implemented pmap in height fixing

abhirup-m · Jan 29, 2025 · 5f3590c · 5f3590c
1 parent cd2682b
commit 5f3590c
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Showing 4 changed files with 69 additions and 38 deletions.
diff --git a/Manifest.toml b/Manifest.toml
@@ -1,8 +1,8 @@
 # This file is machine-generated - editing it directly is not advised
 
-julia_version = "1.10.7"
+julia_version = "1.11.2"
 manifest_format = "2.0"
-project_hash = "4a00b4d413e72ea2f6526377c008c7569b5a81f4"
+project_hash = "c31ac22794d5e2d5b5b2c4d37e0aa18de7c370e9"
 
 [[deps.ANSIColoredPrinters]]
 git-tree-sha1 = "574baf8110975760d391c710b6341da1afa48d8c"
@@ -16,13 +16,15 @@ version = "0.4.5"
 
 [[deps.ArgTools]]
 uuid = "0dad84c5-d112-42e6-8d28-ef12dabb789f"
-version = "1.1.1"
+version = "1.1.2"
 
 [[deps.Artifacts]]
 uuid = "56f22d72-fd6d-98f1-02f0-08ddc0907c33"
+version = "1.11.0"
 
 [[deps.Base64]]
 uuid = "2a0f44e3-6c83-55bd-87e4-b1978d98bd5f"
+version = "1.11.0"
 
 [[deps.CodecZlib]]
 deps = ["TranscodingStreams", "Zlib_jll"]
@@ -43,10 +45,12 @@ version = "1.1.1+0"
 [[deps.Dates]]
 deps = ["Printf"]
 uuid = "ade2ca70-3891-5945-98fb-dc099432e06a"
+version = "1.11.0"
 
 [[deps.Distributed]]
 deps = ["Random", "Serialization", "Sockets"]
 uuid = "8ba89e20-285c-5b6f-9357-94700520ee1b"
+version = "1.11.0"
 
 [[deps.DocStringExtensions]]
 deps = ["LibGit2"]
@@ -69,10 +73,11 @@ version = "1.6.0"
 deps = ["Artifacts", "JLLWrappers", "Libdl"]
 git-tree-sha1 = "e51db81749b0777b2147fbe7b783ee79045b8e99"
 uuid = "2e619515-83b5-522b-bb60-26c02a35a201"
-version = "2.6.4+1"
+version = "2.6.4+3"
 
 [[deps.FileWatching]]
 uuid = "7b1f6079-737a-58dc-b8bc-7a2ca5c1b5ee"
+version = "1.11.0"
 
 [[deps.Git]]
 deps = ["Git_jll"]
@@ -95,12 +100,13 @@ version = "0.2.5"
 [[deps.InteractiveUtils]]
 deps = ["Markdown"]
 uuid = "b77e0a4c-d291-57a0-90e8-8db25a27a240"
+version = "1.11.0"
 
 [[deps.JLLWrappers]]
 deps = ["Artifacts", "Preferences"]
-git-tree-sha1 = "be3dc50a92e5a386872a493a10050136d4703f9b"
+git-tree-sha1 = "a007feb38b422fbdab534406aeca1b86823cb4d6"
 uuid = "692b3bcd-3c85-4b1f-b108-f13ce0eb3210"
-version = "1.6.1"
+version = "1.7.0"
 
 [[deps.JSON]]
 deps = ["Dates", "Mmap", "Parsers", "Unicode"]
@@ -121,16 +127,17 @@ version = "0.6.4"
 [[deps.LibCURL_jll]]
 deps = ["Artifacts", "LibSSH2_jll", "Libdl", "MbedTLS_jll", "Zlib_jll", "nghttp2_jll"]
 uuid = "deac9b47-8bc7-5906-a0fe-35ac56dc84c0"
-version = "8.4.0+0"
+version = "8.6.0+0"
 
 [[deps.LibGit2]]
 deps = ["Base64", "LibGit2_jll", "NetworkOptions", "Printf", "SHA"]
 uuid = "76f85450-5226-5b5a-8eaa-529ad045b433"
+version = "1.11.0"
 
 [[deps.LibGit2_jll]]
 deps = ["Artifacts", "LibSSH2_jll", "Libdl", "MbedTLS_jll"]
 uuid = "e37daf67-58a4-590a-8e99-b0245dd2ffc5"
-version = "1.6.4+0"
+version = "1.7.2+0"
 
 [[deps.LibSSH2_jll]]
 deps = ["Artifacts", "Libdl", "MbedTLS_jll"]
@@ -139,23 +146,27 @@ version = "1.11.0+1"
 
 [[deps.Libdl]]
 uuid = "8f399da3-3557-5675-b5ff-fb832c97cbdb"
+version = "1.11.0"
 
 [[deps.Libiconv_jll]]
 deps = ["Artifacts", "JLLWrappers", "Libdl"]
-git-tree-sha1 = "61dfdba58e585066d8bce214c5a51eaa0539f269"
+git-tree-sha1 = "be484f5c92fad0bd8acfef35fe017900b0b73809"
 uuid = "94ce4f54-9a6c-5748-9c1c-f9c7231a4531"
-version = "1.17.0+1"
+version = "1.18.0+0"
 
 [[deps.LinearAlgebra]]
 deps = ["Libdl", "OpenBLAS_jll", "libblastrampoline_jll"]
 uuid = "37e2e46d-f89d-539d-b4ee-838fcccc9c8e"
+version = "1.11.0"
 
 [[deps.Logging]]
 uuid = "56ddb016-857b-54e1-b83d-db4d58db5568"
+version = "1.11.0"
 
 [[deps.Markdown]]
 deps = ["Base64"]
 uuid = "d6f4376e-aef5-505a-96c1-9c027394607a"
+version = "1.11.0"
 
 [[deps.MarkdownAST]]
 deps = ["AbstractTrees", "Markdown"]
@@ -166,14 +177,15 @@ version = "0.1.2"
 [[deps.MbedTLS_jll]]
 deps = ["Artifacts", "Libdl"]
 uuid = "c8ffd9c3-330d-5841-b78e-0817d7145fa1"
-version = "2.28.2+1"
+version = "2.28.6+0"
 
 [[deps.Mmap]]
 uuid = "a63ad114-7e13-5084-954f-fe012c677804"
+version = "1.11.0"
 
 [[deps.MozillaCACerts_jll]]
 uuid = "14a3606d-f60d-562e-9121-12d972cd8159"
-version = "2023.1.10"
+version = "2023.12.12"
 
 [[deps.NetworkOptions]]
 uuid = "ca575930-c2e3-43a9-ace4-1e988b2c1908"
@@ -182,13 +194,13 @@ version = "1.2.0"
 [[deps.OpenBLAS_jll]]
 deps = ["Artifacts", "CompilerSupportLibraries_jll", "Libdl"]
 uuid = "4536629a-c528-5b80-bd46-f80d51c5b363"
-version = "0.3.23+4"
+version = "0.3.27+1"
 
 [[deps.OpenSSL_jll]]
 deps = ["Artifacts", "JLLWrappers", "Libdl"]
 git-tree-sha1 = "7493f61f55a6cce7325f197443aa80d32554ba10"
 uuid = "458c3c95-2e84-50aa-8efc-19380b2a3a95"
-version = "3.0.15+1"
+version = "3.0.15+3"
 
 [[deps.PCRE2_jll]]
 deps = ["Artifacts", "Libdl"]
@@ -202,9 +214,13 @@ uuid = "69de0a69-1ddd-5017-9359-2bf0b02dc9f0"
 version = "2.8.1"
 
 [[deps.Pkg]]
-deps = ["Artifacts", "Dates", "Downloads", "FileWatching", "LibGit2", "Libdl", "Logging", "Markdown", "Printf", "REPL", "Random", "SHA", "Serialization", "TOML", "Tar", "UUIDs", "p7zip_jll"]
+deps = ["Artifacts", "Dates", "Downloads", "FileWatching", "LibGit2", "Libdl", "Logging", "Markdown", "Printf", "Random", "SHA", "TOML", "Tar", "UUIDs", "p7zip_jll"]
 uuid = "44cfe95a-1eb2-52ea-b672-e2afdf69b78f"
-version = "1.10.0"
+version = "1.11.0"
+weakdeps = ["REPL"]
+
+    [deps.Pkg.extensions]
+    REPLExt = "REPL"
 
 [[deps.PrecompileTools]]
 deps = ["Preferences"]
@@ -221,6 +237,7 @@ version = "1.4.3"
 [[deps.Printf]]
 deps = ["Unicode"]
 uuid = "de0858da-6303-5e67-8744-51eddeeeb8d7"
+version = "1.11.0"
 
 [[deps.ProgressMeter]]
 deps = ["Distributed", "Printf"]
@@ -229,12 +246,14 @@ uuid = "92933f4c-e287-5a05-a399-4b506db050ca"
 version = "1.10.2"
 
 [[deps.REPL]]
-deps = ["InteractiveUtils", "Markdown", "Sockets", "Unicode"]
+deps = ["InteractiveUtils", "Markdown", "Sockets", "StyledStrings", "Unicode"]
 uuid = "3fa0cd96-eef1-5676-8a61-b3b8758bbffb"
+version = "1.11.0"
 
 [[deps.Random]]
 deps = ["SHA"]
 uuid = "9a3f8284-a2c9-5f02-9a11-845980a1fd5c"
+version = "1.11.0"
 
 [[deps.RegistryInstances]]
 deps = ["LazilyInitializedFields", "Pkg", "TOML", "Tar"]
@@ -248,9 +267,15 @@ version = "0.7.0"
 
 [[deps.Serialization]]
 uuid = "9e88b42a-f829-5b0c-bbe9-9e923198166b"
+version = "1.11.0"
 
 [[deps.Sockets]]
 uuid = "6462fe0b-24de-5631-8697-dd941f90decc"
+version = "1.11.0"
+
+[[deps.StyledStrings]]
+uuid = "f489334b-da3d-4c2e-b8f0-e476e12c162b"
+version = "1.11.0"
 
 [[deps.TOML]]
 deps = ["Dates"]
@@ -265,6 +290,7 @@ version = "1.10.0"
 [[deps.Test]]
 deps = ["InteractiveUtils", "Logging", "Random", "Serialization"]
 uuid = "8dfed614-e22c-5e08-85e1-65c5234f0b40"
+version = "1.11.0"
 
 [[deps.TranscodingStreams]]
 git-tree-sha1 = "0c45878dcfdcfa8480052b6ab162cdd138781742"
@@ -274,9 +300,11 @@ version = "0.11.3"
 [[deps.UUIDs]]
 deps = ["Random", "SHA"]
 uuid = "cf7118a7-6976-5b1a-9a39-7adc72f591a4"
+version = "1.11.0"
 
 [[deps.Unicode]]
 uuid = "4ec0a83e-493e-50e2-b9ac-8f72acf5a8f5"
+version = "1.11.0"
 
 [[deps.Zlib_jll]]
 deps = ["Libdl"]
@@ -291,7 +319,7 @@ version = "5.11.0+0"
 [[deps.nghttp2_jll]]
 deps = ["Artifacts", "Libdl"]
 uuid = "8e850ede-7688-5339-a07c-302acd2aaf8d"
-version = "1.52.0+1"
+version = "1.59.0+0"
 
 [[deps.p7zip_jll]]
 deps = ["Artifacts", "Libdl"]

diff --git a/Project.toml b/Project.toml
@@ -5,9 +5,13 @@ version = "0.1.0"
 
 [deps]
 Combinatorics = "861a8166-3701-5b0c-9a16-15d98fcdc6aa"
+Distributed = "8ba89e20-285c-5b6f-9357-94700520ee1b"
 Documenter = "e30172f5-a6a5-5a46-863b-614d45cd2de4"
 LinearAlgebra = "37e2e46d-f89d-539d-b4ee-838fcccc9c8e"
 ProgressMeter = "92933f4c-e287-5a05-a399-4b506db050ca"
 Random = "9a3f8284-a2c9-5f02-9a11-845980a1fd5c"
 Serialization = "9e88b42a-f829-5b0c-bbe9-9e923198166b"
 Test = "8dfed614-e22c-5e08-85e1-65c5234f0b40"
+
+[compat]
+Distributed = "1.11.0"
diff --git a/src/Fermions.jl b/src/Fermions.jl
@@ -1,6 +1,6 @@
 module Fermions
 
-using ProgressMeter, LinearAlgebra, Combinatorics
+using ProgressMeter, LinearAlgebra, Combinatorics, Distributed
 
 include("constants.jl")
 include("base.jl")

diff --git a/src/correlations.jl b/src/correlations.jl
@@ -388,36 +388,35 @@ function SpecFuncVariational(
         allowedRelError::Float64;
         standDevGuess::Float64=0.1,
         degenTol::Float64=0.,
-        normalise::Bool=false,
         silent::Bool=false,
         broadFuncType::String="lorentz",
         fixedContrib::Union{Nothing,Vector{Vector{Float64}}}=nothing,
         maxIter::Int64=30,
     )
-    totalFixedContrib = ifelse(isnothing(fixedContrib), nothing, sum(fixedContrib))
+    totalFixedContrib = ifelse(isnothing(fixedContrib), zeros(length(spectralCoefficients)), sum(fixedContrib))
 
     function RootFunction(standDev)
 
-        specFunc = sum([SpecFunc(coeffs, freqValues, standDev;
-                                 normalise=normalise, silent=silent,
-                                 broadFuncType=broadFuncType
-                                )
-                        for coeffs in spectralCoefficients]
-                      )
-        if !isnothing(totalFixedContrib)
-            specFunc .+= totalFixedContrib
-        end
-        specFunc = Normalise(specFunc, freqValues, true)
-        return specFunc
+        centerSpecFuncArr = pmap(coeffs -> SpecFunc(coeffs, freqValues, standDev;
+                                               normalise=false, silent=silent,
+                                               broadFuncType=broadFuncType
+                                              ),
+                            spectralCoefficients
+                           )
+        #=if !isnothing(totalFixedContrib)=#
+        #=    specFunc .+= totalFixedContrib=#
+        #=end=#
+        localSpecFunc = Normalise(sum(centerSpecFuncArr) .+ totalFixedContrib, freqValues, true)
+        return centerSpecFuncArr, localSpecFunc
     end
 
-    specFunc = RootFunction(standDevGuess)
+    centerSpecFuncArr, localSpecFunc = RootFunction(standDevGuess)
 
     if targetHeight == 0
-        return specFunc, standDevGuess
+        return centerSpecFuncArr, localSpecFunc, standDevGuess
     end
 
-    error = specFunc[freqValues .≥ 0][1] / targetHeight - 1.
+    error = localSpecFunc[freqValues .≥ 0][1] / targetHeight - 1.
     step = 0
     while abs(error) ≥ allowedRelError && step ≤ maxIter
         step += 1
@@ -426,16 +425,16 @@ function SpecFuncVariational(
         else
             standDevGuess /= (1 + abs(error))
         end
-        specFunc = RootFunction(standDevGuess)
-        error = specFunc[freqValues .≥ 0][1] / targetHeight - 1.
+        centerSpecFuncArr, localSpecFunc = RootFunction(standDevGuess)
+        error = localSpecFunc[freqValues .≥ 0][1] / targetHeight - 1.
     end
 
     if abs(error) < allowedRelError
         println("Converged in $(step) runs: η=$(standDevGuess)")
     else
         println("Failed to converge: error=$(abs(error))")
     end
-    return (specFunc, standDevGuess)
+    return (centerSpecFuncArr, localSpecFunc, standDevGuess)
 end
 export SpecFuncVariational