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Skeleton of HMC/Integrators
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2
INSTALL
2
INSTALL
@ -1 +1 @@
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/opt/local/share/automake-1.15/INSTALL
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/usr/share/automake-1.14/INSTALL
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configure
vendored
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configure
vendored
@ -2577,7 +2577,7 @@ test -n "$target_alias" &&
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NONENONEs,x,x, &&
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program_prefix=${target_alias}-
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am__api_version='1.15'
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am__api_version='1.14'
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# Find a good install program. We prefer a C program (faster),
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# so one script is as good as another. But avoid the broken or
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@ -2749,8 +2749,8 @@ test "$program_suffix" != NONE &&
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ac_script='s/[\\$]/&&/g;s/;s,x,x,$//'
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program_transform_name=`$as_echo "$program_transform_name" | sed "$ac_script"`
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# Expand $ac_aux_dir to an absolute path.
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am_aux_dir=`cd "$ac_aux_dir" && pwd`
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# expand $ac_aux_dir to an absolute path
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am_aux_dir=`cd $ac_aux_dir && pwd`
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if test x"${MISSING+set}" != xset; then
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case $am_aux_dir in
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@ -2769,7 +2769,7 @@ else
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$as_echo "$as_me: WARNING: 'missing' script is too old or missing" >&2;}
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fi
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if test x"${install_sh+set}" != xset; then
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if test x"${install_sh}" != xset; then
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case $am_aux_dir in
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*\ * | *\ *)
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install_sh="\${SHELL} '$am_aux_dir/install-sh'" ;;
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@ -3097,8 +3097,8 @@ MAKEINFO=${MAKEINFO-"${am_missing_run}makeinfo"}
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# <http://lists.gnu.org/archive/html/automake/2012-07/msg00014.html>
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mkdir_p='$(MKDIR_P)'
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# We need awk for the "check" target (and possibly the TAP driver). The
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# system "awk" is bad on some platforms.
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# We need awk for the "check" target. The system "awk" is bad on
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# some platforms.
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# Always define AMTAR for backward compatibility. Yes, it's still used
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# in the wild :-( We should find a proper way to deprecate it ...
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AMTAR='$${TAR-tar}'
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@ -3157,7 +3157,6 @@ END
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fi
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ac_config_headers="$ac_config_headers lib/GridConfig.h"
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# Check whether --enable-silent-rules was given.
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@ -19,6 +19,12 @@
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/* GRID_COMMS_NONE */
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#define GRID_COMMS_NONE 1
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/* GRID_DEFAULT_PRECISION is DOUBLE */
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/* #undef GRID_DEFAULT_PRECISION_DOUBLE */
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/* GRID_DEFAULT_PRECISION is SINGLE */
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#define GRID_DEFAULT_PRECISION_SINGLE 1
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/* Support Altivec instructions */
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/* #undef HAVE_ALTIVEC */
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@ -1,4 +1,4 @@
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HFILES=./algorithms/approx/bigfloat.h ./algorithms/approx/bigfloat_double.h ./algorithms/approx/Chebyshev.h ./algorithms/approx/MultiShiftFunction.h ./algorithms/approx/Remez.h ./algorithms/approx/Zolotarev.h ./algorithms/CoarsenedMatrix.h ./algorithms/iterative/AdefGeneric.h ./algorithms/iterative/BfmHDCG.h ./algorithms/iterative/ConjugateGradient.h ./algorithms/iterative/ConjugateGradientMultiShift.h ./algorithms/iterative/ConjugateResidual.h ./algorithms/iterative/NormalEquations.h ./algorithms/iterative/PrecConjugateResidual.h ./algorithms/iterative/PrecGeneralisedConjugateResidual.h ./algorithms/iterative/SchurRedBlack.h ./algorithms/LinearOperator.h ./algorithms/Preconditioner.h ./algorithms/SparseMatrix.h ./Algorithms.h ./AlignedAllocator.h ./cartesian/Cartesian_base.h ./cartesian/Cartesian_full.h ./cartesian/Cartesian_red_black.h ./Cartesian.h ./communicator/Communicator_base.h ./Communicator.h ./cshift/Cshift_common.h ./cshift/Cshift_mpi.h ./cshift/Cshift_none.h ./Cshift.h ./Grid.h ./GridConfig.h ./lattice/Lattice_arith.h ./lattice/Lattice_base.h ./lattice/Lattice_comparison.h ./lattice/Lattice_comparison_utils.h ./lattice/Lattice_conformable.h ./lattice/Lattice_coordinate.h ./lattice/Lattice_ET.h ./lattice/Lattice_local.h ./lattice/Lattice_overload.h ./lattice/Lattice_peekpoke.h ./lattice/Lattice_reality.h ./lattice/Lattice_reduction.h ./lattice/Lattice_rng.h ./lattice/Lattice_trace.h ./lattice/Lattice_transfer.h ./lattice/Lattice_transpose.h ./lattice/Lattice_unary.h ./lattice/Lattice_where.h ./Lattice.h ./Old/Tensor_peek.h ./Old/Tensor_poke.h ./parallelIO/NerscIO.h ./qcd/action/Actions.h ./qcd/action/DiffAction.h ./qcd/action/fermion/CayleyFermion5D.h ./qcd/action/fermion/ContinuedFractionFermion5D.h ./qcd/action/fermion/DomainWallFermion.h ./qcd/action/fermion/FermionOperator.h ./qcd/action/fermion/g5HermitianLinop.h ./qcd/action/fermion/MobiusFermion.h ./qcd/action/fermion/MobiusZolotarevFermion.h ./qcd/action/fermion/OverlapWilsonCayleyTanhFermion.h ./qcd/action/fermion/OverlapWilsonCayleyZolotarevFermion.h ./qcd/action/fermion/OverlapWilsonContfracTanhFermion.h ./qcd/action/fermion/OverlapWilsonContfracZolotarevFermion.h ./qcd/action/fermion/OverlapWilsonPartialFractionTanhFermion.h ./qcd/action/fermion/OverlapWilsonPartialFractionZolotarevFermion.h ./qcd/action/fermion/PartialFractionFermion5D.h ./qcd/action/fermion/ScaledShamirFermion.h ./qcd/action/fermion/ShamirZolotarevFermion.h ./qcd/action/fermion/WilsonCompressor.h ./qcd/action/fermion/WilsonFermion.h ./qcd/action/fermion/WilsonFermion5D.h ./qcd/action/fermion/WilsonKernels.h ./qcd/action/gauge/GaugeActionBase.h ./qcd/action/gauge/WilsonGaugeAction.h ./qcd/QCD.h ./qcd/spin/Dirac.h ./qcd/spin/TwoSpinor.h ./qcd/utils/CovariantCshift.h ./qcd/utils/LinalgUtils.h ./qcd/utils/SpaceTimeGrid.h ./qcd/utils/SUn.h ./qcd/utils/WilsonLoops.h ./simd/Grid_avx.h ./simd/Grid_avx512.h ./simd/Grid_empty.h ./simd/Grid_neon.h ./simd/Grid_qpx.h ./simd/Grid_sse4.h ./simd/Grid_vector_types.h ./simd/Grid_vector_unops.h ./Simd.h ./stencil/Lebesgue.h ./Stencil.h ./tensors/Tensor_arith.h ./tensors/Tensor_arith_add.h ./tensors/Tensor_arith_mac.h ./tensors/Tensor_arith_mul.h ./tensors/Tensor_arith_scalar.h ./tensors/Tensor_arith_sub.h ./tensors/Tensor_class.h ./tensors/Tensor_determinant.h ./tensors/Tensor_exp.h ./tensors/Tensor_extract_merge.h ./tensors/Tensor_index.h ./tensors/Tensor_inner.h ./tensors/Tensor_logical.h ./tensors/Tensor_outer.h ./tensors/Tensor_reality.h ./tensors/Tensor_Ta.h ./tensors/Tensor_trace.h ./tensors/Tensor_traits.h ./tensors/Tensor_transpose.h ./tensors/Tensor_unary.h ./Tensors.h ./Threads.h
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HFILES=./Cshift.h ./simd/Grid_avx.h ./simd/Grid_vector_types.h ./simd/Grid_sse4.h ./simd/Grid_avx512.h ./simd/Grid_empty.h ./simd/Grid_vector_unops.h ./simd/Grid_neon.h ./simd/Grid_qpx.h ./Tensors.h ./Algorithms.h ./communicator/Communicator_base.h ./lattice/Lattice_rng.h ./lattice/Lattice_reduction.h ./lattice/Lattice_transfer.h ./lattice/Lattice_unary.h ./lattice/Lattice_peekpoke.h ./lattice/Lattice_coordinate.h ./lattice/Lattice_comparison.h ./lattice/Lattice_overload.h ./lattice/Lattice_reality.h ./lattice/Lattice_local.h ./lattice/Lattice_conformable.h ./lattice/Lattice_where.h ./lattice/Lattice_comparison_utils.h ./lattice/Lattice_arith.h ./lattice/Lattice_base.h ./lattice/Lattice_ET.h ./lattice/Lattice_transpose.h ./lattice/Lattice_trace.h ./Stencil.h ./tensors/Tensor_arith_sub.h ./tensors/Tensor_exp.h ./tensors/Tensor_arith_mul.h ./tensors/Tensor_class.h ./tensors/Tensor_logical.h ./tensors/Tensor_transpose.h ./tensors/Tensor_arith_mac.h ./tensors/Tensor_arith_scalar.h ./tensors/Tensor_reality.h ./tensors/Tensor_trace.h ./tensors/Tensor_index.h ./tensors/Tensor_arith_add.h ./tensors/Tensor_outer.h ./tensors/Tensor_inner.h ./tensors/Tensor_traits.h ./tensors/Tensor_Ta.h ./tensors/Tensor_unary.h ./tensors/Tensor_determinant.h ./tensors/Tensor_arith.h ./tensors/Tensor_extract_merge.h ./Communicator.h ./Cartesian.h ./parallelIO/NerscIO.h ./qcd/QCD.h ./qcd/hmc/integrators/Integrator_base.h ./qcd/hmc/HMC.h ./qcd/utils/SpaceTimeGrid.h ./qcd/utils/SUn.h ./qcd/utils/LinalgUtils.h ./qcd/utils/CovariantCshift.h ./qcd/utils/WilsonLoops.h ./qcd/action/gauge/WilsonGaugeAction.h ./qcd/action/gauge/GaugeActionBase.h ./qcd/action/Actions.h ./qcd/action/fermion/CayleyFermion5D.h ./qcd/action/fermion/ScaledShamirFermion.h ./qcd/action/fermion/MobiusFermion.h ./qcd/action/fermion/OverlapWilsonContfracTanhFermion.h ./qcd/action/fermion/PartialFractionFermion5D.h ./qcd/action/fermion/ShamirZolotarevFermion.h ./qcd/action/fermion/FermionOperator.h ./qcd/action/fermion/WilsonFermion5D.h ./qcd/action/fermion/WilsonCompressor.h ./qcd/action/fermion/OverlapWilsonPartialFractionZolotarevFermion.h ./qcd/action/fermion/WilsonKernels.h ./qcd/action/fermion/DomainWallFermion.h ./qcd/action/fermion/OverlapWilsonPartialFractionTanhFermion.h ./qcd/action/fermion/OverlapWilsonContfracZolotarevFermion.h ./qcd/action/fermion/MobiusZolotarevFermion.h ./qcd/action/fermion/g5HermitianLinop.h ./qcd/action/fermion/OverlapWilsonCayleyTanhFermion.h ./qcd/action/fermion/WilsonFermion.h ./qcd/action/fermion/ContinuedFractionFermion5D.h ./qcd/action/fermion/OverlapWilsonCayleyZolotarevFermion.h ./qcd/spin/TwoSpinor.h ./qcd/spin/Dirac.h ./cshift/Cshift_common.h ./cshift/Cshift_none.h ./cshift/Cshift_mpi.h ./Simd.h ./GridConfig.h ./cartesian/Cartesian_base.h ./cartesian/Cartesian_red_black.h ./cartesian/Cartesian_full.h ./AlignedAllocator.h ./Lattice.h ./Old/Tensor_poke.h ./Old/Tensor_peek.h ./Threads.h ./Grid.h ./algorithms/Preconditioner.h ./algorithms/iterative/ConjugateResidual.h ./algorithms/iterative/PrecGeneralisedConjugateResidual.h ./algorithms/iterative/ConjugateGradientMultiShift.h ./algorithms/iterative/SchurRedBlack.h ./algorithms/iterative/NormalEquations.h ./algorithms/iterative/ConjugateGradient.h ./algorithms/iterative/AdefGeneric.h ./algorithms/approx/Chebyshev.h ./algorithms/approx/Zolotarev.h ./algorithms/approx/MultiShiftFunction.h ./algorithms/approx/bigfloat.h ./algorithms/approx/bigfloat_double.h ./algorithms/approx/Remez.h ./algorithms/LinearOperator.h ./algorithms/SparseMatrix.h ./algorithms/CoarsenedMatrix.h ./stencil/Lebesgue.h
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CCFILES=./algorithms/approx/MultiShiftFunction.cc ./algorithms/approx/Remez.cc ./algorithms/approx/Zolotarev.cc ./GridInit.cc ./qcd/action/fermion/CayleyFermion5D.cc ./qcd/action/fermion/ContinuedFractionFermion5D.cc ./qcd/action/fermion/PartialFractionFermion5D.cc ./qcd/action/fermion/WilsonFermion.cc ./qcd/action/fermion/WilsonFermion5D.cc ./qcd/action/fermion/WilsonKernels.cc ./qcd/action/fermion/WilsonKernelsHand.cc ./qcd/spin/Dirac.cc ./qcd/utils/SpaceTimeGrid.cc ./stencil/Lebesgue.cc ./stencil/Stencil_common.cc
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CCFILES=./qcd/hmc/integrators/Integrator_base.cc ./qcd/hmc/HMC.cc ./qcd/utils/SpaceTimeGrid.cc ./qcd/action/fermion/WilsonKernels.cc ./qcd/action/fermion/PartialFractionFermion5D.cc ./qcd/action/fermion/CayleyFermion5D.cc ./qcd/action/fermion/WilsonKernelsHand.cc ./qcd/action/fermion/WilsonFermion.cc ./qcd/action/fermion/ContinuedFractionFermion5D.cc ./qcd/action/fermion/WilsonFermion5D.cc ./qcd/spin/Dirac.cc ./GridInit.cc ./algorithms/approx/MultiShiftFunction.cc ./algorithms/approx/Remez.cc ./algorithms/approx/Zolotarev.cc ./stencil/Lebesgue.cc ./stencil/Stencil_common.cc
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@ -413,5 +413,8 @@ namespace QCD {
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#include <qcd/utils/WilsonLoops.h>
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#include <qcd/utils/SUn.h>
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#include <qcd/action/Actions.h>
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#include <qcd/hmc/integrators/Integrator_base.h>
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#include <qcd/hmc/HMC.h>
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#endif
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0
lib/qcd/hmc/.dirstamp
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0
lib/qcd/hmc/.dirstamp
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98
lib/qcd/hmc/HMC.cc
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lib/qcd/hmc/HMC.cc
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#include <Grid.h>
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namespace Grid{
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namespace QCD{
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HMCparameters::HMCparameters(){
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// FIXME fill this constructor now just default values
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////////////////////////////// Default values
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Nsweeps = 10;
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TotalSweeps = 10;
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ThermalizationSteps = 0;
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StartingConfig = 0;
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SaveInterval = 1;
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Filename_prefix = "Conf_";
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/////////////////////////////////
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}
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/////////////////////////////////////////////////////////////////
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HybridMonteCarlo::HybridMonteCarlo(GridSerialRNG& R):RNG(R){
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//FIXME
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}
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void HybridMonteCarlo::evolve(LatticeColourMatrix& Uin)const{
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Real DeltaH;
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Real timer;
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// Thermalizations
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for(int iter=1; iter <= Params.ThermalizationSteps; ++iter){
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std::cout << "-- # Thermalization step = "<< iter << "\n";
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DeltaH = evolve_step(Uin);
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std::cout<< "[Timing] Trajectory time (s) : "<< timer/1000.0 << "\n";
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std::cout<< "dH = "<< DeltaH << "\n";
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// Update matrix
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//Uin = md_->get_U(); //accept every time
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}
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// Actual updates
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for(int iter=Params.StartingConfig;
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iter < Params.Nsweeps+Params.StartingConfig; ++iter){
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std::cout << "-- # Sweep = "<< iter << "\n";
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DeltaH = evolve_step(Uin);
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if(metropolis_test(DeltaH)) {};//Uin = md_->get_U();
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// need sync?
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}
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}
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RealD HybridMonteCarlo::evolve_step(LatticeColourMatrix& Uin)const{
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/*
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md_->init(Uin,RNG); // set U and initialize P and phi's
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RealD H0 = md_->S(); // current state
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std::cout<<"Total H_before = "<< H0 << "\n";
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md_->integrator();
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RealD H1 = md_->calc_H(); // updated state
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std::cout<<"Total H_after = "<< H1 << "\n";
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return (H1-H0);
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*/
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return 0;
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}
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bool HybridMonteCarlo::metropolis_test(const RealD DeltaH)const{
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RealD rn_test;
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RealD prob = std::exp(-DeltaH);
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random(RNG,rn_test);
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std::cout<< "--------------------------------------------\n";
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std::cout<< "dH = "<<DeltaH << " Random = "<< rn_test
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<< "\nAcc. Probability = " << ((prob<1.0)? prob: 1.0)<< " ";
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if((prob >1.0) || (rn_test <= prob)){ // accepted
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std::cout <<"-- ACCEPTED\n";
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return true;
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} else { // rejected
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std::cout <<"-- REJECTED\n";
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return false;
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}
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}
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}
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}
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50
lib/qcd/hmc/HMC.h
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50
lib/qcd/hmc/HMC.h
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//--------------------------------------------------------------------
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/*! @file HMC.h
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* @brief Declaration of classes for HybridMonteCarlo update
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*
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* @author Guido Cossu
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*/
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//--------------------------------------------------------------------
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#ifndef HMC_INCLUDED
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#define HMC_INCLUDED
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#include <string>
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#include <memory>
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namespace Grid{
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namespace QCD{
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struct HMCparameters{
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Integer Nsweeps; /* @brief Number of sweeps in this run */
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Integer TotalSweeps; /* @brief If provided, the total number of sweeps */
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Integer ThermalizationSteps;
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Integer StartingConfig;
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Integer SaveInterval; //Setting to 0 does not save configurations
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std::string Filename_prefix; // To save configurations
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HMCparameters();
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};
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class HybridMonteCarlo{
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const HMCparameters Params;
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GridSerialRNG& RNG;
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// FIXME need the integrator
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bool metropolis_test(const RealD DeltaH)const;
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RealD evolve_step(LatticeColourMatrix&)const;
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public:
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HybridMonteCarlo(GridSerialRNG&);
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~HybridMonteCarlo(){};
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void evolve(LatticeColourMatrix& Uin)const;
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};
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}// QCD
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}// Grid
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#endif
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0
lib/qcd/hmc/integrators/.dirstamp
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0
lib/qcd/hmc/integrators/.dirstamp
Normal file
22
lib/qcd/hmc/integrators/Integrator_base.cc
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22
lib/qcd/hmc/integrators/Integrator_base.cc
Normal file
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/*!
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@file Integrator_base.cc
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@brief utilities for MD including funcs to generate initial HMC momentum
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*/
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#include <Grid.h>
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static const double sq3i = 1.0/sqrt(3.0);
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namespace Grid{
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namespace QCD{
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void MDutils::generate_momenta_su3(LatticeColourMatrix& P,GridParallelRNG& pRNG){
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SU3::GaussianLieAlgebraMatrix(pRNG, P);
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}
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}
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}
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50
lib/qcd/hmc/integrators/Integrator_base.h
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50
lib/qcd/hmc/integrators/Integrator_base.h
Normal file
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//--------------------------------------------------------------------
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/*! @file Integrator_base.h
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* @brief Declaration of classes for the abstract Molecular Dynamics integrator
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*
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* @author Guido Cossu
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*/
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//--------------------------------------------------------------------
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#ifndef INTEGRATOR_INCLUDED
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#define INTEGRATOR_INCLUDED
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class Action;
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class RandNum;
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class Observer;
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typedef std::vector<Action*> ActionLevel;
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typedef std::vector<ActionLevel> ActionSet;
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typedef std::vector<Observer*> ObserverList;
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/*! @brief Abstract base class for Molecular Dynamics management */
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namespace Grid{
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namespace QCD{
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class Integrator{
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private:
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virtual void update_P(int lv,double ep) = 0;
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virtual void update_U(double ep) = 0;
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virtual void register_observers() = 0;
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virtual void notify_observers() = 0;
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public:
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virtual ~Integrator(){}
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virtual void init(const LatticeColourMatrix&,
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const GridParallelRNG& RNG)=0;
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virtual double S()const =0;
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virtual void integrate(int level) =0;
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virtual const LatticeColourMatrix get_U() const =0;
|
||||
|
||||
void generate_momenta(LatticeColourMatrix& P,const RandNum& rand);
|
||||
};
|
||||
|
||||
namespace MDutils{
|
||||
void generate_momenta_su3(LatticeColourMatrix& P,GridParallelRNG& RNG);
|
||||
}
|
||||
|
||||
}
|
||||
}
|
||||
#endif//INTEGRATOR_INCLUDED
|
@ -543,6 +543,26 @@ Note that in step D setting B ~ X - A and using B in place of A in step E will g
|
||||
taExp(lie,out);
|
||||
}
|
||||
|
||||
static void GaussianLieAlgebraMatrix(GridParallelRNG &pRNG,LatticeMatrix &out,double scale=1.0){
|
||||
GridBase *grid = out._grid;
|
||||
LatticeComplex ca (grid);
|
||||
LatticeMatrix lie(grid);
|
||||
LatticeMatrix la (grid);
|
||||
Complex ci(0.0,scale);
|
||||
Matrix ta;
|
||||
|
||||
out=zero;
|
||||
for(int a=0;a<generators();a++){
|
||||
|
||||
gaussian(pRNG,ca);
|
||||
generator(a,ta);
|
||||
|
||||
la=ci*ca*ta;
|
||||
out = lie+la; // e^{i la ta}
|
||||
}
|
||||
}
|
||||
|
||||
|
||||
static void HotConfiguration(GridParallelRNG &pRNG,LatticeGaugeField &out){
|
||||
LatticeMatrix Umu(out._grid);
|
||||
for(int mu=0;mu<Nd;mu++){
|
||||
|
@ -1,9 +1,5 @@
|
||||
|
||||
bin_PROGRAMS = Test_GaugeAction Test_cayley_cg Test_cayley_coarsen_support Test_cayley_even_odd Test_cayley_ldop_cr Test_cf_coarsen_support Test_cf_cr_unprec Test_contfrac_cg Test_contfrac_even_odd Test_cshift Test_cshift_red_black Test_dwf_cg_prec Test_dwf_cg_schur Test_dwf_cg_unprec Test_dwf_cr_unprec Test_dwf_even_odd Test_dwf_fpgcr Test_dwf_hdcr Test_gamma Test_lie_generators Test_main Test_multishift_sqrt Test_nersc_io Test_quenched_update Test_remez Test_rng Test_rng_fixed Test_simd Test_stencil Test_wilson_cg_prec Test_wilson_cg_schur Test_wilson_cg_unprec Test_wilson_cr_unprec Test_wilson_even_odd
|
||||
|
||||
|
||||
Test_GaugeAction_SOURCES=Test_GaugeAction.cc
|
||||
Test_GaugeAction_LDADD=-lGrid
|
||||
bin_PROGRAMS = Test_cayley_cg Test_cayley_coarsen_support Test_cayley_even_odd Test_cayley_ldop_cr Test_cf_coarsen_support Test_cf_cr_unprec Test_contfrac_cg Test_contfrac_even_odd Test_cshift Test_cshift_red_black Test_dwf_cg_prec Test_dwf_cg_schur Test_dwf_cg_unprec Test_dwf_cr_unprec Test_dwf_even_odd Test_dwf_fpgcr Test_dwf_hdcr Test_gamma Test_GaugeAction Test_lie_generators Test_main Test_multishift_sqrt Test_nersc_io Test_quenched_update Test_remez Test_rng Test_rng_fixed Test_simd Test_stencil Test_wilson_cg_prec Test_wilson_cg_schur Test_wilson_cg_unprec Test_wilson_cr_unprec Test_wilson_even_odd
|
||||
|
||||
|
||||
Test_cayley_cg_SOURCES=Test_cayley_cg.cc
|
||||
@ -78,6 +74,10 @@ Test_gamma_SOURCES=Test_gamma.cc
|
||||
Test_gamma_LDADD=-lGrid
|
||||
|
||||
|
||||
Test_GaugeAction_SOURCES=Test_GaugeAction.cc
|
||||
Test_GaugeAction_LDADD=-lGrid
|
||||
|
||||
|
||||
Test_lie_generators_SOURCES=Test_lie_generators.cc
|
||||
Test_lie_generators_LDADD=-lGrid
|
||||
|
||||
|
Loading…
Reference in New Issue
Block a user