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Frontier compiel
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Peter Boyle
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HMC/HMC2p1f_3GeV.cc
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226
HMC/HMC2p1f_3GeV.cc
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/*************************************************************************************
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Grid physics library, www.github.com/paboyle/Grid
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Copyright (C) 2023
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Author: Peter Boyle <pabobyle@ph.ed.ac.uk>
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This program is free software; you can redistribute it and/or modify
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it under the terms of the GNU General Public License as published by
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the Free Software Foundation; either version 2 of the License, or
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(at your option) any later version.
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This program is distributed in the hope that it will be useful,
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but WITHOUT ANY WARRANTY; without even the implied warranty of
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MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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GNU General Public License for more details.
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You should have received a copy of the GNU General Public License along
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with this program; if not, write to the Free Software Foundation, Inc.,
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51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
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See the full license in the file "LICENSE" in the top level distribution
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directory
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*************************************************************************************/
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/* END LEGAL */
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#include <Grid/Grid.h>
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#include <Grid/qcd/smearing/GaugeConfigurationMasked.h>
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#include <Grid/qcd/smearing/JacobianAction.h>
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using namespace Grid;
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int main(int argc, char **argv)
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{
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std::cout << std::setprecision(12);
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Grid_init(&argc, &argv);
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int threads = GridThread::GetThreads();
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// here make a routine to print all the relevant information on the run
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std::cout << GridLogMessage << "Grid is setup to use " << threads << " threads" << std::endl;
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// Typedefs to simplify notation
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typedef WilsonImplR FermionImplPolicy;
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typedef MobiusFermionD FermionAction;
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typedef typename FermionAction::FermionField FermionField;
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typedef Grid::XmlReader Serialiser;
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//::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::
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IntegratorParameters MD;
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// typedef GenericHMCRunner<LeapFrog> HMCWrapper;
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// MD.name = std::string("Leap Frog");
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// typedef GenericHMCRunner<ForceGradient> HMCWrapper;
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// MD.name = std::string("Force Gradient");
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typedef GenericHMCRunner<MinimumNorm2> HMCWrapper;
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MD.name = std::string("MinimumNorm2");
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MD.MDsteps = 24;
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MD.trajL = 1.0;
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HMCparameters HMCparams;
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HMCparams.StartTrajectory = 0;
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HMCparams.Trajectories = 200;
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HMCparams.NoMetropolisUntil= 20;
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// "[HotStart, ColdStart, TepidStart, CheckpointStart]\n";
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// HMCparams.StartingType =std::string("HotStart");
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HMCparams.StartingType =std::string("ColdStart");
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// HMCparams.StartingType =std::string("CheckpointStart");
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HMCparams.MD = MD;
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HMCWrapper TheHMC(HMCparams);
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// Grid from the command line arguments --grid and --mpi
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TheHMC.Resources.AddFourDimGrid("gauge"); // use default simd lanes decomposition
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CheckpointerParameters CPparams;
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CPparams.config_prefix = "ckpoint_EODWF_lat";
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CPparams.smeared_prefix = "ckpoint_EODWF_lat_smr";
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CPparams.rng_prefix = "ckpoint_EODWF_rng";
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CPparams.saveInterval = 1;
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CPparams.saveSmeared = true;
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CPparams.format = "IEEE64BIG";
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TheHMC.Resources.LoadNerscCheckpointer(CPparams);
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RNGModuleParameters RNGpar;
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RNGpar.serial_seeds = "1 2 3 4 5";
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RNGpar.parallel_seeds = "6 7 8 9 10";
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TheHMC.Resources.SetRNGSeeds(RNGpar);
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// Construct observables
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// here there is too much indirection
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typedef PlaquetteMod<HMCWrapper::ImplPolicy> PlaqObs;
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TheHMC.Resources.AddObservable<PlaqObs>();
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//////////////////////////////////////////////
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const int Ls = 12;
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Real beta = 2.37;
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Real light_mass = 0.0047;
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Real strange_mass = 0.0186;
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Real pv_mass = 1.0;
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RealD M5 = 1.8;
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RealD b = 1.0; // Scale factor one, Shamir
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RealD c = 0.0;
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OneFlavourRationalParams OFRp;
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OFRp.lo = 1.0e-2;
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OFRp.hi = 64;
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OFRp.MaxIter = 10000;
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OFRp.tolerance= 1.0e-10;
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OFRp.degree = 14;
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OFRp.precision= 40;
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std::vector<Real> hasenbusch({ 0.05, 0.1, 0.25, 0.5 });
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auto GridPtr = TheHMC.Resources.GetCartesian();
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auto GridRBPtr = TheHMC.Resources.GetRBCartesian();
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auto FGrid = SpaceTimeGrid::makeFiveDimGrid(Ls,GridPtr);
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auto FrbGrid = SpaceTimeGrid::makeFiveDimRedBlackGrid(Ls,GridPtr);
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IwasakiGaugeActionR GaugeAction(beta);
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// temporarily need a gauge field
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LatticeGaugeField U(GridPtr);
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LatticeGaugeField Uhot(GridPtr);
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// These lines are unecessary if BC are all periodic
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std::vector<Complex> boundary = {1,1,1,-1};
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FermionAction::ImplParams Params(boundary);
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double StoppingCondition = 1e-10;
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double MaxCGIterations = 30000;
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ConjugateGradient<FermionField> CG(StoppingCondition,MaxCGIterations);
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bool ApplySmearing = false;
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////////////////////////////////////
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// Collect actions
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////////////////////////////////////
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ActionLevel<HMCWrapper::Field> Level1(1);
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ActionLevel<HMCWrapper::Field> Level2(2);
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////////////////////////////////////
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// Strange action
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////////////////////////////////////
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MobiusEOFAFermionD Strange_Op_L (U , *FGrid , *FrbGrid , *GridPtr , *GridRBPtr , strange_mass, strange_mass, pv_mass, 0.0, -1, M5, b, c);
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MobiusEOFAFermionD Strange_Op_R (U , *FGrid , *FrbGrid , *GridPtr , *GridRBPtr , pv_mass, strange_mass, pv_mass, -1.0, 1, M5, b, c);
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ExactOneFlavourRatioPseudoFermionAction<FermionImplPolicy>
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EOFA(Strange_Op_L, Strange_Op_R,
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CG,
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CG, CG,
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CG, CG,
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OFRp, false);
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EOFA.is_smeared = ApplySmearing;
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Level1.push_back(&EOFA);
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////////////////////////////////////
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// up down action
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////////////////////////////////////
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std::vector<Real> light_den;
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std::vector<Real> light_num;
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int n_hasenbusch = hasenbusch.size();
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light_den.push_back(light_mass);
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for(int h=0;h<n_hasenbusch;h++){
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light_den.push_back(hasenbusch[h]);
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light_num.push_back(hasenbusch[h]);
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}
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light_num.push_back(pv_mass);
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std::vector<FermionAction *> Numerators;
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std::vector<FermionAction *> Denominators;
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std::vector<TwoFlavourEvenOddRatioPseudoFermionAction<FermionImplPolicy> *> Quotients;
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for(int h=0;h<n_hasenbusch+1;h++){
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std::cout << GridLogMessage << " 2f quotient Action "<< light_num[h] << " / " << light_den[h]<< std::endl;
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Numerators.push_back (new FermionAction(U,*FGrid,*FrbGrid,*GridPtr,*GridRBPtr,light_num[h],M5,b,c, Params));
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Denominators.push_back(new FermionAction(U,*FGrid,*FrbGrid,*GridPtr,*GridRBPtr,light_den[h],M5,b,c, Params));
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Quotients.push_back (new TwoFlavourEvenOddRatioPseudoFermionAction<FermionImplPolicy>(*Numerators[h],*Denominators[h],CG,CG));
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}
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for(int h=0;h<n_hasenbusch+1;h++){
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Quotients[h]->is_smeared = ApplySmearing;
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Level1.push_back(Quotients[h]);
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}
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/////////////////////////////////////////////////////////////
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// lnDetJacobianAction
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/////////////////////////////////////////////////////////////
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double rho = 0.1; // smearing parameter
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int Nsmear = 1; // number of smearing levels - must be multiple of 2Nd
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int Nstep = 8*Nsmear; // number of smearing levels - must be multiple of 2Nd
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Smear_Stout<HMCWrapper::ImplPolicy> Stout(rho);
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SmearedConfigurationMasked<HMCWrapper::ImplPolicy> SmearingPolicy(GridPtr, Nstep, Stout);
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JacobianAction<HMCWrapper::ImplPolicy> Jacobian(&SmearingPolicy);
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if( ApplySmearing ) Level1.push_back(&Jacobian);
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std::cout << GridLogMessage << " Built the Jacobian "<< std::endl;
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/////////////////////////////////////////////////////////////
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// Gauge action
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/////////////////////////////////////////////////////////////
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GaugeAction.is_smeared = ApplySmearing;
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Level2.push_back(&GaugeAction);
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std::cout << GridLogMessage << " ************************************************"<< std::endl;
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std::cout << GridLogMessage << " Action complete -- NO FERMIONS FOR NOW -- FIXME"<< std::endl;
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std::cout << GridLogMessage << " ************************************************"<< std::endl;
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std::cout << GridLogMessage << std::endl;
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std::cout << GridLogMessage << std::endl;
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std::cout << GridLogMessage << " Running the FT HMC "<< std::endl;
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TheHMC.TheAction.push_back(Level1);
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TheHMC.TheAction.push_back(Level2);
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TheHMC.ReadCommandLine(argc,argv); // params on CML or from param file
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TheHMC.initializeGaugeFieldAndRNGs(U);
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TheHMC.Run(SmearingPolicy); // for smearing
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Grid_finalize();
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} // main
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23
systems/Frontier/config-command
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23
systems/Frontier/config-command
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CLIME=`spack find --paths c-lime@2-3-9 | grep c-lime| cut -c 15-`
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../../configure --enable-comms=mpi-auto \
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--with-lime=$CLIME \
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--enable-unified=no \
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--enable-shm=nvlink \
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--enable-tracing=timer \
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--enable-accelerator=hip \
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--enable-gen-simd-width=64 \
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--disable-gparity \
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--disable-fermion-reps \
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--enable-simd=GPU \
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--enable-accelerator-cshift \
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--with-gmp=$OLCF_GMP_ROOT \
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--with-fftw=$FFTW_DIR/.. \
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--with-mpfr=/opt/cray/pe/gcc/mpfr/3.1.4/ \
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--disable-fermion-reps \
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CXX=hipcc MPICXX=mpicxx \
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CXXFLAGS="-fPIC -I{$ROCM_PATH}/include/ -I${MPICH_DIR}/include -L/lib64 -fgpu-sanitize" \
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LDFLAGS="-L/lib64 -L${MPICH_DIR}/lib -lmpi -L${CRAY_MPICH_ROOTDIR}/gtl/lib -lmpi_gtl_hsa -lamdhip64 "
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13
systems/Frontier/sourceme.sh
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systems/Frontier/sourceme.sh
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. /autofs/nccs-svm1_home1/paboyle/Crusher/Grid/spack/share/spack/setup-env.sh
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spack load c-lime
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#export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/sw/crusher/spack-envs/base/opt/cray-sles15-zen3/gcc-11.2.0/gperftools-2.9.1-72ubwtuc5wcz2meqltbfdb76epufgzo2/lib
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module load emacs
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module load PrgEnv-gnu
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module load rocm
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module load cray-mpich/8.1.23
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module load gmp
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module load cray-fftw
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module load craype-accel-amd-gfx90a
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export LD_LIBRARY_PATH=/opt/gcc/mpfr/3.1.4/lib:$LD_LIBRARY_PATH
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#Hack for lib
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#export LD_LIBRARY_PATH=`pwd`:$LD_LIBRARY_PATH
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