
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@ -0,0 +1,188 @@
/*************************************************************************************
grid` physics library, www.github.com/paboyle/Grid
Copyright (C) 2015
Author: Azusa Yamaguchi <ayamaguc@staffmail.ed.ac.uk>
Author: Peter Boyle <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 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 Grid;
using namespace Grid::QCD;
template <class Gimpl>
class FourierAcceleratedGaugeFixer : public Gimpl {
public:
INHERIT_GIMPL_TYPES(Gimpl);
typedef typename Gimpl::GaugeLinkField GaugeMat;
typedef typename Gimpl::GaugeField GaugeLorentz;
static void GaugeLinkToLieAlgebraField(const std::vector<GaugeMat> &U,std::vector<GaugeMat> &A) {
for(int mu=0;mu<Nd;mu++){
Complex cmi(0.0,-1.0);
A[mu] = Ta(U[mu]) * cmi;
}
}
static void DmuAmu(const std::vector<GaugeMat> &A,GaugeMat &dmuAmu) {
dmuAmu=zero;
for(int mu=0;mu<Nd;mu++){
dmuAmu = dmuAmu + A[mu] - Cshift(A[mu],mu,-1);
}
}
static void SteepestDescentGaugeFix(GaugeLorentz &Umu,Real & alpha,int maxiter,Real Omega_tol, Real Phi_tol,bool Fourier=false) {
GridBase *grid = Umu._grid;
Real org_plaq =WilsonLoops<Gimpl>::avgPlaquette(Umu);
Real org_link_trace=WilsonLoops<Gimpl>::linkTrace(Umu);
Real old_trace = org_link_trace;
Real trG;
std::vector<GaugeMat> U(Nd,grid);
GaugeMat dmuAmu(grid);
for(int i=0;i<maxiter;i++){
for(int mu=0;mu<Nd;mu++) U[mu]= PeekIndex<LorentzIndex>(Umu,mu);
if ( Fourier==false ) {
trG = SteepestDescentStep(U,alpha,dmuAmu);
} else {
trG = FourierAccelSteepestDescentStep(U,alpha,dmuAmu);
}
for(int mu=0;mu<Nd;mu++) PokeIndex<LorentzIndex>(Umu,U[mu],mu);
// Monitor progress and convergence test
// infrequently to minimise cost overhead
if ( i %20 == 0 ) {
Real plaq =WilsonLoops<Gimpl>::avgPlaquette(Umu);
Real link_trace=WilsonLoops<Gimpl>::linkTrace(Umu);
if (Fourier)
std::cout << GridLogMessage << "Fourier Iteration "<<i<< " plaq= "<<plaq<< " dmuAmu " << norm2(dmuAmu)<< std::endl;
else
std::cout << GridLogMessage << " Iteration "<<i<< " plaq= "<<plaq<< " dmuAmu " << norm2(dmuAmu)<< std::endl;
Real Phi = 1.0 - old_trace / link_trace ;
Real Omega= 1.0 - trG;
std::cout << GridLogMessage << " Iteration "<<i<< " Phi= "<<Phi<< " Omega= " << Omega<< " trG " << trG <<std::endl;
if ( (Omega < Omega_tol) && ( ::fabs(Phi) < Phi_tol) ) {
std::cout << GridLogMessage << "Converged ! "<<std::endl;
return;
}
old_trace = link_trace;
}
}
};
static Real SteepestDescentStep(std::vector<GaugeMat> &U,Real & alpha, GaugeMat & dmuAmu) {
GridBase *grid = U[0]._grid;
std::vector<GaugeMat> A(Nd,grid);
GaugeMat g(grid);
GaugeLinkToLieAlgebraField(U,A);
ExpiAlphaDmuAmu(A,g,alpha,dmuAmu);
Real vol = grid->gSites();
Real trG = TensorRemove(sum(trace(g))).real()/vol/Nc;
SU<Nc>::GaugeTransform(U,g);
return trG;
}
static Real FourierAccelSteepestDescentStep(std::vector<GaugeMat> &U,Real & alpha, GaugeMat & dmuAmu) {
GridBase *grid = U[0]._grid;
Real vol = grid->gSites();
FFT theFFT((GridCartesian *)grid);
LatticeComplex Fp(grid);
LatticeComplex psq(grid); psq=zero;
LatticeComplex pmu(grid);
LatticeComplex one(grid); one = Complex(1.0,0.0);
GaugeMat g(grid);
GaugeMat dmuAmu_p(grid);
std::vector<GaugeMat> A(Nd,grid);
GaugeLinkToLieAlgebraField(U,A);
DmuAmu(A,dmuAmu);
theFFT.FFT_all_dim(dmuAmu_p,dmuAmu,FFT::forward);
//////////////////////////////////
// Work out Fp = psq_max/ psq...
//////////////////////////////////
std::vector<int> latt_size = grid->GlobalDimensions();
std::vector<int> coor(grid->_ndimension,0);
for(int mu=0;mu<Nd;mu++) {
Real TwoPiL = M_PI * 2.0/ latt_size[mu];
LatticeCoordinate(pmu,mu);
pmu = TwoPiL * pmu ;
psq = psq + 4.0*sin(pmu*0.5)*sin(pmu*0.5);
}
Complex psqMax(16.0);
Fp = psqMax*one/psq;
/*
static int once;
if ( once == 0 ) {
std::cout << " Fp " << Fp <<std::endl;
once ++;
}*/
pokeSite(TComplex(1.0),Fp,coor);
dmuAmu_p = dmuAmu_p * Fp;
theFFT.FFT_all_dim(dmuAmu,dmuAmu_p,FFT::backward);
GaugeMat ciadmam(grid);
Complex cialpha(0.0,-alpha);
ciadmam = dmuAmu*cialpha;
SU<Nc>::taExp(ciadmam,g);
Real trG = TensorRemove(sum(trace(g))).real()/vol/Nc;
SU<Nc>::GaugeTransform(U,g);
return trG;
}
static void ExpiAlphaDmuAmu(const std::vector<GaugeMat> &A,GaugeMat &g,Real & alpha, GaugeMat &dmuAmu) {
GridBase *grid = g._grid;
Complex cialpha(0.0,-alpha);
GaugeMat ciadmam(grid);
DmuAmu(A,dmuAmu);
ciadmam = dmuAmu*cialpha;
SU<Nc>::taExp(ciadmam,g);
}
};

3
lib/qcd/utils/Utils.h
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@ -12,7 +12,4 @@
#include <Grid/qcd/utils/SUnAdjoint.h>
#include <Grid/qcd/utils/SUnTwoIndex.h>
#endif

34
lib/qcd/utils/WilsonLoops.h
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@ -73,7 +73,7 @@ public:
//////////////////////////////////////////////////
// trace of directed plaquette oriented in mu,nu plane
//////////////////////////////////////////////////
static void traceDirPlaquette(LatticeComplex &plaq,
static void traceDirPlaquette(ComplexField &plaq,
const std::vector<GaugeMat> &U, const int mu,
const int nu) {
GaugeMat sp(U[0]._grid);
@ -83,9 +83,9 @@ public:
//////////////////////////////////////////////////
// sum over all planes of plaquette
//////////////////////////////////////////////////
static void sitePlaquette(LatticeComplex &Plaq,
static void sitePlaquette(ComplexField &Plaq,
const std::vector<GaugeMat> &U) {
LatticeComplex sitePlaq(U[0]._grid);
ComplexField sitePlaq(U[0]._grid);
Plaq = zero;
for (int mu = 1; mu < Nd; mu++) {
for (int nu = 0; nu < mu; nu++) {
@ -104,11 +104,11 @@ public:
U[mu] = PeekIndex<LorentzIndex>(Umu, mu);
}
LatticeComplex Plaq(Umu._grid);
ComplexField Plaq(Umu._grid);
sitePlaquette(Plaq, U);
TComplex Tp = sum(Plaq);
Complex p = TensorRemove(Tp);
auto Tp = sum(Plaq);
auto p = TensorRemove(Tp);
return p.real();
}
@ -129,15 +129,15 @@ public:
static RealD linkTrace(const GaugeLorentz &Umu) {
std::vector<GaugeMat> U(Nd, Umu._grid);
LatticeComplex Tr(Umu._grid);
ComplexField Tr(Umu._grid);
Tr = zero;
for (int mu = 0; mu < Nd; mu++) {
U[mu] = PeekIndex<LorentzIndex>(Umu, mu);
Tr = Tr + trace(U[mu]);
}
TComplex Tp = sum(Tr);
Complex p = TensorRemove(Tp);
auto Tp = sum(Tr);
auto p = TensorRemove(Tp);
double vol = Umu._grid->gSites();
@ -355,8 +355,8 @@ static void StapleMult(GaugeMat &staple, const GaugeLorentz &Umu, int mu) {
double coeff = 8.0/(32.0*M_PI*M_PI);
LatticeComplex qfield = coeff*trace(Bx*Ex + By*Ey + Bz*Ez);
TComplex Tq = sum(qfield);
ComplexField qfield = coeff*trace(Bx*Ex + By*Ey + Bz*Ez);
auto Tq = sum(qfield);
return TensorRemove(Tq).real();
}
@ -375,16 +375,16 @@ static void StapleMult(GaugeMat &staple, const GaugeLorentz &Umu, int mu) {
adj(Gimpl::CovShiftForward(
U[nu], nu, Gimpl::CovShiftForward(U[nu], nu, U[mu])));
}
static void traceDirRectangle(LatticeComplex &rect,
static void traceDirRectangle(ComplexField &rect,
const std::vector<GaugeMat> &U, const int mu,
const int nu) {
GaugeMat sp(U[0]._grid);
dirRectangle(sp, U, mu, nu);
rect = trace(sp);
}
static void siteRectangle(LatticeComplex &Rect,
static void siteRectangle(ComplexField &Rect,
const std::vector<GaugeMat> &U) {
LatticeComplex siteRect(U[0]._grid);
ComplexField siteRect(U[0]._grid);
Rect = zero;
for (int mu = 1; mu < Nd; mu++) {
for (int nu = 0; nu < mu; nu++) {
@ -404,12 +404,12 @@ static void StapleMult(GaugeMat &staple, const GaugeLorentz &Umu, int mu) {
U[mu] = PeekIndex<LorentzIndex>(Umu, mu);
}
LatticeComplex Rect(Umu._grid);
ComplexField Rect(Umu._grid);
siteRectangle(Rect, U);
TComplex Tp = sum(Rect);
Complex p = TensorRemove(Tp);
auto Tp = sum(Rect);
auto p = TensorRemove(Tp);
return p.real();
}
//////////////////////////////////////////////////