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In EOFA pseudofermion action, implemented M^{-1} (this costs the same as M for EOFA!)

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Added tests/solver/Test_eofa_inv.cc to test the above
In MDWF+ID GPBC binary, tests of RHMC approx for the action / MD approxs can be performed separately using a cmdline toggle
This commit is contained in:
Christopher Kelly 2021-06-03 11:11:14 -04:00
parent e1a02bb80a
commit c3b99de33f
3 changed files with 246 additions and 31 deletions
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61
Grid/qcd/action/pseudofermion/ExactOneFlavourRatio.h
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@ -294,6 +294,67 @@ NAMESPACE_BEGIN(Grid);
out = out + Rop.k * tmp[1];
}
//Due to the structure of EOFA, it is no more expensive to compute the inverse of Meofa
//To ensure correctness we can simply reuse the heatbath code but use the rational approx
//f(x) = 1/x which corresponds to alpha_0=0, alpha_1=1, beta_1=0 => gamma_1=1
void MeofaInv(const GaugeField &U, const FermionField &in, FermionField &out) {
Lop.ImportGauge(U);
Rop.ImportGauge(U);
FermionField CG_src (Lop.FermionGrid());
FermionField CG_soln (Lop.FermionGrid());
std::vector<FermionField> tmp(2, Lop.FermionGrid());
// \Phi = ( \alpha_{0} + \sum_{k=1}^{N_{p}} \alpha_{l} * \gamma_{l} ) * \eta
// = 1 * \eta
out = in;
// LH terms:
// \Phi = \Phi + k \sum_{k=1}^{N_{p}} P_{-} \Omega_{-}^{\dagger} ( H(mf)
// - \gamma_{l} \Delta_{-}(mf,mb) P_{-} )^{-1} \Omega_{-} P_{-} \eta
spProj(in, tmp[0], -1, Lop.Ls);
Lop.Omega(tmp[0], tmp[1], -1, 0);
G5R5(CG_src, tmp[1]);
{
heatbathRefreshShiftCoefficients(0, -1.); //-gamma_1 = -1.
CG_soln = Zero(); // Just use zero as the initial guess
SolverHBL(Lop, CG_src, CG_soln);
Lop.Dtilde(CG_soln, tmp[0]); // We actually solved Cayley preconditioned system: transform back
tmp[1] = Lop.k * tmp[0];
}
Lop.Omega(tmp[1], tmp[0], -1, 1);
spProj(tmp[0], tmp[1], -1, Lop.Ls);
out = out + tmp[1];
// RH terms:
// \Phi = \Phi - k \sum_{k=1}^{N_{p}} P_{+} \Omega_{+}^{\dagger} ( H(mb)
// - \beta_l\gamma_{l} \Delta_{+}(mf,mb) P_{+} )^{-1} \Omega_{+} P_{+} \eta
spProj(in, tmp[0], 1, Rop.Ls);
Rop.Omega(tmp[0], tmp[1], 1, 0);
G5R5(CG_src, tmp[1]);
{
heatbathRefreshShiftCoefficients(1, 0.); //-gamma_1 * beta_1 = 0
CG_soln = Zero();
SolverHBR(Rop, CG_src, CG_soln);
Rop.Dtilde(CG_soln, tmp[0]); // We actually solved Cayley preconditioned system: transform back
tmp[1] = - Rop.k * tmp[0];
}
Rop.Omega(tmp[1], tmp[0], 1, 1);
spProj(tmp[0], tmp[1], 1, Rop.Ls);
out = out + tmp[1];
// Reset shift coefficients for energy and force evals
heatbathRefreshShiftCoefficients(0, 0.0);
heatbathRefreshShiftCoefficients(1, -1.0);
};
// EOFA action: see Eqn. (10) of arXiv:1706.05843
virtual RealD S(const GaugeField& U)
{

91
HMC/Mobius2p1fIDSDRGparityEOFA.cc
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@ -197,11 +197,13 @@ void computeEigenvalues(std::string param_file,
//Check the quality of the RHMC approx
//action_or_md toggles checking the action (0), MD (1) or both (2) setups
template<typename FermionActionD, typename FermionFieldD, typename RHMCtype>
void checkRHMC(GridCartesian* Grid, GridRedBlackCartesian* rbGrid, const LatticeGaugeFieldD &latt, //expect lattice to have been initialized to something
FermionActionD &numOp, FermionActionD &denOp, RHMCtype &rhmc, GridParallelRNG &rng,
int inv_pow, const std::string &quark_descr){
int inv_pow, const std::string &quark_descr, int action_or_md){
assert(action_or_md == 0 || action_or_md == 1 || action_or_md == 2);
FermionFieldD gauss_o(rbGrid);
FermionFieldD gauss(Grid);
gaussian(rng, gauss);
@ -213,40 +215,56 @@ void checkRHMC(GridCartesian* Grid, GridRedBlackCartesian* rbGrid, const Lattice
typedef typename FermionActionD::Impl_t FermionImplPolicyD;
SchurDifferentiableOperator<FermionImplPolicyD> MdagM(numOp);
SchurDifferentiableOperator<FermionImplPolicyD> VdagV(denOp);
std::cout << "Starting: Checking quality of RHMC action approx for " << quark_descr << " quark numerator and power -1/" << inv_pow << std::endl;
InversePowerBoundsCheck(inv_pow, 10000, 1e16, MdagM,gauss_o, rhmc.ApproxNegPowerAction); //use large tolerance to prevent exit on fail; we are trying to tune here!
std::cout << "Finished: Checking quality of RHMC action approx for " << quark_descr << " quark numerator and power -1/" << inv_pow << std::endl;
std::cout << "Starting: Checking quality of RHMC action approx for " << quark_descr << " quark numerator and power -1/" << 2*inv_pow << std::endl;
InversePowerBoundsCheck(2*inv_pow, 10000, 1e16, MdagM,gauss_o, rhmc.ApproxNegHalfPowerAction);
std::cout << "Finished: Checking quality of RHMC action approx for " << quark_descr << " quark numerator and power -1/" << 2*inv_pow << std::endl;
PowerMethod<FermionFieldD> power_method;
RealD lambda_max;
std::cout << "Starting: Checking quality of RHMC action approx for " << quark_descr << " quark denominator and power -1/" << inv_pow << std::endl;
InversePowerBoundsCheck(inv_pow, 10000, 1e16, VdagV,gauss_o, rhmc.ApproxNegPowerAction);
std::cout << "Finished: Checking quality of RHMC action approx for " << quark_descr << " quark denominator and power -1/" << inv_pow << std::endl;
std::cout << "Starting: Get RHMC high bound approx for " << quark_descr << " numerator" << std::endl;
std::cout << "Starting: Checking quality of RHMC action approx for " << quark_descr << " quark denominator and power -1/" << 2*inv_pow << std::endl;
InversePowerBoundsCheck(2*inv_pow, 10000, 1e16, VdagV,gauss_o, rhmc.ApproxNegHalfPowerAction);
std::cout << "Finished: Checking quality of RHMC action approx for " << quark_descr << " quark denominator and power -1/" << 2*inv_pow << std::endl;
lambda_max = power_method(MdagM,gauss_o);
std::cout << GridLogMessage << "Got lambda_max "<<lambda_max<<std::endl;
std::cout << "Starting: Get RHMC high bound approx for " << quark_descr << " denominator" << std::endl;
lambda_max = power_method(VdagV,gauss_o);
std::cout << GridLogMessage << "Got lambda_max "<<lambda_max<<std::endl;
if(action_or_md == 0 || action_or_md == 2){
std::cout << "Starting: Checking quality of RHMC action approx for " << quark_descr << " quark numerator and power -1/" << inv_pow << std::endl;
InversePowerBoundsCheck(inv_pow, 10000, 1e16, MdagM,gauss_o, rhmc.ApproxNegPowerAction); //use large tolerance to prevent exit on fail; we are trying to tune here!
std::cout << "Finished: Checking quality of RHMC action approx for " << quark_descr << " quark numerator and power -1/" << inv_pow << std::endl;
std::cout << "Starting: Checking quality of RHMC action approx for " << quark_descr << " quark numerator and power -1/" << 2*inv_pow << std::endl;
InversePowerBoundsCheck(2*inv_pow, 10000, 1e16, MdagM,gauss_o, rhmc.ApproxNegHalfPowerAction);
std::cout << "Finished: Checking quality of RHMC action approx for " << quark_descr << " quark numerator and power -1/" << 2*inv_pow << std::endl;
std::cout << "Starting: Checking quality of RHMC action approx for " << quark_descr << " quark denominator and power -1/" << inv_pow << std::endl;
InversePowerBoundsCheck(inv_pow, 10000, 1e16, VdagV,gauss_o, rhmc.ApproxNegPowerAction);
std::cout << "Finished: Checking quality of RHMC action approx for " << quark_descr << " quark denominator and power -1/" << inv_pow << std::endl;
std::cout << "Starting: Checking quality of RHMC action approx for " << quark_descr << " quark denominator and power -1/" << 2*inv_pow << std::endl;
InversePowerBoundsCheck(2*inv_pow, 10000, 1e16, VdagV,gauss_o, rhmc.ApproxNegHalfPowerAction);
std::cout << "Finished: Checking quality of RHMC action approx for " << quark_descr << " quark denominator and power -1/" << 2*inv_pow << std::endl;
}
std::cout << "-------------------------------------------------------------------------------" << std::endl;
std::cout << "Starting: Checking quality of RHMC MD approx for " << quark_descr << " quark numerator and power -1/" << inv_pow << std::endl;
InversePowerBoundsCheck(inv_pow, 10000, 1e16, MdagM,gauss_o, rhmc.ApproxNegPowerMD);
std::cout << "Finished: Checking quality of RHMC MD approx for " << quark_descr << " quark numerator and power -1/" << inv_pow << std::endl;
if(action_or_md == 1 || action_or_md == 2){
std::cout << "Starting: Checking quality of RHMC MD approx for " << quark_descr << " quark numerator and power -1/" << inv_pow << std::endl;
InversePowerBoundsCheck(inv_pow, 10000, 1e16, MdagM,gauss_o, rhmc.ApproxNegPowerMD);
std::cout << "Finished: Checking quality of RHMC MD approx for " << quark_descr << " quark numerator and power -1/" << inv_pow << std::endl;
std::cout << "Starting: Checking quality of RHMC MD approx for " << quark_descr << " quark numerator and power -1/" << 2*inv_pow << std::endl;
InversePowerBoundsCheck(2*inv_pow, 10000, 1e16, MdagM,gauss_o, rhmc.ApproxNegHalfPowerMD);
std::cout << "Finished: Checking quality of RHMC MD approx for " << quark_descr << " quark numerator and power -1/" << 2*inv_pow << std::endl;
std::cout << "Starting: Checking quality of RHMC MD approx for " << quark_descr << " quark numerator and power -1/" << 2*inv_pow << std::endl;
InversePowerBoundsCheck(2*inv_pow, 10000, 1e16, MdagM,gauss_o, rhmc.ApproxNegHalfPowerMD);
std::cout << "Finished: Checking quality of RHMC MD approx for " << quark_descr << " quark numerator and power -1/" << 2*inv_pow << std::endl;
std::cout << "Starting: Checking quality of RHMC MD approx for " << quark_descr << " quark denominator and power -1/" << inv_pow << std::endl;
InversePowerBoundsCheck(inv_pow, 10000, 1e16, VdagV,gauss_o, rhmc.ApproxNegPowerMD);
std::cout << "Finished: Checking quality of RHMC MD approx for " << quark_descr << " quark denominator and power -1/" << inv_pow << std::endl;
std::cout << "Starting: Checking quality of RHMC MD approx for " << quark_descr << " quark denominator and power -1/" << inv_pow << std::endl;
InversePowerBoundsCheck(inv_pow, 10000, 1e16, VdagV,gauss_o, rhmc.ApproxNegPowerMD);
std::cout << "Finished: Checking quality of RHMC MD approx for " << quark_descr << " quark denominator and power -1/" << inv_pow << std::endl;
std::cout << "Starting: Checking quality of RHMC MD approx for " << quark_descr << " quark denominator and power -1/" << 2*inv_pow << std::endl;
InversePowerBoundsCheck(2*inv_pow, 10000, 1e16, VdagV,gauss_o, rhmc.ApproxNegHalfPowerMD);
std::cout << "Finished: Checking quality of RHMC MD approx for " << quark_descr << " quark denominator and power -1/" << 2*inv_pow << std::endl;
std::cout << "Starting: Checking quality of RHMC MD approx for " << quark_descr << " quark denominator and power -1/" << 2*inv_pow << std::endl;
InversePowerBoundsCheck(2*inv_pow, 10000, 1e16, VdagV,gauss_o, rhmc.ApproxNegHalfPowerMD);
std::cout << "Finished: Checking quality of RHMC MD approx for " << quark_descr << " quark denominator and power -1/" << 2*inv_pow << std::endl;
}
}
@ -654,15 +672,26 @@ int main(int argc, char **argv) {
check_eofa=false, upper_bound_eofa=false;
std::string lanc_params_s;
std::string lanc_params_DSDR;
int tune_rhmc_s_action_or_md;
int tune_rhmc_DSDR_action_or_md;
for(int i=1;i<argc;i++){
std::string sarg(argv[i]);
if(sarg == "--tune_rhmc_s") tune_rhmc_s=true;
if(sarg == "--tune_rhmc_s"){
assert(i < argc-1);
tune_rhmc_s=true;
tune_rhmc_s_action_or_md = std::stoi(argv[i+1]);
}
else if(sarg == "--eigenrange_s"){
assert(i < argc-1);
eigenrange_s=true;
lanc_params_s = argv[i+1];
}
else if(sarg == "--tune_rhmc_DSDR") tune_rhmc_DSDR=true;
else if(sarg == "--tune_rhmc_DSDR"){
assert(i < argc-1);
tune_rhmc_DSDR=true;
tune_rhmc_DSDR_action_or_md = std::stoi(argv[i+1]);
}
else if(sarg == "--eigenrange_DSDR"){
assert(i < argc-1);
eigenrange_DSDR=true;
@ -682,9 +711,9 @@ int main(int argc, char **argv) {
if(check_eofa) checkEOFA(EOFA, FGridD, TheHMC.Resources.GetParallelRNG(), Ud);
if(upper_bound_eofa) upperBoundEOFA(EOFA, FGridD, TheHMC.Resources.GetParallelRNG(), Ud);
if(eigenrange_s) computeEigenvalues<FermionActionD, FermionFieldD>(lanc_params_s, FGridD, FrbGridD, Ud, Numerator_sD, TheHMC.Resources.GetParallelRNG());
if(tune_rhmc_s) checkRHMC<FermionActionD, FermionFieldD, decltype(Quotient_s)>(FGridD, FrbGridD, Ud, Numerator_sD, Denominator_sD, Quotient_s, TheHMC.Resources.GetParallelRNG(), 4, "strange");
if(tune_rhmc_s) checkRHMC<FermionActionD, FermionFieldD, decltype(Quotient_s)>(FGridD, FrbGridD, Ud, Numerator_sD, Denominator_sD, Quotient_s, TheHMC.Resources.GetParallelRNG(), 4, "strange", tune_rhmc_s_action_or_md);
if(eigenrange_DSDR) computeEigenvalues<GparityWilsonTMFermionD, GparityWilsonTMFermionD::FermionField>(lanc_params_DSDR, UGridD, UrbGridD, Ud, Numerator_DSDR_D, TheHMC.Resources.GetParallelRNG());
if(tune_rhmc_DSDR) checkRHMC<GparityWilsonTMFermionD, GparityWilsonTMFermionD::FermionField, decltype(Quotient_DSDR)>(UGridD, UrbGridD, Ud, Numerator_DSDR_D, Denominator_DSDR_D, Quotient_DSDR, TheHMC.Resources.GetParallelRNG(), 2, "DSDR");
if(tune_rhmc_DSDR) checkRHMC<GparityWilsonTMFermionD, GparityWilsonTMFermionD::FermionField, decltype(Quotient_DSDR)>(UGridD, UrbGridD, Ud, Numerator_DSDR_D, Denominator_DSDR_D, Quotient_DSDR, TheHMC.Resources.GetParallelRNG(), 2, "DSDR", tune_rhmc_DSDR_action_or_md);
std::cout << GridLogMessage << " Done" << std::endl;

125
tests/solver/Test_eofa_inv.cc Normal file
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@ -0,0 +1,125 @@
/*************************************************************************************
Grid physics library, www.github.com/paboyle/Grid
Source file: ./tests/solver/Test_eofa_inv.cc
Copyright (C) 2017
Author: Christopher Kelly <ckelly@bnl.gov>
Author: Peter Boyle <paboyle@ph.ed.ac.uk>
Author: David Murphy <dmurphy@phys.columbia.edu>
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;
;
int main (int argc, char** argv)
{
Grid_init(&argc, &argv);
Coordinate latt_size = GridDefaultLatt();
Coordinate simd_layout = GridDefaultSimd(Nd,vComplex::Nsimd());
Coordinate mpi_layout = GridDefaultMpi();
const int Ls = 8;
GridCartesian *UGrid = SpaceTimeGrid::makeFourDimGrid(GridDefaultLatt(), GridDefaultSimd(Nd,vComplex::Nsimd()), GridDefaultMpi());
GridRedBlackCartesian *UrbGrid = SpaceTimeGrid::makeFourDimRedBlackGrid(UGrid);
GridCartesian *FGrid = SpaceTimeGrid::makeFiveDimGrid(Ls, UGrid);
GridRedBlackCartesian *FrbGrid = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls, UGrid);
// Want a different conf at every run
// First create an instance of an engine.
std::random_device rnd_device;
// Specify the engine and distribution.
std::mt19937 mersenne_engine(rnd_device());
std::uniform_int_distribution<int> dist(1, 100);
auto gen = std::bind(dist, mersenne_engine);
std::vector<int> seeds4(4);
generate(begin(seeds4), end(seeds4), gen);
//std::vector<int> seeds4({1,2,3,5});
std::vector<int> seeds5({5,6,7,8});
GridParallelRNG RNG5(FGrid); RNG5.SeedFixedIntegers(seeds5);
GridParallelRNG RNG4(UGrid); RNG4.SeedFixedIntegers(seeds4);
int threads = GridThread::GetThreads();
std::cout << GridLogMessage << "Grid is setup to use " << threads << " threads" << std::endl;
LatticeFermion phi (FGrid); gaussian(RNG5, phi);
LatticeFermion Mphi (FGrid);
LatticeFermion MphiPrime (FGrid);
LatticeGaugeField U(UGrid);
SU<Nc>::HotConfiguration(RNG4,U);
////////////////////////////////////
// Unmodified matrix element
////////////////////////////////////
RealD b = 2.5;
RealD c = 1.5;
RealD mf = 0.01;
RealD mb = 1.0;
RealD M5 = 1.8;
MobiusEOFAFermionR Lop(U, *FGrid, *FrbGrid, *UGrid, *UrbGrid, mf, mf, mb, 0.0, -1, M5, b, c);
MobiusEOFAFermionR Rop(U, *FGrid, *FrbGrid, *UGrid, *UrbGrid, mb, mf, mb, -1.0, 1, M5, b, c);
OneFlavourRationalParams Params(0.95, 100.0, 5000, 1.0e-10, 12);
ConjugateGradient<LatticeFermion> CG(1.0e-10, 5000);
ExactOneFlavourRatioPseudoFermionAction<WilsonImplR> Meofa(Lop, Rop, CG, CG, CG, CG, CG, Params, false);
GridSerialRNG sRNG; sRNG.SeedFixedIntegers(seeds4);
//Random field
LatticeFermion eta(FGrid);
gaussian(RNG5,eta);
//Check left inverse
LatticeFermion Meta(FGrid);
Meofa.Meofa(U, eta, Meta);
LatticeFermion MinvMeta(FGrid);
Meofa.MeofaInv(U, Meta, MinvMeta);
LatticeFermion diff = MinvMeta - eta;
std::cout << GridLogMessage << "eta: " << norm2(eta) << " M*eta: " << norm2(Meta) << " M^{-1}*M*eta: " << norm2(MinvMeta) << " M^{-1}*M*eta - eta: " << norm2(diff) << " (expect 0)" << std::endl;
assert(norm2(diff) < 1e-8);
//Check right inverse
LatticeFermion MinvEta(FGrid);
Meofa.MeofaInv(U, eta, MinvEta);
LatticeFermion MMinvEta(FGrid);
Meofa.Meofa(U, MinvEta, MMinvEta);
diff = MMinvEta - eta;
std::cout << GridLogMessage << "eta: " << norm2(eta) << " M^{-1}*eta: " << norm2(MinvEta) << " M*M^{-1}*eta: " << norm2(MMinvEta) << " M*M^{-1}*eta - eta: " << norm2(diff) << " (expect 0)" << std::endl;
assert(norm2(diff) < 1e-8);
std::cout << GridLogMessage << "Done" << std::endl;
Grid_finalize();
}