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Merge branch 'develop' into feature/distil

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* develop: (29 commits)
  precision fix
  Updates after review with Peter.
  Wilson clover multi grid for lime lattice
  Recommendations for Traits classes
  Hadrons: uninitialised pointer fix (might have been harmless)
  Hadrons: beware of the nasty uninitialised twists
  Smearing test. Test on free field.
  Smearing for quark observables
  Smearing
  Hadrons: XML validator utility
  display relative norm during field IO norm check
  possibility to set a build number
  IO norm check on relative norm
  Output field norm check during IO
  Hadrons: random vector utility module I/O
  quieter initialisation
  fix patch command for eigen in bootstrap.sh
  Mres changes and gauge xform mat changes
  Hadrons: 32 bit I/O directly in Lanczos module
  Hadrons: copyright update
  ...

# Conflicts:
#	Grid/tensors/Tensor_traits.h
#	Hadrons/Modules.hpp
#	Hadrons/modules.inc
This commit is contained in:
Michael Marshall
2019-03-20 10:35:36 +00:00
parent 24cf3b9df5 d921a99b1a
commit 11dded61e8
204 changed files with 1740 additions and 2122 deletions
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87
Grid/qcd/utils/CovariantSmearing.h Normal file
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@ -0,0 +1,87 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./lib/qcd/action/scalar/CovariantLaplacian.h
Copyright (C) 2016
Author: Azusa Yamaguchi
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
*************************************************************************************/
#pragma once
namespace Grid {
namespace QCD {
template <class Gimpl> class CovariantSmearing : public Gimpl
{
public:
INHERIT_GIMPL_TYPES(Gimpl);
typedef typename Gimpl::GaugeLinkField GaugeMat;
typedef typename Gimpl::GaugeField GaugeLorentz;
template<typename T>
static void GaussianSmear(const std::vector<LatticeColourMatrix>& U,
T& chi,
const Real& width, int Iterations, int orthog)
{
GridBase *grid = chi._grid;
T psi(grid);
////////////////////////////////////////////////////////////////////////////////////
// Follow Chroma conventions for width to keep compatibility with previous data
// Free field iterates
// chi = (1 - w^2/4N p^2)^N chi
//
// ~ (e^(-w^2/4N p^2)^N chi
// ~ (e^(-w^2/4 p^2) chi
// ~ (e^(-w'^2/2 p^2) chi [ w' = w/sqrt(2) ]
//
// Which in coordinate space is proportional to
//
// e^(-x^2/w^2) = e^(-x^2/2w'^2)
//
// The 4 is a bit unconventional from Gaussian width perspective, but... it's Chroma convention.
// 2nd derivative approx d^2/dx^2 = x+mu + x-mu - 2x
//
// d^2/dx^2 = - p^2
//
// chi = ( 1 + w^2/4N d^2/dx^2 )^N chi
//
////////////////////////////////////////////////////////////////////////////////////
Real coeff = (width*width) / Real(4*Iterations);
int dims = Nd;
if( orthog < Nd ) dims=Nd-1;
for(int n = 0; n < Iterations; ++n) {
psi = (-2.0*dims)*chi;
for(int mu=0;mu<Nd;mu++) {
if ( mu != orthog ) {
psi = psi + Gimpl::CovShiftForward(U[mu],mu,chi);
psi = psi + Gimpl::CovShiftBackward(U[mu],mu,chi);
}
}
chi = chi + coeff*psi;
}
}
};
}}

31
Grid/qcd/utils/GaugeFix.h
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@ -53,21 +53,32 @@ class FourierAcceleratedGaugeFixer : public Gimpl {
}
static void SteepestDescentGaugeFix(GaugeLorentz &Umu,Real & alpha,int maxiter,Real Omega_tol, Real Phi_tol,bool Fourier=false) {
GridBase *grid = Umu._grid;
GaugeMat xform(grid);
SteepestDescentGaugeFix(Umu,xform,alpha,maxiter,Omega_tol,Phi_tol,Fourier);
}
static void SteepestDescentGaugeFix(GaugeLorentz &Umu,GaugeMat &xform,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;
xform=1.0;
std::vector<GaugeMat> U(Nd,grid);
GaugeMat dmuAmu(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);
trG = SteepestDescentStep(U,xform,alpha,dmuAmu);
} else {
trG = FourierAccelSteepestDescentStep(U,alpha,dmuAmu);
trG = FourierAccelSteepestDescentStep(U,xform,alpha,dmuAmu);
}
for(int mu=0;mu<Nd;mu++) PokeIndex<LorentzIndex>(Umu,U[mu],mu);
// Monitor progress and convergence test
@ -84,7 +95,6 @@ class FourierAcceleratedGaugeFixer : public Gimpl {
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;
@ -96,7 +106,7 @@ class FourierAcceleratedGaugeFixer : public Gimpl {
}
}
};
static Real SteepestDescentStep(std::vector<GaugeMat> &U,Real & alpha, GaugeMat & dmuAmu) {
static Real SteepestDescentStep(std::vector<GaugeMat> &U,GaugeMat &xform,Real & alpha, GaugeMat & dmuAmu) {
GridBase *grid = U[0]._grid;
std::vector<GaugeMat> A(Nd,grid);
@ -109,12 +119,13 @@ class FourierAcceleratedGaugeFixer : public Gimpl {
Real vol = grid->gSites();
Real trG = TensorRemove(sum(trace(g))).real()/vol/Nc;
xform = g*xform ;
SU<Nc>::GaugeTransform(U,g);
return trG;
}
static Real FourierAccelSteepestDescentStep(std::vector<GaugeMat> &U,Real & alpha, GaugeMat & dmuAmu) {
static Real FourierAccelSteepestDescentStep(std::vector<GaugeMat> &U,GaugeMat &xform,Real & alpha, GaugeMat & dmuAmu) {
GridBase *grid = U[0]._grid;
@ -153,13 +164,6 @@ class FourierAcceleratedGaugeFixer : public Gimpl {
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;
@ -173,6 +177,7 @@ class FourierAcceleratedGaugeFixer : public Gimpl {
Real trG = TensorRemove(sum(trace(g))).real()/vol/Nc;
xform = g*xform ;
SU<Nc>::GaugeTransform(U,g);
return trG;

16
Grid/qcd/utils/SUn.h
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@ -676,10 +676,18 @@ class SU {
}
}
/*
add GaugeTrans
*/
template<typename GaugeField,typename GaugeMat>
* Fundamental rep gauge xform
*/
template<typename Fundamental,typename GaugeMat>
static void GaugeTransformFundamental( Fundamental &ferm, GaugeMat &g){
GridBase *grid = ferm._grid;
conformable(grid,g._grid);
ferm = g*ferm;
}
/*
* Adjoint rep gauge xform
*/
template<typename GaugeField,typename GaugeMat>
static void GaugeTransform( GaugeField &Umu, GaugeMat &g){
GridBase *grid = Umu._grid;
conformable(grid,g._grid);