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OptimizationFunction with AutoForwardDiff doesn't work with sparse ODEProblem #3376

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tpdsantos opened this issue Feb 7, 2025 · 8 comments
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@tpdsantos
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Describe the bug 🐞

When trying to optimize an ODEProblem with sparse=true, the KLUFactorization gives an error with sparse matrices. With sparse=false the optimization runs as expected.

Minimal Reproducible Example 👇

using ModelingToolkit, OrdinaryDiffEq, SymbolicIndexingInterface
using Optimization, OptimizationOptimJL, ForwardDiff

using SciMLStructures: Tunable, replace
using ModelingToolkit: t_nounits as t, D_nounits as D

@mtkmodel robertson begin
    @parameters begin
        k[1:3] = [0.04, 3e7, 1e4]
    end
    @variables begin
        y(t)[1:3] = [1.0, 0.0, nothing]
    end
    @equations begin
        D(y)[1] ~ -k[1]*y[1] + k[3]*y[2]*y[3]
        D(y)[2] ~  k[1]*y[1] - k[3]*y[2]*y[3] - k[2]*y[2]*y[2]
        sum([y[i] for i in 1:3]) ~ 1
    end
end

@mtkbuild m = robertson()
prob = ODEProblem(m, [], (0.0, 1000), jac=true, sparse=true)

setter! = setp(m, (m.k[1], m.k[2], m.k[3]))
p0guess = [0.04, 3e7, 1e4]
ps = parameter_values(prob)
ps = replace(Tunable(), ps, Any[j for j in ps.tunable])
newprob = remake(prob, p = ps)

sol = solve(newprob, Rodas5P())
tsteps = copy(sol.t)
calc = Array(sol)
data = calc .+ 0.01*randn(size(calc))

function loss(x, p)
    odeprob = p[1]
    tsteps  = p[2]
    data    = p[3]

    setter!(odeprob, (x[1], x[2], x[3]))
    sol = solve(odeprob, Rodas5P(), saveat=tsteps)
    return sum(abs2, data .- Array(sol))
end

optfun = OptimizationFunction(loss, AutoForwardDiff())
optprob = OptimizationProblem(optfun, p0guess, (newprob, tsteps, data))
optsol = solve(optprob, BFGS())

Error & Stacktrace ⚠️

ERROR: MethodError: no method matching KLU.KLUFactorization(::SparseArrays.SparseMatrixCSC{ForwardDiff.Dual{ForwardDiff.Tag{…}, Float64, 3}, Int64})
The type `KLU.KLUFactorization` exists, but no method is defined for this combination of argument types when trying to construct it.

Closest candidates are:
  KLU.KLUFactorization(::Any, ::Any, ::Any, ::Any)
   @ KLU C:\Users\tiago.santos\.julia\packages\KLU\Eh2kE\src\KLU.jl:133
  KLU.KLUFactorization(::SparseArrays.SparseMatrixCSC{Tv, Ti}) where {Tv<:Union{Float64, ComplexF64}, Ti<:Union{Int32, Int64}}
   @ KLU C:\Users\tiago.santos\.julia\packages\KLU\Eh2kE\src\KLU.jl:167

Stacktrace:
  [1] init_cacheval(alg::LinearSolve.KLUFactorization, A::SparseArrays.SparseMatrixCSC{…}, b::Vector{…}, u::Vector{…}, Pl::LinearSolve.InvPreconditioner{…}, Pr::LinearAlgebra.Diagonal{…}, maxiters::Int64, abstol::ForwardDiff.Dual{…}, reltol::ForwardDiff.Dual{…}, verbose::Bool, assumptions::LinearSolve.OperatorAssumptions{…})
    @ LinearSolve C:\Users\tiago.santos\.julia\packages\LinearSolve\8iclj\src\factorization.jl:897
  [2] macro expansion
    @ C:\Users\tiago.santos\.julia\packages\LinearSolve\8iclj\src\default.jl:334 [inlined]
  [3] init_cacheval(alg::LinearSolve.DefaultLinearSolver, A::SparseArrays.SparseMatrixCSC{…}, b::Vector{…}, u::Vector{…}, Pl::LinearSolve.InvPreconditioner{…}, Pr::LinearAlgebra.Diagonal{…}, maxiters::Int64, abstol::ForwardDiff.Dual{…}, reltol::ForwardDiff.Dual{…}, verbose::Bool, assump::LinearSolve.OperatorAssumptions{…})
    @ LinearSolve C:\Users\tiago.santos\.julia\packages\LinearSolve\8iclj\src\default.jl:317
  [4] init(::LinearProblem{…}, ::LinearSolve.DefaultLinearSolver; alias_A::Bool, alias_b::Bool, abstol::Float64, reltol::Float64, maxiters::Int64, verbose::Bool, Pl::LinearSolve.InvPreconditioner{…}, Pr::LinearAlgebra.Diagonal{…}, assumptions::LinearSolve.OperatorAssumptions{…}, sensealg::LinearSolve.LinearSolveAdjoint{…}, kwargs::@Kwargs{})
    @ LinearSolve C:\Users\tiago.santos\.julia\packages\LinearSolve\8iclj\src\common.jl:201
  [5] init(::LinearProblem{…}, ::Nothing; assumptions::LinearSolve.OperatorAssumptions{…},
 kwargs::@Kwargs{})
    @ LinearSolve C:\Users\tiago.santos\.julia\packages\LinearSolve\8iclj\src\default.jl:296
  [6] alg_cache(alg::Rodas5P{…}, u::Vector{…}, rate_prototype::Vector{…}, ::Type{…}, ::Type{…}, ::Type{…}, uprev::Vector{…}, uprev2::Vector{…}, f::ODEFunction{…}, t::Float64, dt::Float64, reltol::Float64, p::MTKParameters{…}, calck::Bool, ::Val{…})
    @ OrdinaryDiffEqRosenbrock C:\Users\tiago.santos\.julia\packages\OrdinaryDiffEqRosenbrock\6r4An\src\rosenbrock_caches.jl:780
  [7] __init(prob::ODEProblem{…}, alg::Rodas5P{…}, timeseries_init::Tuple{}, ts_init::Tuple{}, ks_init::Tuple{}, recompile::Type{…}; saveat::Vector{…}, tstops::Tuple{}, d_discontinuities::Tuple{}, save_idxs::Nothing, save_everystep::Bool, save_on::Bool, save_start::Bool, save_end::Nothing, callback::Nothing, dense::Bool, calck::Bool, dt::Float64, dtmin::Float64, dtmax::Float64, force_dtmin::Bool, adaptive::Bool, gamma::Rational{…}, abstol::Nothing, reltol::Nothing, qmin::Rational{…}, qmax::Int64, qsteady_min::Int64, qsteady_max::Rational{…}, beta1::Nothing, beta2::Nothing, qoldinit::Rational{…}, controller::Nothing, fullnormalize::Bool, failfactor::Int64, maxiters::Int64, internalnorm::typeof(DiffEqBase.ODE_DEFAULT_NORM), internalopnorm::typeof(LinearAlgebra.opnorm), isoutofdomain::typeof(DiffEqBase.ODE_DEFAULT_ISOUTOFDOMAIN), unstable_check::typeof(DiffEqBase.ODE_DEFAULT_UNSTABLE_CHECK), verbose::Bool, timeseries_errors::Bool, dense_errors::Bool, advance_to_tstop::Bool, stop_at_next_tstop::Bool, initialize_save::Bool, progress::Bool, progress_steps::Int64, progress_name::String, progress_message::typeof(DiffEqBase.ODE_DEFAULT_PROG_MESSAGE), progress_id::Symbol, userdata::Nothing, allow_extrapolation::Bool, initialize_integrator::Bool, alias::ODEAliasSpecifier, initializealg::OrdinaryDiffEqCore.DefaultInit, kwargs::@Kwargs{})
    @ OrdinaryDiffEqCore C:\Users\tiago.santos\.julia\packages\OrdinaryDiffEqCore\33WQj\src\solve.jl:406
  [8] __solve(::ODEProblem{…}, ::Rodas5P{…}; kwargs::@Kwargs{})
    @ OrdinaryDiffEqCore C:\Users\tiago.santos\.julia\packages\OrdinaryDiffEqCore\33WQj\src\solve.jl:6
  [9] solve_call(_prob::ODEProblem{…}, args::Rodas5P{…}; merge_callbacks::Bool, kwargshandle::Nothing, kwargs::@Kwargs{})
    @ DiffEqBase C:\Users\tiago.santos\.julia\packages\DiffEqBase\R2Vjs\src\solve.jl:634
 [10] solve_up(prob::ODEProblem{…}, sensealg::Nothing, u0::Vector{…}, p::MTKParameters{…},
 args::Rodas5P{…}; kwargs::@Kwargs{})
    @ DiffEqBase C:\Users\tiago.santos\.julia\packages\DiffEqBase\R2Vjs\src\solve.jl:1122
 [11] solve_up
    @ C:\Users\tiago.santos\.julia\packages\DiffEqBase\R2Vjs\src\solve.jl:1101 [inlined]
 [12] solve(prob::ODEProblem{…}, args::Rodas5P{…}; sensealg::Nothing, u0::Nothing, p::Nothing, wrap::Val{…}, kwargs::@Kwargs{})
    @ DiffEqBase C:\Users\tiago.santos\.julia\packages\DiffEqBase\R2Vjs\src\solve.jl:1038
 [13] (::var"#loss#263"{})(x::Vector{…}, p::Tuple{…})
    @ Main C:\Users\tiago.santos\OneDrive - iBET\WIP\Immobilized Benzonase\test-optim-sparsity.jl:53
 [14] FixTail
    @ C:\Users\tiago.santos\.julia\packages\DifferentiationInterface\UWUBZ\src\utils\context.jl:7 [inlined]
 [15] vector_mode_dual_eval!
    @ C:\Users\tiago.santos\.julia\packages\ForwardDiff\UBbGT\src\apiutils.jl:24 [inlined]
 [16] vector_mode_gradient!(result::Vector{…}, f::DifferentiationInterface.FixTail{…}, x::Vector{…}, cfg::ForwardDiff.GradientConfig{…})
    @ ForwardDiff C:\Users\tiago.santos\.julia\packages\ForwardDiff\UBbGT\src\gradient.jl:98
 [17] gradient!
    @ C:\Users\tiago.santos\.julia\packages\ForwardDiff\UBbGT\src\gradient.jl:39 [inlined]
 [18] gradient!(f::var"#loss#263"{}, grad::Vector{…}, prep::DifferentiationInterfaceForwardDiffExt.ForwardDiffGradientPrep{…}, backend::AutoForwardDiff{…}, x::Vector{…}, contexts::DifferentiationInterface.Constant{…})
    @ DifferentiationInterfaceForwardDiffExt C:\Users\tiago.santos\.julia\packages\DifferentiationInterface\UWUBZ\ext\DifferentiationInterfaceForwardDiffExt\onearg.jl:362
 [19] (::OptimizationBase.var"#grad#16"{})(res::Vector{…}, θ::Vector{…})
    @ OptimizationBase C:\Users\tiago.santos\.julia\packages\OptimizationBase\gvXsf\src\OptimizationDIExt.jl:28
 [20] (::OptimizationOptimJL.var"#8#14"{})(G::Vector{…}, θ::Vector{…})
    @ OptimizationOptimJL C:\Users\tiago.santos\.julia\packages\OptimizationOptimJL\e3bUa\src\OptimizationOptimJL.jl:166
 [21] value_gradient!!(obj::TwiceDifferentiable{Float64, Vector{…}, Matrix{…}, Vector{…}},
 x::Vector{Float64})
    @ NLSolversBase C:\Users\tiago.santos\.julia\packages\NLSolversBase\kavn7\src\interface.jl:82
 [22] initial_state(method::BFGS{…}, options::Optim.Options{…}, d::TwiceDifferentiable{…},
 initial_x::Vector{…})
    @ Optim C:\Users\tiago.santos\.julia\packages\Optim\HvjCd\src\multivariate\solvers\first_order\bfgs.jl:94
 [23] optimize(d::TwiceDifferentiable{…}, initial_x::Vector{…}, method::BFGS{…}, options::Optim.Options{…})
    @ Optim C:\Users\tiago.santos\.julia\packages\Optim\HvjCd\src\multivariate\optimize\optimize.jl:36
 [24] __solve(cache::OptimizationCache{…})
    @ OptimizationOptimJL C:\Users\tiago.santos\.julia\packages\OptimizationOptimJL\e3bUa\src\OptimizationOptimJL.jl:218
 [25] solve!(cache::OptimizationCache{…})
    @ SciMLBase C:\Users\tiago.santos\.julia\packages\SciMLBase\Pma4a\src\solve.jl:187
 [26] solve(::OptimizationProblem{…}, ::BFGS{…}; kwargs::@Kwargs{})
    @ SciMLBase C:\Users\tiago.santos\.julia\packages\SciMLBase\Pma4a\src\solve.jl:95
 [27] solve(::OptimizationProblem{…}, ::BFGS{…})
    @ SciMLBase C:\Users\tiago.santos\.julia\packages\SciMLBase\Pma4a\src\solve.jl:92
 [28] sparsity_optim(; isplot::Bool)
    @ Main C:\Users\tiago.santos\OneDrive - iBET\WIP\Immobilized Benzonase\test-optim-sparsity.jl:60
 [29] sparsity_optim()
    @ Main C:\Users\tiago.santos\OneDrive - iBET\WIP\Immobilized Benzonase\test-optim-sparsity.jl:11
 [30] top-level scope
    @ REPL[105]:1
Some type information was truncated. Use `show(err)` to see complete types.

Environment (please complete the following information):

  • Output of using Pkg; Pkg.status()
Status `C:\Users\tiago.santos\.julia\environments\v1.11\Project.toml`
  [47edcb42] ADTypes v1.12.1
  [6e4b80f9] BenchmarkTools v1.6.0
  [336ed68f] CSV v0.10.15
⌃ [13f3f980] CairoMakie v0.12.18
  [501788e0] CollocationMethods v0.1.0 `..\..\..\OneDrive - iBET\WIP\Repositories\CollocationMethods`
  [a93c6f00] DataFrames v1.7.0
  [0c46a032] DifferentialEquations v7.15.0
  [06fc5a27] DynamicQuantities v1.4.0
  [7da242da] Enzyme v0.13.29
  [f6369f11] ForwardDiff v0.10.38
⌃ [e9467ef8] GLMakie v0.10.18
  [6042db11] JDBC v0.5.0
  [682c06a0] JSON v0.21.4
  [4076af6c] JuMP v1.24.0
  [2fda8390] LsqFit v0.15.0
  [65ed5ab3] ModelingBI v0.1.0 `C:\Users\tiago.santos\OneDrive - iBET\WIP\Repositories\ModelingBI`
  [961ee093] ModelingToolkit v9.62.0
  [8913a72c] NonlinearSolve v4.3.0
  [f5f84d89] NumericalTools v0.1.0 `..\..\..\OneDrive - iBET\WIP\Repositories\NumericalTools`
  [be6f12e9] ODBC v1.1.2
⌃ [7f7a1694] Optimization v4.1.0
  [36348300] OptimizationOptimJL v0.4.1
  [bac558e1] OrderedCollections v1.8.0
  [1dea7af3] OrdinaryDiffEq v6.91.0
  [127b3ac7] OrdinaryDiffEqNonlinearSolve v1.3.0
  [91a5bcdd] Plots v1.40.9
  [37e2e3b7] ReverseDiff v1.15.3
  [295af30f] Revise v3.7.2
  [0aa819cd] SQLite v1.6.1
  [1ed8b502] SciMLSensitivity v7.72.0
  [53ae85a6] SciMLStructures v1.6.1
  [efcf1570] Setfield v1.1.1
⌃ [9f842d2f] SparseConnectivityTracer v0.6.10
  [2efcf032] SymbolicIndexingInterface v0.3.37
  [61d0e4fa] Taro v0.8.5
  [fdbf4ff8] XLSX v0.10.4
⌅ [e88e6eb3] Zygote v0.6.75
Info Packages marked with ⌃ and ⌅ have new versions available. Those with ⌃ may be upgradable, but those with ⌅ are restricted by compatibility constraints from upgrading. To see why use `status --outdated`
  • Output of using Pkg; Pkg.status(; mode = PKGMODE_MANIFEST)
hy use `status --outdated`

julia> using Pkg; Pkg.status(; mode=PKGMODE_MANIFEST)
Status `C:\Users\tiago.santos\.julia\environments\v1.11\Manifest.toml`
  [47edcb42] ADTypes v1.12.1
  [621f4979] AbstractFFTs v1.5.0
  [1520ce14] AbstractTrees v0.4.5
  [7d9f7c33] Accessors v0.1.41
  [79e6a3ab] Adapt v4.1.1
  [35492f91] AdaptivePredicates v1.2.0
  [66dad0bd] AliasTables v1.1.3
  [a95523ee] AlmostBlockDiagonals v0.1.10
  [27a7e980] Animations v0.4.2
  [dce04be8] ArgCheck v2.4.0
  [ec485272] ArnoldiMethod v0.4.0
  [4fba245c] ArrayInterface v7.18.0
  [4c555306] ArrayLayouts v1.11.0
  [a9b6321e] Atomix v1.1.0
  [67c07d97] Automa v1.1.0
  [13072b0f] AxisAlgorithms v1.1.0
  [39de3d68] AxisArrays v0.4.7
⌃ [aae01518] BandedMatrices v1.9.0
  [6e4b80f9] BenchmarkTools v1.6.0
  [e2ed5e7c] Bijections v0.1.9
  [d1d4a3ce] BitFlags v0.1.9
  [62783981] BitTwiddlingConvenienceFunctions v0.1.6
⌃ [8e7c35d0] BlockArrays v1.3.0
  [764a87c0] BoundaryValueDiffEq v5.15.0
  [7227322d] BoundaryValueDiffEqAscher v1.3.0
  [56b672f2] BoundaryValueDiffEqCore v1.6.0
  [85d9eb09] BoundaryValueDiffEqFIRK v1.4.0
  [1a22d4ce] BoundaryValueDiffEqMIRK v1.4.0
  [9255f1d6] BoundaryValueDiffEqMIRKN v1.3.0
  [ed55bfe0] BoundaryValueDiffEqShooting v1.4.0
  [70df07ce] BracketingNonlinearSolve v1.1.0
  [fa961155] CEnum v0.5.0
  [2a0fbf3d] CPUSummary v0.2.6
  [00ebfdb7] CSTParser v3.4.3
  [336ed68f] CSV v0.10.15
  [159f3aea] Cairo v1.1.1
⌃ [13f3f980] CairoMakie v0.12.18
  [7057c7e9] Cassette v0.3.14
  [082447d4] ChainRules v1.72.2
  [d360d2e6] ChainRulesCore v1.25.1
  [fb6a15b2] CloseOpenIntervals v0.1.13
  [da1fd8a2] CodeTracking v1.3.6
  [523fee87] CodecBzip2 v0.8.5
  [6309b1aa] CodecInflate64 v0.1.3
  [944b1d66] CodecZlib v0.7.7
  [501788e0] CollocationMethods v0.1.0 `..\..\..\OneDrive - iBET\WIP\Repositories\CollocationMethods`
  [a2cac450] ColorBrewer v0.4.1
  [35d6a980] ColorSchemes v3.28.0
⌅ [3da002f7] ColorTypes v0.11.5
⌃ [c3611d14] ColorVectorSpace v0.10.0
  [5ae59095] Colors v0.13.0
  [861a8166] Combinatorics v1.0.2
  [a80b9123] CommonMark v0.8.15
  [38540f10] CommonSolve v0.2.4
  [bbf7d656] CommonSubexpressions v0.3.1
  [f70d9fcc] CommonWorldInvalidations v1.0.0
  [34da2185] Compat v4.16.0
  [b152e2b5] CompositeTypes v0.1.4
  [a33af91c] CompositionsBase v0.1.2
  [2569d6c7] ConcreteStructs v0.2.3
⌃ [f0e56b4a] ConcurrentUtilities v2.4.3
  [88cd18e8] ConsoleProgressMonitor v0.1.2
  [187b0558] ConstructionBase v1.5.8
  [d38c429a] Contour v0.6.3
  [adafc99b] CpuId v0.3.1
  [a8cc5b0e] Crayons v4.1.1
  [a10d1c49] DBInterface v2.6.1
  [9a962f9c] DataAPI v1.16.0
  [a93c6f00] DataFrames v1.7.0
  [864edb3b] DataStructures v0.18.20
  [e2d170a0] DataValueInterfaces v1.0.0
  [55939f99] DecFP v1.3.3
  [927a84f5] DelaunayTriangulation v1.6.4
  [bcd4f6db] DelayDiffEq v5.52.0
  [8bb1440f] DelimitedFiles v1.9.1
  [2b5f629d] DiffEqBase v6.161.0
  [459566f4] DiffEqCallbacks v4.2.2
  [77a26b50] DiffEqNoiseProcess v5.24.1
  [163ba53b] DiffResults v1.1.0
  [b552c78f] DiffRules v1.15.1
  [0c46a032] DifferentialEquations v7.15.0
  [a0c0ee7d] DifferentiationInterface v0.6.39
  [8d63f2c5] DispatchDoctor v0.4.19
  [b4f34e82] Distances v0.10.12
  [31c24e10] Distributions v0.25.117
  [ffbed154] DocStringExtensions v0.9.3
  [5b8099bc] DomainSets v0.7.15
  [7c1d4256] DynamicPolynomials v0.6.1
  [06fc5a27] DynamicQuantities v1.4.0
  [4e289a0a] EnumX v1.0.4
  [7da242da] Enzyme v0.13.29
  [f151be2c] EnzymeCore v0.8.8
  [429591f6] ExactPredicates v2.2.8
  [460bff9d] ExceptionUnwrapping v0.1.11
  [d4d017d3] ExponentialUtilities v1.27.0
  [e2ba6199] ExprTools v0.1.10
⌅ [6b7a57c9] Expronicon v0.8.5
  [411431e0] Extents v0.1.5
  [8f5d6c58] EzXML v1.2.0
  [c87230d0] FFMPEG v0.4.2
  [7a1cc6ca] FFTW v1.8.1
  [9d29842c] FastAlmostBandedMatrices v0.1.4
  [7034ab61] FastBroadcast v0.3.5
  [9aa1b823] FastClosures v0.3.2
  [442a2c76] FastGaussQuadrature v1.0.2
  [29a986be] FastLapackInterface v2.0.4
  [a4df4552] FastPower v1.1.1
  [5789e2e9] FileIO v1.16.6
  [8fc22ac5] FilePaths v0.8.3
  [48062228] FilePathsBase v0.9.23
  [1a297f60] FillArrays v1.13.0
  [64ca27bc] FindFirstFunctions v1.4.1
  [6a86dc24] FiniteDiff v2.27.0
  [53c48c17] FixedPointNumbers v0.8.5
  [1fa38f19] Format v1.3.7
  [f6369f11] ForwardDiff v0.10.38
  [b38be410] FreeType v4.1.1
  [663a7486] FreeTypeAbstraction v0.10.6
  [f62d2435] FunctionProperties v0.1.2
  [069b7b12] FunctionWrappers v1.1.3
  [77dc65aa] FunctionWrappersWrappers v0.1.3
  [d9f16b24] Functors v0.5.2
  [f7f18e0c] GLFW v3.4.3
⌃ [e9467ef8] GLMakie v0.10.18
⌃ [0c68f7d7] GPUArrays v11.2.1
  [46192b85] GPUArraysCore v0.2.0
⌃ [61eb1bfa] GPUCompiler v1.1.0
  [28b8d3ca] GR v0.73.12
  [c145ed77] GenericSchur v0.5.4
  [68eda718] GeoFormatTypes v0.4.4
  [cf35fbd7] GeoInterface v1.4.1
⌅ [5c1252a2] GeometryBasics v0.4.11
  [c27321d9] Glob v1.3.1
  [a2bd30eb] Graphics v1.1.3
  [86223c79] Graphs v1.12.0
  [3955a311] GridLayoutBase v0.11.1
  [42e2da0e] Grisu v1.0.2
  [cd3eb016] HTTP v1.10.15
  [076d061b] HashArrayMappedTries v0.2.0
  [3e5b6fbb] HostCPUFeatures v0.1.17
  [34004b35] HypergeometricFunctions v0.3.27
  [7869d1d1] IRTools v0.4.14
  [615f187c] IfElse v0.1.1
  [2803e5a7] ImageAxes v0.6.12
  [c817782e] ImageBase v0.1.7
  [a09fc81d] ImageCore v0.10.5
  [82e4d734] ImageIO v0.6.9
  [bc367c6b] ImageMetadata v0.9.10
  [9b13fd28] IndirectArrays v1.0.0
  [d25df0c9] Inflate v0.1.5
  [842dd82b] InlineStrings v1.4.2
  [0c81fc1b] InputBuffers v1.0.0
  [18e54dd8] IntegerMathUtils v0.1.2
  [a98d9a8b] Interpolations v0.15.1
  [d1acc4aa] IntervalArithmetic v0.22.22
  [8197267c] IntervalSets v0.7.10
  [3587e190] InverseFunctions v0.1.17
  [41ab1584] InvertedIndices v1.3.1
  [92d709cd] IrrationalConstants v0.2.4
  [f1662d9f] Isoband v0.1.1
  [c8e1da08] IterTools v1.10.0
  [82899510] IteratorInterfaceExtensions v1.0.0
  [6042db11] JDBC v0.5.0
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  [4ec0a83e] Unicode v1.11.0
  [e66e0078] CompilerSupportLibraries_jll v1.1.1+0
  [deac9b47] LibCURL_jll v8.6.0+0
  [e37daf67] LibGit2_jll v1.7.2+0
  [29816b5a] LibSSH2_jll v1.11.0+1
  [c8ffd9c3] MbedTLS_jll v2.28.6+0
  [14a3606d] MozillaCACerts_jll v2023.12.12
  [4536629a] OpenBLAS_jll v0.3.27+1
  [05823500] OpenLibm_jll v0.8.1+2
  [efcefdf7] PCRE2_jll v10.42.0+1
  [bea87d4a] SuiteSparse_jll v7.7.0+0
  [83775a58] Zlib_jll v1.2.13+1
  [8e850b90] libblastrampoline_jll v5.11.0+0
  [8e850ede] nghttp2_jll v1.59.0+0
  [3f19e933] p7zip_jll v17.4.0+2
Info Packages marked with ⌃ and ⌅ have new versions available. Those with ⌃ may be upgradable, but those with ⌅ are restricted by compatibility constraints from upgrading. To see why use `status --outdated -m`
  • Output of versioninfo()
Julia Version 1.11.3
Commit d63adeda50 (2025-01-21 19:42 UTC)
Build Info:
  Official https://julialang.org/ release
Platform Info:
  OS: Windows (x86_64-w64-mingw32)
  CPU: 8 × Intel(R) Core(TM) i5-10310U CPU @ 1.70GHz
  WORD_SIZE: 64
  LLVM: libLLVM-16.0.6 (ORCJIT, skylake)
Threads: 1 default, 0 interactive, 1 GC (on 8 virtual cores)

Additional context

Add any other context about the problem here.

@tpdsantos tpdsantos added the bug Something isn't working label Feb 7, 2025
@ChrisRackauckas
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Needs using Sparspak now with LinearSolve.jl v3. We should get a better error message on that.

@tpdsantos
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I'm trying to replicate this in Ubuntu 24.04 and adding using Sparspak does not solve the issue... Also, the default LinearSolve is version 2.39

@ChrisRackauckas
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can you show me what you ran? and try v3

@tpdsantos
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I'm trying to install v3 first, but it says that in order to install it, I need DifferentialEquations v5 or v6... I'll try to downgrade to see if it's fixed

@tpdsantos
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tpdsantos commented Feb 11, 2025

]I ran a fresh install of Julia with only the necessary packages. While trying to install LinearSolve v3 I get the following compatibility error:

ERROR: Unsatisfiable requirements detected for package RecursiveArrayTools [731186ca]:
 RecursiveArrayTools [731186ca] log:
 ├─possible versions are: 0.16.0 - 3.29.0 or uninstalled
 ├─restricted by compatibility requirements with LinearSolve [7ed4a6bd] to versions: 3.8.0 - 3.29.0 or uninstalled, leaving only versions: 3.8.0 - 3.29.0
 │ └─LinearSolve [7ed4a6bd] log:
 │   ├─possible versions are: 0.1.0 - 3.0.0 or uninstalled
 │   ├─restricted to versions * by project [43a2c169], leaving only versions: 0.1.0 - 3.0.0
 │   │ └─project [43a2c169] log:
 │   │   ├─possible versions are: 0.0.0 or uninstalled
 │   │   └─project [43a2c169] is fixed to version 0.0.0
 │   └─restricted to versions 3 by an explicit requirement, leaving only versions: 3.0.0
 └─restricted by compatibility requirements with DifferentialEquations [0c46a032] to versions: 0.16.0 - 2.38.10 — no versions left
   └─DifferentialEquations [0c46a032] log:
     ├─possible versions are: 5.0.0 - 7.15.0 or uninstalled
     ├─restricted to versions * by project [43a2c169], leaving only versions: 5.0.0 - 7.15.0
     │ └─project [43a2c169] log: see above
     └─restricted by compatibility requirements with LinearSolve [7ed4a6bd] to versions: 5.0.0 - 6.20.0 or uninstalled, leaving only versions: 5.0.0 - 6.20.0
       └─LinearSolve [7ed4a6bd] log: see above

The packages that are installed:

@v1.11) pkg> status
Status `~/.julia/environments/v1.11/Project.toml`
  [336ed68f] CSV v0.10.15
⌃ [13f3f980] CairoMakie v0.12.18
  [501788e0] CollocationMethods v0.1.0 `../../../OneDrive/WIP/Repositories/CollocationMethods`
  [a93c6f00] DataFrames v1.7.0
   [0c46a032] DifferentialEquations v7.16.0
  [f6369f11] ForwardDiff v0.10.38
⌃ [e9467ef8] GLMakie v0.10.18
⌅ [7ed4a6bd] LinearSolve v2.39.0
  [2fda8390] LsqFit v0.15.0
  [65ed5ab3] ModelingBI v0.1.0 `../../../OneDrive/WIP/Repositories/ModelingBI`
  [961ee093] ModelingToolkit v9.62.0
  [f5f84d89] NumericalTools v0.1.0 `../../../OneDrive/WIP/Repositories/NumericalTools`
  [7f7a1694] Optimization v4.1.1
  [36348300] OptimizationOptimJL v0.4.1
  [1dea7af3] OrdinaryDiffEq v6.91.0
  [53ae85a6] SciMLStructures v1.6.1
  [e56a9233] Sparspak v0.3.9
  [2efcf032] SymbolicIndexingInterface v0.3.37
  [3bb67fe8] TranscodingStreams v0.11.3
Info Packages marked with ⌃ and ⌅ have new versions available. Those with ⌃ may be upgradable, but those with ⌅ are restricted by compatibility constraints from upgrading. To see why use `status --outdated`

@ChrisRackauckas
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Already latest releases should untangle that now.

To be clear, this shouldn't be an issue even on the earlier versions, but at least I'm testing on v3 just fine.

Let me know if it's not just a versioning thing. I'll be at an Intel CPU in a bit and it could be something BLAS-dependent.

@tpdsantos
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tpdsantos commented Feb 14, 2025

It fixed the KLUFactorization issue but now I have this error:

ERROR: UndefVarError: `DefaultLinearSolver` not defined in `LinearSolveSparseArraysExt`
Suggestion: check for spelling errors or missing imports.
Stacktrace:
  [1] defaultalg(A::SparseArrays.SparseMatrixCSC{ForwardDiff.Dual{ForwardDiff.Tag{…}, Float64, 3}, Int64}, b::Vector{ForwardDiff.Dual{ForwardDiff.Tag{…}, Float64, 3}}, assump::OperatorAssumptions{Bool})
    @ LinearSolveSparseArraysExt ~/.julia/packages/LinearSolve/SFMdw/ext/LinearSolveSparseArraysExt.jl:49
  [2] init(::LinearProblem{…}, ::Nothing; assumptions::OperatorAssumptions{…}, kwargs::@Kwargs{})
    @ LinearSolve ~/.julia/packages/LinearSolve/SFMdw/src/default.jl:270
  [3] init
    @ ~/.julia/packages/LinearSolve/SFMdw/src/default.jl:266 [inlined]
  [4] alg_cache(alg::Rodas5P{…}, u::Vector{…}, rate_prototype::Vector{…}, ::Type{…}, ::Type{…}, ::Type{…}, uprev::Vector{…}, uprev2::Vector{…}, f::ODEFunction{…}, t::Float64, dt::Float64, reltol::ForwardDiff.Dual{…}, p::MTKParameters{…}, calck::Bool, ::Val{…})
    @ OrdinaryDiffEqRosenbrock ~/.julia/packages/OrdinaryDiffEqRosenbrock/bW9xh/src/rosenbrock_caches.jl:780
  [5] __init(prob::ODEProblem{…}, alg::Rodas5P{…}, timeseries_init::Tuple{}, ts_init::Tuple{}, ks_init::Tuple{}, recompile::Type{…}; saveat::Vector{…}, tstops::Tuple{}, d_discontinuities::Tuple{}, save_idxs::Nothing, save_everystep::Bool, save_on::Bool, save_start::Bool, save_end::Nothing, callback::Nothing, dense::Bool, calck::Bool, dt::Float64, dtmin::Float64, dtmax::Float64, force_dtmin::Bool, adaptive::Bool, gamma::Rational{…}, abstol::Nothing, reltol::Nothing, qmin::Rational{…}, qmax::Int64, qsteady_min::Int64, qsteady_max::Rational{…}, beta1::Nothing, beta2::Nothing, qoldinit::Rational{…}, controller::Nothing, fullnormalize::Bool, failfactor::Int64, maxiters::Int64, internalnorm::typeof(DiffEqBase.ODE_DEFAULT_NORM), internalopnorm::typeof(LinearAlgebra.opnorm), isoutofdomain::typeof(DiffEqBase.ODE_DEFAULT_ISOUTOFDOMAIN), unstable_check::typeof(DiffEqBase.ODE_DEFAULT_UNSTABLE_CHECK), verbose::Bool, timeseries_errors::Bool, dense_errors::Bool, advance_to_tstop::Bool, stop_at_next_tstop::Bool, initialize_save::Bool, progress::Bool, progress_steps::Int64, progress_name::String, progress_message::typeof(DiffEqBase.ODE_DEFAULT_PROG_MESSAGE), progress_id::Symbol, userdata::Nothing, allow_extrapolation::Bool, initialize_integrator::Bool, alias::ODEAliasSpecifier, initializealg::OrdinaryDiffEqCore.DefaultInit, kwargs::@Kwargs{})
    @ OrdinaryDiffEqCore ~/.julia/packages/OrdinaryDiffEqCore/oa4Vj/src/solve.jl:406
  [6] __init (repeats 5 times)
    @ ~/.julia/packages/OrdinaryDiffEqCore/oa4Vj/src/solve.jl:11 [inlined]
  [7] __solve(::ODEProblem{…}, ::Rodas5P{…}; kwargs::@Kwargs{})
    @ OrdinaryDiffEqCore ~/.julia/packages/OrdinaryDiffEqCore/oa4Vj/src/solve.jl:6
  [8] __solve
    @ ~/.julia/packages/OrdinaryDiffEqCore/oa4Vj/src/solve.jl:1 [inlined]
  [9] #solve_call#35
    @ ~/.julia/packages/DiffEqBase/TQ6hN/src/solve.jl:635 [inlined]
 [10] solve_up(prob::ODEProblem{…}, sensealg::Nothing, u0::Vector{…}, p::MTKParameters{…}, args::Rodas5P{…}; kwargs::@Kwargs{})
    @ DiffEqBase ~/.julia/packages/DiffEqBase/TQ6hN/src/solve.jl:1124
 [11] solve_up
    @ ~/.julia/packages/DiffEqBase/TQ6hN/src/solve.jl:1102 [inlined]
 [12] solve(prob::ODEProblem{…}, args::Rodas5P{…}; sensealg::Nothing, u0::Nothing, p::Nothing, wrap::Val{…}, kwargs::@Kwargs{})
    @ DiffEqBase ~/.julia/packages/DiffEqBase/TQ6hN/src/solve.jl:1039
 [13] (::var"#loss#10"{SymbolicIndexingInterface.ParameterHookWrapper{}})(x::Vector{ForwardDiff.Dual{…}}, args::Tuple{ODESystem, ODEProblem{…}, Vector{…}, Vector{…}})
    @ Main ~/OneDrive/WIP/Immobilized Benzonase/BI-optims.jl:93
 [14] #7
    @ ~/OneDrive/WIP/Immobilized Benzonase/BI-optims.jl:114 [inlined]
 [15] FixTail
    @ ~/.julia/packages/DifferentiationInterface/srtnM/src/utils/context.jl:7 [inlined]
 [16] vector_mode_dual_eval!
    @ ~/.julia/packages/ForwardDiff/UBbGT/src/apiutils.jl:24 [inlined]
 [17] vector_mode_gradient!(result::Vector{Float64}, f::DifferentiationInterface.FixTail{var"#7#12"{…}, Tuple{…}}, x::Vector{Float64}, cfg::ForwardDiff.GradientConfig{ForwardDiff.Tag{…}, Float64, 3, Vector{…}})
    @ ForwardDiff ~/.julia/packages/ForwardDiff/UBbGT/src/gradient.jl:98
 [18] gradient!
    @ ~/.julia/packages/ForwardDiff/UBbGT/src/gradient.jl:39 [inlined]
 [19] gradient!(f::var"#7#12"{}, grad::Vector{…}, prep::DifferentiationInterfaceForwardDiffExt.ForwardDiffGradientPrep{…}, backend::AutoForwardDiff{…}, x::Vector{…}, contexts::DifferentiationInterface.Constant{…})
    @ DifferentiationInterfaceForwardDiffExt ~/.julia/packages/DifferentiationInterface/srtnM/ext/DifferentiationInterfaceForwardDiffExt/onearg.jl:362
 [20] (::OptimizationBase.var"#grad#16"{SciMLBase.NullParameters, OptimizationFunction{}, AutoForwardDiff{}})(res::Vector{Float64}, θ::Vector{Float64})
    @ OptimizationBase ~/.julia/packages/OptimizationBase/gvXsf/src/OptimizationDIExt.jl:28
 [21] (::OptimizationOptimJL.var"#19#23"{OptimizationCache{}, OptimizationOptimJL.var"#18#22"{}})(G::Vector{Float64}, θ::Vector{Float64})
    @ OptimizationOptimJL ~/.julia/packages/OptimizationOptimJL/e3bUa/src/OptimizationOptimJL.jl:285
 [22] value_gradient!!(obj::OnceDifferentiable{Float64, Vector{Float64}, Vector{Float64}}, x::Vector{Float64})
    @ NLSolversBase ~/.julia/packages/NLSolversBase/kavn7/src/interface.jl:82
 [23] value_gradient!!(bw::Optim.BarrierWrapper{OnceDifferentiable{Float64, Vector{Float64}, Vector{Float64}}, Optim.BoxBarrier{Vector{Float64}, Vector{Float64}}, Float64, Float64, Vector{Float64}}, x::Vector{Float64})
    @ Optim ~/.julia/packages/Optim/HvjCd/src/multivariate/solvers/constrained/fminbox.jl:81
 [24] initial_state(method::BFGS{…}, options::Optim.Options{…}, d::Optim.BarrierWrapper{…}, initial_x::Vector{…})
    @ Optim ~/.julia/packages/Optim/HvjCd/src/multivariate/solvers/first_order/bfgs.jl:94
 [25] optimize(df::OnceDifferentiable{…}, l::Vector{…}, u::Vector{…}, initial_x::Vector{…}, F::Fminbox{…}, options::Optim.Options{…})
    @ Optim ~/.julia/packages/Optim/HvjCd/src/multivariate/solvers/constrained/fminbox.jl:322
 [26] __solve(cache::OptimizationCache{OptimizationFunction{…}, OptimizationBase.ReInitCache{…}, Vector{…}, Vector{…}, Nothing, Nothing, Nothing, Fminbox{…}, Bool, var"#track_results#11", Nothing})
    @ OptimizationOptimJL ~/.julia/packages/OptimizationOptimJL/e3bUa/src/OptimizationOptimJL.jl:312
 [27] solve!(cache::OptimizationCache{OptimizationFunction{…}, OptimizationBase.ReInitCache{…}, Vector{…}, Vector{…}, Nothing, Nothing, Nothing, Fminbox{…}, Bool, var"#track_results#11", Nothing})
    @ SciMLBase ~/.julia/packages/SciMLBase/YTOjh/src/solve.jl:187
 [28] solve(::OptimizationProblem{…}, ::BFGS{…}; kwargs::@Kwargs{})
    @ SciMLBase ~/.julia/packages/SciMLBase/YTOjh/src/solve.jl:95
 [29] CST_ED_optim_prob(linsolver::AutoForwardDiff{nothing, Nothing}; isplot::Bool)
    @ Main ~/OneDrive/WIP/Immobilized Benzonase/BI-optims.jl:119
 [30] CST_ED_optim_prob(linsolver::AutoForwardDiff{nothing, Nothing})
    @ Main ~/OneDrive/WIP/Immobilized Benzonase/BI-optims.jl:65
 [31] top-level scope
    @ REPL[12]:1
Some type information was truncated. Use `show(err)` to see complete types.

Do I need to add any extra argument?

Output of versioninfo()

Julia Version 1.11.3
Commit d63adeda50d (2025-01-21 19:42 UTC)
Build Info:
  Official https://julialang.org/ release
Platform Info:
  OS: Linux (x86_64-linux-gnu)
  CPU: 4 × Intel(R) Xeon(R) Gold 6242 CPU @ 2.80GHz
  WORD_SIZE: 64
  LLVM: libLLVM-16.0.6 (ORCJIT, cascadelake)
Threads: 1 default, 0 interactive, 1 GC (on 4 virtual cores)

@tpdsantos
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after new updates, the old error message about the KLU.Factorization came back, running the exact same problem:

ERROR: MethodError: no method matching LinearSolveSparseArraysExt.KLU.KLUFactorization(::SparseArrays.SparseMatrixCSC{ForwardDiff.Dual{ForwardDiff.Tag{…}, Float64, 3}, Int64})
The type `LinearSolveSparseArraysExt.KLU.KLUFactorization` exists, but no method is defined for this combination of argument types when trying to construct it.

Closest candidates are:
  LinearSolveSparseArraysExt.KLU.KLUFactorization(::Any, ::Any, ::Any, ::Any)
   @ LinearSolveSparseArraysExt ~/.julia/packages/LinearSolve/QuCP8/src/KLU/klu.jl:140
  LinearSolveSparseArraysExt.KLU.KLUFactorization(::SparseArrays.SparseMatrixCSC{Tv, Ti}) where {Tv<:Union{Float64, ComplexF64}, Ti<:Union{Int32, Int64}}
   @ LinearSolveSparseArraysExt ~/.julia/packages/LinearSolve/QuCP8/src/KLU/klu.jl:174

Packages installed:

julia> using Pkg; Pkg.status()
Status `~/.julia/environments/v1.11/Project.toml`
  [6e4b80f9] BenchmarkTools v1.6.0
  [336ed68f] CSV v0.10.15
⌃ [13f3f980] CairoMakie v0.12.18
  [501788e0] CollocationMethods v0.1.0 `../../../OneDrive/WIP/Repositories/CollocationMethods`
  [a93c6f00] DataFrames v1.7.0
  [0c46a032] DifferentialEquations v7.16.0
  [7da242da] Enzyme v0.13.30
  [f6369f11] ForwardDiff v0.10.38
⌃ [e9467ef8] GLMakie v0.10.18
  [929cbde3] LLVM v9.2.0
  [7ed4a6bd] LinearSolve v3.3.1
  [2fda8390] LsqFit v0.15.0
  [65ed5ab3] ModelingBI v0.1.0 `../../../OneDrive/WIP/Repositories/ModelingBI`
  [961ee093] ModelingToolkit v9.64.0
  [f5f84d89] NumericalTools v0.1.0 `../../../OneDrive/WIP/Repositories/NumericalTools`
  [7f7a1694] Optimization v4.1.1
  [36348300] OptimizationOptimJL v0.4.1
  [1dea7af3] OrdinaryDiffEq v6.91.0
  [37e2e3b7] ReverseDiff v1.15.3
  [295af30f] Revise v3.7.2
  [1ed8b502] SciMLSensitivity v7.74.0
  [53ae85a6] SciMLStructures v1.6.1
  [e56a9233] Sparspak v0.3.9
  [2efcf032] SymbolicIndexingInterface v0.3.37
  [3bb67fe8] TranscodingStreams v0.11.3
⌃ [e88e6eb3] Zygote v0.6.75
Info Packages marked with ⌃ have new versions available and may be upgradable.

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