Add cooling and ability to use multiple flow integrators

MetaAnalysis/src/measurements.jl

@@ -21,7 +21,7 @@ struct MetaMeasurements
             """
             ensemblename
         else
-            path = joinpath(splitpath(@__DIR__())[1:end-2]...) * "/ensembles/$(ensemblename)/measurements/"
+            path = joinpath(splitpath(@__DIR__())[1:end-2]...) * "/ensembles/$(ensemblename)/"
             @assert isdir(path) """
             Ensemble \"$(ensemblename)\" could not be found or doesn't exist.
             """

src/bias/Bias.jl

@@ -52,7 +52,7 @@ function Bias(p::ParameterSet, U; mpi_multi_sim=false, instance=mpi_myrank(), du
     else
         instance
     end
-    @level1("- Setting Bias instance $(inum)...")
+    @level1("- Constructing Bias instance $(inum)...")
     kind_of_bias = Unicode.normalize(p.kind_of_bias; casefold=true)
     TCV = get_cvtype_from_parameters(p)
     smearing = StoutSmearing(U; numlayers=p.numsmears_for_cv, rho=p.rhostout_for_cv)

src/main/Main.jl

@@ -13,7 +13,7 @@ import ..Fields: calc_gauge_action, is_distributed, normalize!
 import ..Measurements: MYEXT_str
 import ..Measurements: MeasurementMethods, calc_measurements, calc_measurements_flowed
 import ..Parameters: ParameterSet, construct_params_from_toml
-import ..Smearing: GradientFlow
+import ..Smearing: construct_flow
 import ..Universe: Univ
 import ..Updates: HMC, ParityUpdate, Updatemethod, update!, temper!, integrator_from_str
 import ..Updates: set_instanton!

src/main/Universe.jl

@@ -31,7 +31,7 @@ struct Univ{TG,TF,TB}
     function Univ(
         U::Gaugefield{BACKEND,T,M,A,GA}, fermion_action::TF, bias::TB, numinstances
     ) where {BACKEND,T,M,A,GA,TF,TB}
-        @level1("- Setting Universe...")
+        @level1("- Constructing Universe...")
         @level1("|  NUM INSTANCES: $(numinstances)")
         @level1("|  BACKEND: $(string(BACKEND))")
         @level1("|  FP PREC: $(string(T))")
@@ -53,7 +53,7 @@ struct Univ{TG,TF,TB}
     function Univ(
         U::Vector{TG}, fermion_action::TF, bias::Vector{TB}, numinstances
     ) where {B,T,M,A,GA,TG<:Gaugefield{B,T,M,A,GA},TF,TB}
-        @level1("- Setting Universe...")
+        @level1("- Constructing Universe...")
         @level1("|  NUM INSTANCES: $(numinstances)")
         @level1("|  BACKEND: $(string(B))")
         @level1("|  FP PREC: $(string(T))")

src/main/runbuild.jl

@@ -73,14 +73,7 @@ function build_bias!(univ, parameters, updatemethod; mpi_multi_sim=false)
         updatemethod = Updatemethod(parameters, U)
     end
 
-    gflow = GradientFlow(
-        U;
-        integrator=parameters.flow_integrator,
-        numflow=parameters.flow_num,
-        steps=parameters.flow_steps,
-        tf=parameters.flow_tf,
-        measure_every=parameters.flow_measure_every,
-    )
+    gflow = construct_flow(U, parameters)
 
     additional_string = "_$(lpad(mpi_myrank(), 3, "0")).txt"
 

src/main/runsim.jl

@@ -138,74 +138,68 @@ function run_sim!(univ, parameters, updatemethod, updatemethod_pt; mpi_multi_sim
         parity = parameters.parity_update ? ParityUpdate(U) : nothing
     end
 
-    if parameters.tempering_enabled && !mpi_multi_sim
-        gflow = GradientFlow(
-            U[1];
-            integrator=parameters.flow_integrator,
-            numflow=parameters.flow_num,
-            steps=parameters.flow_steps,
-            tf=parameters.flow_tf,
-            measure_every=parameters.flow_measure_every,
-        )
-        measurements = Vector{MeasurementMethods}(undef, parameters.numinstances)
-        measurements_with_flow = Vector{MeasurementMethods}(undef, parameters.numinstances)
+    numinstances = parameters.numinstances
 
+    if parameters.tempering_enabled && !mpi_multi_sim
+        gflow = construct_flow(U[1], parameters)
+        measurements = Vector{MeasurementMethods}(undef, numinstances)
         measurements[1] = MeasurementMethods(
             U[1], parameters.measure_dir, parameters.measurements;
             additional_string="_000.txt",
         )
 
-        measurements_with_flow[1] = MeasurementMethods(
-            U[1],
-            parameters.measure_dir,
-            parameters.measurements_with_flow;
-            flow=true,
-            additional_string="_000.txt",
-        )
-        for i in 2:(parameters.numinstances)
+        for i in 2:numinstances
             if parameters.measure_on_all
                 measurements[i] = MeasurementMethods(
                     U[i],
                     parameters.measure_dir,
                     parameters.measurements;
                     additional_string = "_$(lpad(i-1, 3, "0")).txt"
                 )
-                measurements_with_flow[i] = MeasurementMethods(
-                    U[i],
-                    parameters.measure_dir,
-                    parameters.measurements_with_flow;
-                    flow=true,
-                    additional_string = "_$(lpad(i-1, 3, "0")).txt"
-                )
             else
-                measurements[i] = MeasurementMethods(
-                    U[i], parameters.measure_dir, Dict[];
-                    additional_string="_$(lpad(i-1, 3, "0")).txt"
-                )
-                measurements_with_flow[i] = MeasurementMethods(
-                    U[i], parameters.measure_dir, Dict[];
-                    additional_string="_$(lpad(i-1, 3, "0")).txt"
-                )
+                measurements[i] = MeasurementMethods(U[i], parameters.measure_dir, Dict[])
             end
         end
-    else
-        gflow = GradientFlow(
-            U;
-            integrator=parameters.flow_integrator,
-            numflow=parameters.flow_num,
-            steps=parameters.flow_steps,
-            tf=parameters.flow_tf,
-            measure_every=parameters.flow_measure_every,
-        )
 
+        measurements_with_flow = ntuple(length(gflow)) do i
+            _measurements_with_flow = Vector{MeasurementMethods}(undef, numinstances)
+            _measurements_with_flow[1] = MeasurementMethods(
+                U[1],
+                parameters.measure_dir,
+                parameters.measurements_with_flow;
+                flow=gflow[i],
+                additional_string="_000.txt",
+            )
+
+            for j in 2:numinstances
+                if parameters.measure_on_all
+                    _measurements_with_flow[j] = MeasurementMethods(
+                        U[j],
+                        parameters.measure_dir,
+                        parameters.measurements_with_flow;
+                        flow=gflow[i],
+                        additional_string = "_$(lpad(j-1, 3, "0")).txt"
+                    )
+                else
+                    measure_dir = parameters.measure_dir
+                    _measurements_with_flow[i] = MeasurementMethods(U[i], measure_dir, Dict[])
+                end
+            end
+
+            _measurements_with_flow
+        end
+    else
+        gflow = construct_flow(U, parameters)
         measurements = MeasurementMethods(
             U, parameters.measure_dir, parameters.measurements;
             additional_string="_$(lpad(mpi_myrank(), 3, "0")).txt"
         )
-        measurements_with_flow = MeasurementMethods(
-            U, parameters.measure_dir, parameters.measurements_with_flow;
-            flow=true, additional_string="_$(lpad(mpi_myrank(), 3, "0")).txt"
-        )
+        measurements_with_flow = ntuple(length(gflow)) do i
+            MeasurementMethods(
+                U, parameters.measure_dir, parameters.measurements_with_flow;
+                flow=gflow[i], additional_string="_$(lpad(mpi_myrank(), 3, "0")).txt"
+            )
+        end
     end
 
     # initialize functor responsible for saving gaugefield configurations
@@ -345,10 +339,12 @@ function metaqcd!(
             _, mtime = @timed calc_measurements(
                 measurements, U, itrj, myinstance[]; mpi_multi_sim=mpi_multi_sim
             )
-            _, fmtime = @timed calc_measurements_flowed(
-                measurements_with_flow, gflow, U, itrj, myinstance[];
-                mpi_multi_sim=mpi_multi_sim
-            )
+            _, fmtime = @timed for i in eachindex(gflow)
+                calc_measurements_flowed(
+                    measurements_with_flow[i], gflow[i], U, itrj, myinstance[];
+                    mpi_multi_sim=mpi_multi_sim
+                )
+            end
             calc_weights(bias, U.CV, itrj, myinstance[]; mpi_multi_sim=mpi_multi_sim)
             @level1("|  Meas. elapsed time:     $(mtime)  [s]")
             @level1("|  FlowMeas. elapsed time: $(fmtime) [s]\n-")

src/measurements/Measurements.jl

@@ -28,7 +28,8 @@ import ..Fields: Gaugefield, Spinorfield, calc_gauge_action, check_dims, clover_
 import ..Fields: clover_square, global_dims, local_dims, float_type, plaquette, wilsonloop
 import ..Fields: @groupreduce, @latsum, Plaquette, Clover, Improved, CPU, ones!, set_source!
 import ..Fields: distributed_reduce, is_distributed, plaquette_trace_sum, wilsonloop
-import ..Smearing: StoutSmearing, calc_smearedU!, flow!
+import ..Smearing: AbstractSmearing, Cooling, GradientFlow, NoSmearing, StoutSmearing
+import ..Smearing: calc_smearedU!, flow!
 
 abstract type AbstractMeasurement end
 

src/measurements/measure_energy_density.jl

@@ -2,7 +2,7 @@ struct EnergyDensityMeasurement{T} <: AbstractMeasurement
     ED_dict::Dict{String,Float64} # energy density definition => value
     filename::T
     function EnergyDensityMeasurement(
-        U::Gaugefield; filename="", ED_methods=["clover"], flow=false
+        U::Gaugefield; filename="", ED_methods=["clover"], flow=NoSmearing()
     )
         ED_dict = Dict{String,Float64}()
 
@@ -28,7 +28,7 @@ struct EnergyDensityMeasurement{T} <: AbstractMeasurement
             rpath = StaticString(filename)
             header = ""
 
-            if flow
+            if flow == true || flow != NoSmearing()
                 header *= @sprintf("%-11s%-7s%-9s", "itrj", "iflow", "tflow")
             else
                 header *= @sprintf("%-11s", "itrj")
@@ -68,6 +68,7 @@ function measure(
     itrj=0,
     flow=nothing;
     mpi_multi_sim=false,
+    fstr="",
 ) where {T}
     ED_dict = m.ED_dict
     iflow, τ = isnothing(flow) ? (0, 0.0) : flow
@@ -81,7 +82,7 @@ function measure(
             E = ED_dict[method]
 
             if !isnothing(flow)
-                @level1("$itrj\t$E # energydensity_$(method)_flow_$(iflow)")
+                @level1("$itrj\t$E # energydensity_$(method)$(fstr)_$(iflow)")
             else
                 @level1("$itrj\t$E # energydensity_$(method)")
             end

src/measurements/measure_gauge_action.jl

@@ -2,7 +2,9 @@ struct GaugeActionMeasurement{T} <: AbstractMeasurement
     GA_dict::Dict{String,Float64} # gauge action definition => value
     factor::Float64 # 1 / (6*U.NV*U.β)
     filename::T
-    function GaugeActionMeasurement(U; filename="", GA_methods=["wilson"], flow=false)
+    function GaugeActionMeasurement(
+        U; filename="", GA_methods=["wilson"], flow=NoSmearing()
+    )
         GA_dict = Dict{String,Float64}()
 
         for method in GA_methods
@@ -14,7 +16,7 @@ struct GaugeActionMeasurement{T} <: AbstractMeasurement
             rpath = StaticString(filename)
             header = ""
 
-            if flow
+            if flow == true || flow == NoSmearing()
                 header *= @sprintf("%-11s%-7s%-9s", "itrj", "iflow", "tflow")
             else
                 header *= @sprintf("%-11s", "itrj")
@@ -55,6 +57,7 @@ function measure(
     itrj=0,
     flow=nothing;
     mpi_multi_sim=false,
+    fstr="",
 ) where {T}
     GA_dict = m.GA_dict
     iflow, τ = isnothing(flow) ? (0, 0.0) : flow
@@ -68,7 +71,7 @@ function measure(
             S = GA_dict[method]
 
             if !isnothing(flow)
-                @level1("$itrj\t$S # gaction_$(method)_flow_$(iflow)")
+                @level1("$itrj\t$S # gaction_$(method)$(fstr)_$(iflow)")
             else
                 @level1("$itrj\t$S # gaction_$(method)")
             end

src/measurements/measure_pion_correlator.jl

@@ -12,7 +12,7 @@ struct PionCorrelatorMeasurement{T,TD,TF,CT} <: AbstractMeasurement
         filename="",
         dirac_type="wilson",
         eo_precon=false,
-        flow=false,
+        flow=NoSmearing(),
         mass=0.1,
         csw=0,
         r=1,
@@ -58,7 +58,7 @@ struct PionCorrelatorMeasurement{T,TD,TF,CT} <: AbstractMeasurement
             rpath = StaticString(filename)
             header = ""
 
-            if flow
+            if flow == true || flow == NoSmearing()
                 header *= @sprintf("%-11s%-7s%-9s", "itrj", "iflow", "tflow")
             else
                 header *= @sprintf("%-11s", "itrj")
@@ -111,6 +111,7 @@ function measure(
     itrj=0,
     flow=nothing;
     mpi_multi_sim=false,
+    kwargs...,
 ) where {T}
     pion_correlators_avg!(
         m.pion_corr, m.dirac_operator(U), m.temp, m.cg_temps, m.cg_tol, m.cg_maxiters

src/measurements/measure_plaquette.jl

@@ -1,12 +1,12 @@
 struct PlaquetteMeasurement{T} <: AbstractMeasurement
     factor::Float64 # 1 / (6*U.NV*U.NC)
     filename::T
-    function PlaquetteMeasurement(U::Gaugefield; filename="", flow=false)
+    function PlaquetteMeasurement(U::Gaugefield; filename="", flow=NoSmearing())
         if !isnothing(filename) && filename != ""
             rpath = StaticString(filename)
             header = ""
 
-            if flow
+            if flow == true || flow == NoSmearing()
                 header *= @sprintf(
                     "%-11s%-7s%-9s%-25s", "itrj", "iflow", "tflow", "Re(plaq)"
                 )
@@ -40,13 +40,14 @@ function measure(
     itrj=0,
     flow=nothing;
     mpi_multi_sim=false,
+    fstr="",
 ) where {T}
     plaq = plaquette_trace_sum(U) * m.factor
     iflow, τ = isnothing(flow) ? (0, 0.0) : flow
 
     if !is_distributed(U) || mpi_amroot()
         if !isnothing(flow)
-            @level1("$itrj\t$plaq # plaq_flow_$(τ)")
+            @level1("$itrj\t$plaq # plaq$(fstr)_$(τ)")
         else
             @level1("$itrj\t$plaq # plaq")
         end

src/measurements/measure_polyakov.jl

@@ -1,6 +1,6 @@
 struct PolyakovMeasurement{T} <: AbstractMeasurement
     filename::T
-    function PolyakovMeasurement(U::Gaugefield; filename="", flow=false)
+    function PolyakovMeasurement(U::Gaugefield; filename="", flow=NoSmearing())
         if is_distributed(U)
             @assert U.topology.numprocs_cart[4] == 1 "Field cannot be decomposed in time direction for polykov loop calculation"
         end
@@ -9,7 +9,7 @@ struct PolyakovMeasurement{T} <: AbstractMeasurement
             rpath = StaticString(filename)
             header = ""
 
-            if flow
+            if flow == true || flow == NoSmearing()
                 header *= @sprintf(
                     "%-11s%-7s%-9s%-25s%-25s",
                     "itrj",
@@ -47,13 +47,14 @@ function measure(
     itrj=0,
     flow=nothing;
     mpi_multi_sim=false,
+    fstr="",
 ) where {T}
     poly = polyakov_traced(U)
     iflow, τ = isnothing(flow) ? (0, 0.0) : flow
 
     if !is_distributed(U) || mpi_amroot()
         if !isnothing(flow)
-            @level1("$itrj\t$(real(poly)) + $(imag(poly))im # poly_flow_$(τ)")
+            @level1("$itrj\t$(real(poly)) + $(imag(poly))im # poly$(fstr)_$(τ)")
         else
             @level1("$itrj\t$(real(poly)) + $(imag(poly))im # poly")
         end