Package evaluation to test AiidaDFTK on Julia 1.14.0-DEV.1893 (b4aba01002*) started at 2026-03-15T23:38:31.505 ################################################################################ # Set-up # Installing PkgEval dependencies (TestEnv)... Activating project at `~/.julia/environments/v1.14` Set-up completed after 14.23s ################################################################################ # Installation # Installing AiidaDFTK... Resolving package versions... Updating `~/.julia/environments/v1.14/Project.toml` [26386dbc] + AiidaDFTK v0.2.1 Updating `~/.julia/environments/v1.14/Manifest.toml` [47edcb42] + ADTypes v1.21.0 [621f4979] + AbstractFFTs v1.5.0 [7d9f7c33] + Accessors v0.1.43 [79e6a3ab] + Adapt v4.5.0 [26386dbc] + AiidaDFTK v0.2.1 [66dad0bd] + AliasTables v1.1.3 [4fba245c] + ArrayInterface v7.23.0 [a963bdd2] + AtomsBase v0.5.2 [a3e0e189] + AtomsCalculators v0.2.3 [13072b0f] + AxisAlgorithms v1.1.0 [ada6cbde] + Bravais v0.2.5 [23470ee3] + Brillouin v0.5.31 [d360d2e6] + ChainRulesCore v1.26.0 [38540f10] + CommonSolve v0.2.6 [bbf7d656] + CommonSubexpressions v0.3.1 [f70d9fcc] + CommonWorldInvalidations v1.0.0 [34da2185] + Compat v4.18.1 [b0b7db55] + ComponentArrays v0.15.32 [a33af91c] + CompositionsBase v0.1.2 [187b0558] + ConstructionBase v1.6.0 ⌅ [80545937] + CrystallographyCore v0.3.3 [acf6eb54] + DFTK v0.7.23 [9a962f9c] + DataAPI v1.16.0 [864edb3b] + DataStructures v0.19.3 [6bd331d2] + DftFunctionals v0.3.1 [163ba53b] + DiffResults 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StaticArrays v1.9.18 [1e83bf80] + StaticArraysCore v1.4.4 [10745b16] + Statistics v1.11.1 [82ae8749] + StatsAPI v1.8.0 [2913bbd2] + StatsBase v0.34.10 [8bd03d06] + StructEqualHash v0.1.4 [6ec83bb0] + StructEquality v2.1.0 [856f2bd8] + StructTypes v1.11.0 [a759f4b9] + TimerOutputs v0.5.29 [3bb67fe8] + TranscodingStreams v0.11.3 [1986cc42] + Unitful v1.28.0 [a7773ee8] + UnitfulAtomic v1.0.0 [409d34a3] + VectorInterface v0.5.0 [efce3f68] + WoodburyMatrices v1.1.0 [4ee394cb] + CUDA_Driver_jll v13.2.0+0 [76a88914] + CUDA_Runtime_jll v0.21.0+0 [f5851436] + FFTW_jll v3.3.11+0 [e33a78d0] + Hwloc_jll v2.13.0+0 [1d5cc7b8] + IntelOpenMP_jll v2025.2.0+0 [94ce4f54] + Libiconv_jll v1.18.0+0 [25af9330] + Libxc_GPU_jll v7.0.0+3 [a56a6d9d] + Libxc_jll v7.0.0+2 [856f044c] + MKL_jll v2025.2.0+0 [b5ada748] + MPIABI_jll v0.1.3+0 [7cb0a576] + MPICH_jll v5.0.0+0 [f1f71cc9] + MPItrampoline_jll v5.5.5+0 [9237b28f] + MicrosoftMPI_jll v10.1.4+3 [fe0851c0] + OpenMPI_jll v5.0.10+0 [efe28fd5] + OpenSpecFun_jll 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[2f01184e] + SparseArrays v1.13.0 [f489334b] + StyledStrings v1.13.0 [fa267f1f] + TOML v1.0.3 [a4e569a6] + Tar v1.10.0 [8dfed614] + Test v1.11.0 [cf7118a7] + UUIDs v1.11.0 [4ec0a83e] + Unicode v1.11.0 [e66e0078] + CompilerSupportLibraries_jll v1.3.0+1 [deac9b47] + LibCURL_jll v8.18.0+1 [e37daf67] + LibGit2_jll v1.9.2+0 [29816b5a] + LibSSH2_jll v1.11.3+1 [14a3606d] + MozillaCACerts_jll v2025.12.2 [4536629a] + OpenBLAS_jll v0.3.30+0 [05823500] + OpenLibm_jll v0.8.7+0 [458c3c95] + OpenSSL_jll v3.5.5+0 [efcefdf7] + PCRE2_jll v10.47.0+0 [bea87d4a] + SuiteSparse_jll v7.10.1+0 [83775a58] + Zlib_jll v1.3.2+0 [3161d3a3] + Zstd_jll v1.5.7+1 [8e850b90] + libblastrampoline_jll v5.15.0+0 [8e850ede] + nghttp2_jll v1.68.0+1 [3f19e933] + p7zip_jll v17.8.0+0 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` Installation completed after 18.78s ################################################################################ # Precompilation # Precompiling PkgEval dependencies... ┌ Warning: Could not use exact versions of packages in manifest, re-resolving └ @ TestEnv ~/.julia/packages/TestEnv/RUPmD/src/julia-1.13/activate_set.jl:78 Precompiling package dependencies... Precompiling packages... 7293.2 ms ✓ PseudoPotentialData 5792.0 ms ✓ PseudoPotentialIO 6017.6 ms ✓ Libxc_GPU_jll 3035.3 ms ✓ DftFunctionals 9981.6 ms ✓ PseudoPotentialData → PseudoPotentialDataAtomsBaseExt 6486.8 ms ✓ Libxc 201459.2 ms ✓ DFTK 36165.5 ms ✓ DFTK → DFTKJLD2Ext 35786.4 ms ✓ DFTK → DFTKJSON3Ext Julia Version 1.14.0-DEV.1893 Commit b4aba01002* (2026-03-15 04:25 UTC) Platform Info:  OS: Linux (x86_64-linux-gnu)  CPU: 128 × AMD EPYC 7502 32-Core Processor  WORD_SIZE: 64  LLVM: libLLVM-20.1.8 (ORCJIT, znver2)  GC: Built with stock GC Threads: 1 default, 0 interactive, 1 GC (on 1 virtual cores) Environment:  JULIA_NUM_PRECOMPILE_TASKS = 1  JULIA_DEPOT_PATH = /home/pkgeval/.julia:/usr/local/share/julia:  JULIA_PKG_PRECOMPILE_AUTO = 0  JULIA_PKGEVAL = true  JULIA_NUM_THREADS = 1  JULIA_CPU_THREADS = 1  JULIA_LOAD_PATH = /tmp/jl_wDdaBs/Project.toml:/home/pkgeval/.julia/environments/v1.14/Project.toml:/opt/julia/share/julia/stdlib/v1.14  DFTK Version 0.7.23 Julia Version 1.14.0-DEV.1893 libxc Version 7.0.0 FFTW.jl provider fftw v3.3.10  BLAS.get_config()  LinearAlgebra.BLAS.LBTConfig  Libraries:  └ [ILP64] libopenblas64_.so  MPI.versioninfo()  MPIPreferences:  binary: MPICH_jll  abi: MPICH   Package versions  MPI.jl: 0.20.24  MPIPreferences.jl: 0.1.12  MPICH_jll: 4.3.2+0   Library information:  libmpi: /home/pkgeval/.julia/artifacts/117d9048128625bb3418b0b4cca48739c5d28740/lib/libmpi.so  libmpi dlpath: /home/pkgeval/.julia/artifacts/117d9048128625bb3418b0b4cca48739c5d28740/lib/libmpi.so  MPI version: 4.1.0  Library version:  MPICH Version: 4.3.1  MPICH Release date: Fri Jun 20 09:24:41 AM CDT 2025  MPICH ABI: 17:1:5  MPICH Device: ch3:nemesis  MPICH configure: --build=x86_64-linux-musl --disable-dependency-tracking --disable-doc --enable-fast=ndebug,O3 --enable-static=no --host=x86_64-linux-gnu --prefix=/workspace/destdir --with-device=ch3 --with-hwloc=/workspace/destdir  MPICH CC: cc -DNDEBUG -DNVALGRIND -O3  MPICH CXX: c++ -DNDEBUG -DNVALGRIND -O3  MPICH F77: gfortran -O3  MPICH FC: gfortran -O3  MPICH features:   MPI launcher: /home/pkgeval/.julia/artifacts/117d9048128625bb3418b0b4cca48739c5d28740/bin/mpiexec  MPI launcher path: /home/pkgeval/.julia/artifacts/117d9048128625bb3418b0b4cca48739c5d28740/bin/mpiexec    PlaneWaveBasis discretization:  architecture : DFTK.CPU()  num. mpi processes : 1  num. julia threads : 1  num. DFTK threads : 1  num. blas threads : 1  num. fft threads : 1   Ecut : 10.0 Ha  fft_size : (24, 24, 24), 13824 total points  kgrid : MonkhorstPack([2, 2, 2])  num. red. kpoints : 8  num. irred. kpoints : 3   Estimated memory usage (per MPI process):  nonlocal projectors : 193KiB  single ψ : 154KiB  single ρ : 108KiB  peak memory (SCF) : 2.06MiB   Discretized Model(lda_x+lda_c_pw, 3D):  lattice (in Bohr) : [0 , 5.13155 , 5.13155 ]  [5.13155 , 0 , 5.13155 ]  [5.13155 , 5.13155 , 0 ]  unit cell volume : 270.26 Bohr³   atoms : Si₂  atom potentials : ElementPsp(:Si, "hgh/lda/si-q4")  ElementPsp(:Si, "hgh/lda/si-q4")   num. electrons : 8  spin polarization : none  temperature : 0.001 Ha  smearing : DFTK.Smearing.Gaussian()   terms : Kinetic()  DFTK.AtomicLocal()  DFTK.AtomicNonlocal()  DFTK.Ewald(nothing)  DFTK.PspCorrection()  Hartree()  Xc(lda_x, lda_c_pw)  DFTK.Entropy() ERROR: LoadError: MethodError: no method matching unsafe_convert(::Type{MPI.API.MPIPtr}, ::Base.OffsetCConvert{Int64, MemoryRef{Int64}}) The function `unsafe_convert` exists, but no method is defined for this combination of argument types.  Closest candidates are:  unsafe_convert(::Type{MPI.API.MPIPtr}, !Matched::MPI.API.SentinelPtr)  @ MPI ~/.julia/packages/MPI/VBXZG/src/api/api.jl:80  unsafe_convert(::Type{MPI.API.MPIPtr}, !Matched::String)  @ MPI ~/.julia/packages/MPI/VBXZG/src/buffers.jl:13  unsafe_convert(::Type{MPI.API.MPIPtr}, !Matched::Union{Ptr{T}, Ref{T}, SubArray{T}, Array{T}}) where T  @ MPI ~/.julia/packages/MPI/VBXZG/src/buffers.jl:6  ...  Stacktrace:  [1] MPI_Gatherv(sendbuf::SubArray{Int64, 1, Vector{Int64}, Tuple{UnitRange{Int64}}, true}, sendcount::Int32, sendtype::MPI.Datatype, recvbuf::Vector{Int64}, recvcounts::Vector{Int32}, displs::Vector{Int32}, recvtype::MPI.Datatype, root::Int32, comm::MPI.Comm)  @ MPI.API ~/.julia/packages/MPI/VBXZG/src/api/generated_api.jl:432  [2] Gatherv!(sendbuf::MPI.Buffer{SubArray{Int64, 1, Vector{Int64}, Tuple{UnitRange{Int64}}, true}}, recvbuf::MPI.VBuffer{Vector{Int64}}, root::Int32, comm::MPI.Comm)  @ MPI ~/.julia/packages/MPI/VBXZG/src/collective.jl:416  [3] Gatherv!(sendbuf::SubArray{Int64, 1, Vector{Int64}, Tuple{UnitRange{Int64}}, true}, recvbuf::MPI.VBuffer{Vector{Int64}}, root::Int32, comm::MPI.Comm)  @ MPI ~/.julia/packages/MPI/VBXZG/src/collective.jl:420  [4] Gatherv!(sendbuf::SubArray{Int64, 1, Vector{Int64}, Tuple{UnitRange{Int64}}, true}, recvbuf::MPI.VBuffer{Vector{Int64}}, comm::MPI.Comm; root::Int32)  @ MPI ~/.julia/packages/MPI/VBXZG/src/collective.jl:407  [5] gather_kpts_block!(dest::Vector{Int64}, basis::DFTK.PlaneWaveBasis{Float64, Float64, DFTK.CPU, DFTK.FFTGrid{Float64, Float64, Array{StaticArraysCore.SVector{3, Int64}, 3}, Array{StaticArraysCore.SVector{3, Float64}, 3}}, Vector{StaticArraysCore.SVector{3, Int64}}}, kdata::Vector{Int64})  @ DFTK ~/.julia/packages/DFTK/sGFEm/src/PlaneWaveBasis.jl:590  [6] gather_kpts_block(basis::DFTK.PlaneWaveBasis{Float64, Float64, DFTK.CPU, DFTK.FFTGrid{Float64, Float64, Array{StaticArraysCore.SVector{3, Int64}, 3}, Array{StaticArraysCore.SVector{3, Float64}, 3}}, Vector{StaticArraysCore.SVector{3, Int64}}}, kdata::Vector{Int64})  @ DFTK ~/.julia/packages/DFTK/sGFEm/src/PlaneWaveBasis.jl:600  [7] (::DFTK.var"#gather_and_store!#298")(dict::JLD2.Group{JLD2.JLDFile{JLD2.MmapIO}}, key::String, basis::DFTK.PlaneWaveBasis{Float64, Float64, DFTK.CPU, DFTK.FFTGrid{Float64, Float64, Array{StaticArraysCore.SVector{3, Int64}, 3}, Array{StaticArraysCore.SVector{3, Float64}, 3}}, Vector{StaticArraysCore.SVector{3, Int64}}}, data::Vector{Int64})  @ DFTK ~/.julia/packages/DFTK/sGFEm/src/input_output.jl:262  [8] band_data_to_dict!(dict::JLD2.JLDFile{JLD2.MmapIO}, band_data::@NamedTuple{ham::DFTK.Hamiltonian, basis::DFTK.PlaneWaveBasis{Float64, Float64, DFTK.CPU, DFTK.FFTGrid{Float64, Float64, Array{StaticArraysCore.SVector{3, Int64}, 3}, Array{StaticArraysCore.SVector{3, Float64}, 3}}, Vector{StaticArraysCore.SVector{3, Int64}}}, converged::Bool, stage::Symbol, algorithm::String, τ::Nothing, hubbard_n::Nothing, α::Float64, n_iter::Int64, occupation_threshold::Float64, seed::UInt64, runtime_ns::UInt64, ψ::Vector{Matrix{ComplexF64}}, eigenvalues::Vector{Vector{Float64}}, occupation::Vector{Vector{Float64}}, εF::Float64, diagonalization::Vector{@NamedTuple{λ::Vector{Vector{Float64}}, X::Vector{Matrix{ComplexF64}}, residual_norms::Vector{Vector{Float64}}, n_iter::Vector{Int64}, converged::Bool, n_matvec::Int64}}, n_bands_converge::Int64, n_matvec::Int64, energies::DFTK.Energies{Float64}, history_Etot::Vector{Float64}, history_Δρ::Vector{Float64}, timedout::Bool, ρ::Array{Float64, 4}}; save_ψ::Bool, save_ρ::Nothing)  @ DFTK ~/.julia/packages/DFTK/sGFEm/src/input_output.jl:296  [9] band_data_to_dict!  @ ~/.julia/packages/DFTK/sGFEm/src/input_output.jl:239 [inlined]  [10] scfres_to_dict!(dict::JLD2.JLDFile{JLD2.MmapIO}, scfres::@NamedTuple{ham::DFTK.Hamiltonian, basis::DFTK.PlaneWaveBasis{Float64, Float64, DFTK.CPU, DFTK.FFTGrid{Float64, Float64, Array{StaticArraysCore.SVector{3, Int64}, 3}, Array{StaticArraysCore.SVector{3, Float64}, 3}}, Vector{StaticArraysCore.SVector{3, Int64}}}, converged::Bool, stage::Symbol, algorithm::String, τ::Nothing, hubbard_n::Nothing, α::Float64, n_iter::Int64, occupation_threshold::Float64, seed::UInt64, runtime_ns::UInt64, ψ::Vector{Matrix{ComplexF64}}, eigenvalues::Vector{Vector{Float64}}, occupation::Vector{Vector{Float64}}, εF::Float64, diagonalization::Vector{@NamedTuple{λ::Vector{Vector{Float64}}, X::Vector{Matrix{ComplexF64}}, residual_norms::Vector{Vector{Float64}}, n_iter::Vector{Int64}, converged::Bool, n_matvec::Int64}}, n_bands_converge::Int64, n_matvec::Int64, energies::DFTK.Energies{Float64}, history_Etot::Vector{Float64}, history_Δρ::Vector{Float64}, timedout::Bool, ρ::Array{Float64, 4}}; save_ψ::Bool, save_ρ::Bool)  @ DFTK ~/.julia/packages/DFTK/sGFEm/src/input_output.jl:351  [11] scfres_to_dict!  @ ~/.julia/packages/DFTK/sGFEm/src/input_output.jl:348 [inlined]  [12] (::DFTKJLD2Ext.var"#3#4"{Bool, Bool, Dict{String, Any}, typeof(DFTK.scfres_to_dict!), @NamedTuple{ham::DFTK.Hamiltonian, basis::DFTK.PlaneWaveBasis{Float64, Float64, DFTK.CPU, DFTK.FFTGrid{Float64, Float64, Array{StaticArraysCore.SVector{3, Int64}, 3}, Array{StaticArraysCore.SVector{3, Float64}, 3}}, Vector{StaticArraysCore.SVector{3, Int64}}}, converged::Bool, stage::Symbol, algorithm::String, τ::Nothing, hubbard_n::Nothing, α::Float64, n_iter::Int64, occupation_threshold::Float64, seed::UInt64, runtime_ns::UInt64, ψ::Vector{Matrix{ComplexF64}}, eigenvalues::Vector{Vector{Float64}}, occupation::Vector{Vector{Float64}}, εF::Float64, diagonalization::Vector{@NamedTuple{λ::Vector{Vector{Float64}}, X::Vector{Matrix{ComplexF64}}, residual_norms::Vector{Vector{Float64}}, n_iter::Vector{Int64}, converged::Bool, n_matvec::Int64}}, n_bands_converge::Int64, n_matvec::Int64, energies::DFTK.Energies{Float64}, history_Etot::Vector{Float64}, history_Δρ::Vector{Float64}, timedout::Bool, ρ::Array{Float64, 4}}})(jld::JLD2.JLDFile{JLD2.MmapIO})  @ DFTKJLD2Ext ~/.julia/packages/DFTK/sGFEm/ext/DFTKJLD2Ext.jl:14  [13] jldopen(::Function, ::String, ::Vararg{String}; kws::@Kwargs{compress::Bool})  @ JLD2 ~/.julia/packages/JLD2/SgtOb/src/loadsave.jl:4  [14] jldopen  @ ~/.julia/packages/JLD2/SgtOb/src/loadsave.jl:1 [inlined]  [15] save_jld2(to_dict_function!::typeof(DFTK.scfres_to_dict!), file::String, scfres::@NamedTuple{ham::DFTK.Hamiltonian, basis::DFTK.PlaneWaveBasis{Float64, Float64, DFTK.CPU, DFTK.FFTGrid{Float64, Float64, Array{StaticArraysCore.SVector{3, Int64}, 3}, Array{StaticArraysCore.SVector{3, Float64}, 3}}, Vector{StaticArraysCore.SVector{3, Int64}}}, converged::Bool, stage::Symbol, algorithm::String, τ::Nothing, hubbard_n::Nothing, α::Float64, n_iter::Int64, occupation_threshold::Float64, seed::UInt64, runtime_ns::UInt64, ψ::Vector{Matrix{ComplexF64}}, eigenvalues::Vector{Vector{Float64}}, occupation::Vector{Vector{Float64}}, εF::Float64, diagonalization::Vector{@NamedTuple{λ::Vector{Vector{Float64}}, X::Vector{Matrix{ComplexF64}}, residual_norms::Vector{Vector{Float64}}, n_iter::Vector{Int64}, converged::Bool, n_matvec::Int64}}, n_bands_converge::Int64, n_matvec::Int64, energies::DFTK.Energies{Float64}, history_Etot::Vector{Float64}, history_Δρ::Vector{Float64}, timedout::Bool, ρ::Array{Float64, 4}}; save_ψ::Bool, save_ρ::Bool, extra_data::Dict{String, Any}, compress::Bool)  @ DFTKJLD2Ext ~/.julia/packages/DFTK/sGFEm/ext/DFTKJLD2Ext.jl:13  [16] save_jld2  @ ~/.julia/packages/DFTK/sGFEm/ext/DFTKJLD2Ext.jl:10 [inlined]  [17] #save_scfres#5  @ ~/.julia/packages/DFTK/sGFEm/ext/DFTKJLD2Ext.jl:33 [inlined]  [18] kwcall(::@NamedTuple{save_ψ::Bool, save_ρ::Bool, extra_data::Dict{String, Any}, compress::Bool}, ::typeof(DFTK.save_scfres), ::Val{:jld2}, file::String, scfres::@NamedTuple{ham::DFTK.Hamiltonian, basis::DFTK.PlaneWaveBasis{Float64, Float64, DFTK.CPU, DFTK.FFTGrid{Float64, Float64, Array{StaticArraysCore.SVector{3, Int64}, 3}, Array{StaticArraysCore.SVector{3, Float64}, 3}}, Vector{StaticArraysCore.SVector{3, Int64}}}, converged::Bool, stage::Symbol, algorithm::String, τ::Nothing, hubbard_n::Nothing, α::Float64, n_iter::Int64, occupation_threshold::Float64, seed::UInt64, runtime_ns::UInt64, ψ::Vector{Matrix{ComplexF64}}, eigenvalues::Vector{Vector{Float64}}, occupation::Vector{Vector{Float64}}, εF::Float64, diagonalization::Vector{@NamedTuple{λ::Vector{Vector{Float64}}, X::Vector{Matrix{ComplexF64}}, residual_norms::Vector{Vector{Float64}}, n_iter::Vector{Int64}, converged::Bool, n_matvec::Int64}}, n_bands_converge::Int64, n_matvec::Int64, energies::DFTK.Energies{Float64}, history_Etot::Vector{Float64}, history_Δρ::Vector{Float64}, timedout::Bool, ρ::Array{Float64, 4}})  @ DFTKJLD2Ext ~/.julia/packages/DFTK/sGFEm/ext/DFTKJLD2Ext.jl:32  [19] save_scfres(filename::String, scfres::@NamedTuple{ham::DFTK.Hamiltonian, basis::DFTK.PlaneWaveBasis{Float64, Float64, DFTK.CPU, DFTK.FFTGrid{Float64, Float64, Array{StaticArraysCore.SVector{3, Int64}, 3}, Array{StaticArraysCore.SVector{3, Float64}, 3}}, Vector{StaticArraysCore.SVector{3, Int64}}}, converged::Bool, stage::Symbol, algorithm::String, τ::Nothing, hubbard_n::Nothing, α::Float64, n_iter::Int64, occupation_threshold::Float64, seed::UInt64, runtime_ns::UInt64, ψ::Vector{Matrix{ComplexF64}}, eigenvalues::Vector{Vector{Float64}}, occupation::Vector{Vector{Float64}}, εF::Float64, diagonalization::Vector{@NamedTuple{λ::Vector{Vector{Float64}}, X::Vector{Matrix{ComplexF64}}, residual_norms::Vector{Vector{Float64}}, n_iter::Vector{Int64}, converged::Bool, n_matvec::Int64}}, n_bands_converge::Int64, n_matvec::Int64, energies::DFTK.Energies{Float64}, history_Etot::Vector{Float64}, history_Δρ::Vector{Float64}, timedout::Bool, ρ::Array{Float64, 4}}; save_ψ::Bool, extra_data::Dict{String, Any}, compress::Bool, save_ρ::Bool)  @ DFTK ~/.julia/packages/DFTK/sGFEm/src/scf/scfres.jl:69  [20] kwcall(::@NamedTuple{save_ψ::Bool, compress::Bool}, ::typeof(DFTK.save_scfres), filename::String, scfres::@NamedTuple{ham::DFTK.Hamiltonian, basis::DFTK.PlaneWaveBasis{Float64, Float64, DFTK.CPU, DFTK.FFTGrid{Float64, Float64, Array{StaticArraysCore.SVector{3, Int64}, 3}, Array{StaticArraysCore.SVector{3, Float64}, 3}}, Vector{StaticArraysCore.SVector{3, Int64}}}, converged::Bool, stage::Symbol, algorithm::String, τ::Nothing, hubbard_n::Nothing, α::Float64, n_iter::Int64, occupation_threshold::Float64, seed::UInt64, runtime_ns::UInt64, ψ::Vector{Matrix{ComplexF64}}, eigenvalues::Vector{Vector{Float64}}, occupation::Vector{Vector{Float64}}, εF::Float64, diagonalization::Vector{@NamedTuple{λ::Vector{Vector{Float64}}, X::Vector{Matrix{ComplexF64}}, residual_norms::Vector{Vector{Float64}}, n_iter::Vector{Int64}, converged::Bool, n_matvec::Int64}}, n_bands_converge::Int64, n_matvec::Int64, energies::DFTK.Energies{Float64}, history_Etot::Vector{Float64}, history_Δρ::Vector{Float64}, timedout::Bool, ρ::Array{Float64, 4}})  @ DFTK ~/.julia/packages/DFTK/sGFEm/src/scf/scfres.jl:69  [21] (::DFTK.ScfSaveCheckpoints)(info::@NamedTuple{ham::DFTK.Hamiltonian, basis::DFTK.PlaneWaveBasis{Float64, Float64, DFTK.CPU, DFTK.FFTGrid{Float64, Float64, Array{StaticArraysCore.SVector{3, Int64}, 3}, Array{StaticArraysCore.SVector{3, Float64}, 3}}, Vector{StaticArraysCore.SVector{3, Int64}}}, converged::Bool, stage::Symbol, algorithm::String, ρin::Array{Float64, 4}, τ::Nothing, hubbard_n::Nothing, α::Float64, n_iter::Int64, occupation_threshold::Float64, seed::UInt64, runtime_ns::UInt64, ψ::Vector{Matrix{ComplexF64}}, eigenvalues::Vector{Vector{Float64}}, occupation::Vector{Vector{Float64}}, εF::Float64, ρout::Array{Float64, 4}, diagonalization::Vector{@NamedTuple{λ::Vector{Vector{Float64}}, X::Vector{Matrix{ComplexF64}}, residual_norms::Vector{Vector{Float64}}, n_iter::Vector{Int64}, converged::Bool, n_matvec::Int64}}, n_bands_converge::Int64, n_matvec::Int64, energies::DFTK.Energies{Float64}, history_Etot::Vector{Float64}, history_Δρ::Vector{Float64}, timedout::Bool})  @ DFTK ~/.julia/packages/DFTK/sGFEm/src/scf/scf_callbacks.jl:23  [22] call_composed  @ ./operators.jl:1108 [inlined]  [23] call_composed  @ ./operators.jl:1107 [inlined]  [24] (::ComposedFunction{DFTK.ScfDefaultCallback, DFTK.ScfSaveCheckpoints})(x::@NamedTuple{ham::DFTK.Hamiltonian, basis::DFTK.PlaneWaveBasis{Float64, Float64, DFTK.CPU, DFTK.FFTGrid{Float64, Float64, Array{StaticArraysCore.SVector{3, Int64}, 3}, Array{StaticArraysCore.SVector{3, Float64}, 3}}, Vector{StaticArraysCore.SVector{3, Int64}}}, converged::Bool, stage::Symbol, algorithm::String, ρin::Array{Float64, 4}, τ::Nothing, hubbard_n::Nothing, α::Float64, n_iter::Int64, occupation_threshold::Float64, seed::UInt64, runtime_ns::UInt64, ψ::Vector{Matrix{ComplexF64}}, eigenvalues::Vector{Vector{Float64}}, occupation::Vector{Vector{Float64}}, εF::Float64, ρout::Array{Float64, 4}, diagonalization::Vector{@NamedTuple{λ::Vector{Vector{Float64}}, X::Vector{Matrix{ComplexF64}}, residual_norms::Vector{Vector{Float64}}, n_iter::Vector{Int64}, converged::Bool, n_matvec::Int64}}, n_bands_converge::Int64, n_matvec::Int64, energies::DFTK.Energies{Float64}, history_Etot::Vector{Float64}, history_Δρ::Vector{Float64}, timedout::Bool})  @ Base ./operators.jl:1104  [25] (::DFTK.var"#fixpoint_map#1018"{Float64, DFTK.ScfConvergenceEnergy, Int64, DFTK.KerkerDosMixing, Float64, typeof(DFTK.lobpcg_hyper), DFTK.AdaptiveDiagtol, DFTK.AdaptiveBands, DFTK.FermiBisection, DFTK.AceExx, ComposedFunction{DFTK.ScfDefaultCallback, DFTK.ScfSaveCheckpoints}, Bool, UInt64, DFTK.PlaneWaveBasis{Float64, Float64, DFTK.CPU, DFTK.FFTGrid{Float64, Float64, Array{StaticArraysCore.SVector{3, Int64}, 3}, Array{StaticArraysCore.SVector{3, Float64}, 3}}, Vector{StaticArraysCore.SVector{3, Int64}}}, Dates.DateTime, UInt64})(ρin::Array{Float64, 4}, info::@NamedTuple{ρin::Array{Float64, 4}, τ::Nothing, hubbard_n::Nothing, ψ::Nothing, occupation::Nothing, eigenvalues::Nothing, εF::Nothing, n_iter::Int64, n_matvec::Int64, timedout::Bool, converged::Bool, history_Etot::Vector{Float64}, history_Δρ::Vector{Float64}})  @ DFTK ./none:-1  [26] (::DFTK.var"#anderson#978"{DFTK.var"#anderson#977#979"{Int64, @Kwargs{}}})(f::DFTK.var"#fixpoint_map#1018"{Float64, DFTK.ScfConvergenceEnergy, Int64, DFTK.KerkerDosMixing, Float64, typeof(DFTK.lobpcg_hyper), DFTK.AdaptiveDiagtol, DFTK.AdaptiveBands, DFTK.FermiBisection, DFTK.AceExx, ComposedFunction{DFTK.ScfDefaultCallback, DFTK.ScfSaveCheckpoints}, Bool, UInt64, DFTK.PlaneWaveBasis{Float64, Float64, DFTK.CPU, DFTK.FFTGrid{Float64, Float64, Array{StaticArraysCore.SVector{3, Int64}, 3}, Array{StaticArraysCore.SVector{3, Float64}, 3}}, Vector{StaticArraysCore.SVector{3, Int64}}}, Dates.DateTime, UInt64}, x0::Array{Float64, 4}, info0::@NamedTuple{ρin::Array{Float64, 4}, τ::Nothing, hubbard_n::Nothing, ψ::Nothing, occupation::Nothing, eigenvalues::Nothing, εF::Nothing, n_iter::Int64, n_matvec::Int64, timedout::Bool, converged::Bool, history_Etot::Vector{Float64}, history_Δρ::Vector{Float64}}; maxiter::Int64)  @ DFTK ~/.julia/packages/DFTK/sGFEm/src/scf/scf_solvers.jl:65  [27] kwcall(::@NamedTuple{maxiter::Int64}, ::DFTK.var"#anderson#978"{DFTK.var"#anderson#977#979"{Int64, @Kwargs{}}}, f::Function, x0::Array{Float64, 4}, info0::@NamedTuple{ρin::Array{Float64, 4}, τ::Nothing, hubbard_n::Nothing, ψ::Nothing, occupation::Nothing, eigenvalues::Nothing, εF::Nothing, n_iter::Int64, n_matvec::Int64, timedout::Bool, converged::Bool, history_Etot::Vector{Float64}, history_Δρ::Vector{Float64}})  @ DFTK ~/.julia/packages/DFTK/sGFEm/src/scf/scf_solvers.jl:59  [28] self_consistent_field(basis::DFTK.PlaneWaveBasis{Float64, Float64, DFTK.CPU, DFTK.FFTGrid{Float64, Float64, Array{StaticArraysCore.SVector{3, Int64}, 3}, Array{StaticArraysCore.SVector{3, Float64}, 3}}, Vector{StaticArraysCore.SVector{3, Int64}}}; ρ::Array{Float64, 4}, τ::Nothing, hubbard_n::Nothing, ψ::Nothing, occupation::Nothing, eigenvalues::Nothing, tol::Float64, is_converged::DFTK.ScfConvergenceEnergy, miniter::Int64, maxiter::Int64, maxtime::Dates.Second, mixing::DFTK.KerkerDosMixing, damping::Float64, solver::DFTK.var"#anderson#978"{DFTK.var"#anderson#977#979"{Int64, @Kwargs{}}}, eigensolver::typeof(DFTK.lobpcg_hyper), diagtolalg::DFTK.AdaptiveDiagtol, nbandsalg::DFTK.AdaptiveBands, fermialg::DFTK.FermiBisection, exxalg::DFTK.AceExx, callback::ComposedFunction{DFTK.ScfDefaultCallback, DFTK.ScfSaveCheckpoints}, compute_consistent_energies::Bool, seed::Nothing, response::DFTK.ResponseOptions)  @ DFTK ~/.julia/packages/DFTK/sGFEm/src/scf/self_consistent_field.jl:135  [29] kwcall(::@NamedTuple{callback::ComposedFunction{DFTK.ScfDefaultCallback, DFTK.ScfSaveCheckpoints}, diagtolalg::DFTK.AdaptiveDiagtol, ψ::Nothing, ρ::Array{Float64, 4}, τ::Nothing, hubbard_n::Nothing, occupation::Nothing, maxtime::Dates.Second, mixing::DFTK.KerkerDosMixing, is_converged::DFTK.ScfConvergenceEnergy, nbandsalg::DFTK.AdaptiveBands}, ::typeof(DFTK.self_consistent_field), basis::DFTK.PlaneWaveBasis{Float64, Float64, DFTK.CPU, DFTK.FFTGrid{Float64, Float64, Array{StaticArraysCore.SVector{3, Int64}, 3}, Array{StaticArraysCore.SVector{3, Float64}, 3}}, Vector{StaticArraysCore.SVector{3, Int64}}})  @ DFTK ~/.julia/packages/DFTK/sGFEm/src/scf/self_consistent_field.jl:135  [30] run_self_consistent_field(data::JSON3.Object{Base.CodeUnits{UInt8, String}, Vector{UInt64}}, system::AtomsBase.FlexibleSystem{3, AtomsBase.Atom{3, Unitful.Quantity{Float64, 𝐋, Unitful.FreeUnits{(a₀,), 𝐋, nothing}}, Unitful.Quantity{Float64, 𝐋 𝐓^-1, Unitful.FreeUnits{(nm, s^-1), 𝐋 𝐓^-1, nothing}}, Unitful.Quantity{Float64, 𝐌, Unitful.FreeUnits{(u,), 𝐌, nothing}}}, AtomsBase.PeriodicCell{3, Unitful.Quantity{Float64, 𝐋, Unitful.FreeUnits{(a₀,), 𝐋, nothing}}}}, basis::DFTK.PlaneWaveBasis{Float64, Float64, DFTK.CPU, DFTK.FFTGrid{Float64, Float64, Array{StaticArraysCore.SVector{3, Int64}, 3}, Array{StaticArraysCore.SVector{3, Float64}, 3}}, Vector{StaticArraysCore.SVector{3, Int64}}})  @ AiidaDFTK ~/.julia/packages/AiidaDFTK/Rg7zS/src/AiidaDFTK.jl:77  [31] run_scf(data::JSON3.Object{Base.CodeUnits{UInt8, String}, Vector{UInt64}}, system::AtomsBase.FlexibleSystem{3, AtomsBase.Atom{3, Unitful.Quantity{Float64, 𝐋, Unitful.FreeUnits{(a₀,), 𝐋, nothing}}, Unitful.Quantity{Float64, 𝐋 𝐓^-1, Unitful.FreeUnits{(nm, s^-1), 𝐋 𝐓^-1, nothing}}, Unitful.Quantity{Float64, 𝐌, Unitful.FreeUnits{(u,), 𝐌, nothing}}}, AtomsBase.PeriodicCell{3, Unitful.Quantity{Float64, 𝐋, Unitful.FreeUnits{(a₀,), 𝐋, nothing}}}}, basis::DFTK.PlaneWaveBasis{Float64, Float64, DFTK.CPU, DFTK.FFTGrid{Float64, Float64, Array{StaticArraysCore.SVector{3, Int64}, 3}, Array{StaticArraysCore.SVector{3, Float64}, 3}}, Vector{StaticArraysCore.SVector{3, Int64}}})  @ AiidaDFTK ~/.julia/packages/AiidaDFTK/Rg7zS/src/AiidaDFTK.jl:88  [32] _run(; inputfile::String, allowed_versions::String)  @ AiidaDFTK ~/.julia/packages/AiidaDFTK/Rg7zS/src/AiidaDFTK.jl:167  [33] _run  @ ~/.julia/packages/AiidaDFTK/Rg7zS/src/AiidaDFTK.jl:111 [inlined]  [34] (::AiidaDFTK.var"#19#20"{String, String})()  @ AiidaDFTK ~/.julia/packages/AiidaDFTK/Rg7zS/src/AiidaDFTK.jl:224  [35] with_logstate(f::AiidaDFTK.var"#19#20"{String, String}, logstate::Base.CoreLogging.LogState)  @ Base.CoreLogging ./logging/logging.jl:542  [36] with_logger  @ ./logging/logging.jl:653 [inlined]  [37] run(; inputfile::String, allowed_versions::String)  @ AiidaDFTK ~/.julia/packages/AiidaDFTK/Rg7zS/src/AiidaDFTK.jl:218  [38] run  @ ~/.julia/packages/AiidaDFTK/Rg7zS/src/AiidaDFTK.jl:205 [inlined]  [39] macro expansion  @ ~/.julia/packages/AiidaDFTK/Rg7zS/src/AiidaDFTK.jl:249 [inlined]  [40] macro expansion  @ ~/.julia/packages/PrecompileTools/gn08A/src/workloads.jl:73 [inlined]  [41] (::AiidaDFTK.var"#25#26"{String})()  @ AiidaDFTK ~/.julia/packages/AiidaDFTK/Rg7zS/src/AiidaDFTK.jl:248  [42] cd(f::AiidaDFTK.var"#25#26"{String}, dir::String)  @ Base.Filesystem ./file.jl:112  [43] #23  @ ~/.julia/packages/AiidaDFTK/Rg7zS/src/AiidaDFTK.jl:247 [inlined]  [44] mktempdir(fn::AiidaDFTK.var"#23#24"{String}, parent::String; prefix::String)  @ Base.Filesystem ./file.jl:936  [45] mktempdir(fn::Function, parent::String)  @ Base.Filesystem ./file.jl:932  [46] macro expansion  @ ~/.julia/packages/AiidaDFTK/Rg7zS/src/AiidaDFTK.jl:246 [inlined]  [47] macro expansion  @ ~/.julia/packages/PrecompileTools/gn08A/src/workloads.jl:121 [inlined]  [48] top-level scope  @ ~/.julia/packages/AiidaDFTK/Rg7zS/src/AiidaDFTK.jl:118  [49] include(mod::Module, _path::String)  @ Base ./Base.jl:323  [50] include_package_for_output(pkg::Base.PkgId, input::String, syntax_version::VersionNumber, depot_path::Vector{String}, dl_load_path::Vector{String}, load_path::Vector{String}, concrete_deps::Vector{Pair{Base.PkgId, UInt128}}, source::Nothing)  @ Base ./loading.jl:3289  [51] top-level scope  @ stdin:5  [52] eval(m::Module, e::Any)  @ Core ./boot.jl:517  [53] include_string(mapexpr::typeof(identity), mod::Module, code::String, filename::String)  @ Base ./loading.jl:3131  [54] include_string  @ ./loading.jl:3141 [inlined]  [55] exec_options(opts::Base.JLOptions)  @ Base ./client.jl:342  [56] _start()  @ Base ./client.jl:585 in expression starting at /home/pkgeval/.julia/packages/AiidaDFTK/Rg7zS/src/AiidaDFTK.jl:1 in expression starting at stdin:5 ✗ AiidaDFTK 9 dependencies successfully precompiled in 488 seconds. 213 already precompiled. 26 dependencies precompiled but different versions are currently loaded (ArgTools, Base64, Dates, Downloads, JuliaSyntaxHighlighting, LibCURL, LibCURL_jll, LibGit2, LibGit2_jll, LibSSH2_jll, Logging, Markdown, MozillaCACerts_jll, NetworkOptions, OpenSSL_jll, PCRE2_jll, Pkg, Printf, StyledStrings, TOML, Tar, UUIDs, Zlib_jll, Zstd_jll, nghttp2_jll and p7zip_jll). Restart julia to access the new versions. Otherwise, 135 dependents of these packages may trigger further precompilation to work with the unexpected versions. Precompilation completed after 536.3s ################################################################################ # Testing # Testing AiidaDFTK Test Could not use exact versions of packages in manifest, re-resolving. Note: if you do not check your manifest file into source control, then you can probably ignore this message. However, if you do check your manifest file into source control, then you probably want to pass the `allow_reresolve = false` kwarg when calling the `Pkg.test` function. Updating `/tmp/jl_jCzeKK/Project.toml` [26386dbc] + AiidaDFTK v0.2.1 [ed7c10db] + AtomsBaseTesting v0.4.0 [f67ccb44] + HDF5 v0.17.2 Updating `/tmp/jl_jCzeKK/Manifest.toml` [26386dbc] + AiidaDFTK v0.2.1 [ed7c10db] + AtomsBaseTesting v0.4.0 [f67ccb44] + HDF5 v0.17.2 ⌅ [0234f1f7] + HDF5_jll v1.14.6+0 ⌅ [7cb0a576] ↓ MPICH_jll v5.0.0+0 ⇒ v4.3.2+0 [477f73a3] + libaec_jll v1.1.5+0 Info Packages marked with ⌅ have new versions available but compatibility constraints restrict them from upgrading. To see why use `status --outdated -m` Test Successfully re-resolved Status `/tmp/jl_jCzeKK/Project.toml` [26386dbc] AiidaDFTK v0.2.1 [a963bdd2] AtomsBase v0.5.2 [ed7c10db] AtomsBaseTesting v0.4.0 [acf6eb54] DFTK v0.7.23 [ffbed154] DocStringExtensions v0.9.5 [f67ccb44] HDF5 v0.17.2 ⌅ [033835bb] JLD2 v0.5.15 [0f8b85d8] JSON3 v1.14.3 [e6f89c97] LoggingExtras v1.2.0 [da04e1cc] MPI v0.20.24 [aea7be01] PrecompileTools v1.3.3 [90137ffa] StaticArrays v1.9.18 [a759f4b9] TimerOutputs v0.5.29 [1986cc42] Unitful v1.28.0 [a7773ee8] UnitfulAtomic v1.0.0 [ade2ca70] Dates v1.11.0 [b77e0a4c] InteractiveUtils v1.11.0 [37e2e46d] LinearAlgebra v1.13.0 [56ddb016] Logging v1.11.0 [44cfe95a] Pkg v1.14.0 [8dfed614] Test v1.11.0 Status `/tmp/jl_jCzeKK/Manifest.toml` [47edcb42] ADTypes v1.21.0 [621f4979] AbstractFFTs v1.5.0 [7d9f7c33] Accessors v0.1.43 [79e6a3ab] Adapt v4.5.0 [26386dbc] AiidaDFTK v0.2.1 [66dad0bd] AliasTables v1.1.3 [4fba245c] ArrayInterface v7.23.0 [a963bdd2] AtomsBase v0.5.2 [ed7c10db] AtomsBaseTesting v0.4.0 [a3e0e189] AtomsCalculators v0.2.3 [13072b0f] AxisAlgorithms v1.1.0 [ada6cbde] Bravais v0.2.5 [23470ee3] Brillouin v0.5.31 [d360d2e6] ChainRulesCore v1.26.0 [38540f10] CommonSolve v0.2.6 [bbf7d656] CommonSubexpressions v0.3.1 [f70d9fcc] CommonWorldInvalidations v1.0.0 [34da2185] Compat v4.18.1 [b0b7db55] ComponentArrays v0.15.32 [a33af91c] CompositionsBase v0.1.2 [187b0558] ConstructionBase v1.6.0 ⌅ [80545937] CrystallographyCore v0.3.3 [acf6eb54] DFTK v0.7.23 [9a962f9c] DataAPI v1.16.0 [864edb3b] DataStructures v0.19.3 [6bd331d2] DftFunctionals v0.3.1 [163ba53b] DiffResults v1.1.0 [b552c78f] DiffRules v1.15.1 [a0c0ee7d] DifferentiationInterface v0.7.16 [c3f9d41a] DirectQhull v0.2.1 [ffbed154] DocStringExtensions v0.9.5 [4e289a0a] EnumX v1.0.7 [e2ba6199] ExprTools v0.1.10 [8f5d6c58] EzXML v1.2.3 [7a1cc6ca] FFTW v1.10.0 [5789e2e9] FileIO v1.18.0 [1a297f60] FillArrays v1.16.0 [6a86dc24] FiniteDiff v2.29.0 [f6369f11] ForwardDiff v1.3.2 [d9f16b24] Functors v0.5.2 [46192b85] GPUArraysCore v0.2.0 [f67ccb44] HDF5 v0.17.2 [076d061b] HashArrayMappedTries v0.2.0 [615f187c] IfElse v0.1.1 [a98d9a8b] Interpolations v0.16.2 [3587e190] InverseFunctions v0.1.17 [92d709cd] IrrationalConstants v0.2.6 [c8e1da08] IterTools v1.10.0 ⌅ [033835bb] JLD2 v0.5.15 [692b3bcd] JLLWrappers v1.7.1 [0f8b85d8] JSON3 v1.14.3 [0b1a1467] KrylovKit v0.10.2 [66e17ffc] Libxc v0.3.22 ⌃ [d3d80556] LineSearches v7.5.1 [7a12625a] LinearMaps v3.11.4 [2ab3a3ac] LogExpFunctions v0.3.29 [e6f89c97] LoggingExtras v1.2.0 [da04e1cc] MPI v0.20.24 [3da0fdf6] MPIPreferences v0.1.12 [1914dd2f] MacroTools v0.5.16 [e1d29d7a] Missings v1.2.0 ⌅ [d41bc354] NLSolversBase v7.10.0 [77ba4419] NaNMath v1.1.3 [6fe1bfb0] OffsetArrays v1.17.0 ⌅ [429524aa] Optim v1.13.3 [bac558e1] OrderedCollections v1.8.1 [65ce6f38] PackageExtensionCompat v1.0.2 [69de0a69] Parsers v2.8.3 [7b2266bf] PeriodicTable v1.2.1 [eebad327] PkgVersion v0.3.3 [85a6dd25] PositiveFactorizations v0.2.4 [aea7be01] PrecompileTools v1.3.3 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v1.3.2+0 [3161d3a3] Zstd_jll v1.5.7+1 [8e850b90] libblastrampoline_jll v5.15.0+0 [8e850ede] nghttp2_jll v1.68.0+1 [3f19e933] p7zip_jll v17.8.0+0 Info Packages marked with ⌃ and ⌅ have new versions available. Those with ⌃ may be upgradable, but those with ⌅ are restricted by compatibility constraints from upgrading. Testing Running tests... Julia Version 1.14.0-DEV.1893 Commit b4aba01002* (2026-03-15 04:25 UTC) Platform Info:  OS: Linux (x86_64-linux-gnu)  CPU: 128 × AMD EPYC 7502 32-Core Processor  WORD_SIZE: 64  LLVM: libLLVM-20.1.8 (ORCJIT, znver2)  GC: Built with stock GC Threads: 1 default, 0 interactive, 1 GC (on 1 virtual cores) Environment:  JULIA_NUM_PRECOMPILE_TASKS = 1  JULIA_DEPOT_PATH = /home/pkgeval/.julia:/usr/local/share/julia:  JULIA_PKG_PRECOMPILE_AUTO = 0  JULIA_PKGEVAL = true  JULIA_NUM_THREADS = 1  JULIA_CPU_THREADS = 1  JULIA_LOAD_PATH = /tmp/jl_jCzeKK/Project.toml  DFTK Version 0.7.23 Julia Version 1.14.0-DEV.1893 libxc Version 7.0.0 FFTW.jl provider fftw v3.3.10  BLAS.get_config()  LinearAlgebra.BLAS.LBTConfig  Libraries:  └ [ILP64] libopenblas64_.so  MPI.versioninfo()  MPIPreferences:  binary: MPICH_jll  abi: MPICH   Package versions  MPI.jl: 0.20.24  MPIPreferences.jl: 0.1.12  MPICH_jll: 4.3.2+0   Library information:  libmpi: /home/pkgeval/.julia/artifacts/117d9048128625bb3418b0b4cca48739c5d28740/lib/libmpi.so  libmpi dlpath: /home/pkgeval/.julia/artifacts/117d9048128625bb3418b0b4cca48739c5d28740/lib/libmpi.so  MPI version: 4.1.0  Library version:  MPICH Version: 4.3.1  MPICH Release date: Fri Jun 20 09:24:41 AM CDT 2025  MPICH ABI: 17:1:5  MPICH Device: ch3:nemesis  MPICH configure: --build=x86_64-linux-musl --disable-dependency-tracking --disable-doc --enable-fast=ndebug,O3 --enable-static=no --host=x86_64-linux-gnu --prefix=/workspace/destdir --with-device=ch3 --with-hwloc=/workspace/destdir  MPICH CC: cc -DNDEBUG -DNVALGRIND -O3  MPICH CXX: c++ -DNDEBUG -DNVALGRIND -O3  MPICH F77: gfortran -O3  MPICH FC: gfortran -O3  MPICH features:   MPI launcher: /home/pkgeval/.julia/artifacts/117d9048128625bb3418b0b4cca48739c5d28740/bin/mpiexec  MPI launcher path: /home/pkgeval/.julia/artifacts/117d9048128625bb3418b0b4cca48739c5d28740/bin/mpiexec    PlaneWaveBasis discretization:  architecture : DFTK.CPU()  num. mpi processes : 1  num. julia threads : 1  num. DFTK threads : 1  num. blas threads : 1  num. fft threads : 1   Ecut : 10.0 Ha  fft_size : (24, 24, 24), 13824 total points  kgrid : MonkhorstPack([2, 2, 2])  num. red. kpoints : 8  num. irred. kpoints : 3   Estimated memory usage (per MPI process):  nonlocal projectors : 193KiB  single ψ : 154KiB  single ρ : 108KiB  peak memory (SCF) : 2.06MiB   Discretized Model(lda_x+lda_c_pw, 3D):  lattice (in Bohr) : [0 , 5.13155 , 5.13155 ]  [5.13155 , 0 , 5.13155 ]  [5.13155 , 5.13155 , 0 ]  unit cell volume : 270.26 Bohr³   atoms : Si₂  atom potentials : ElementPsp(:Si, "hgh/lda/si-q4")  ElementPsp(:Si, "hgh/lda/si-q4")   num. electrons : 8  spin polarization : none  temperature : 0.001 Ha  smearing : DFTK.Smearing.Gaussian()   terms : Kinetic()  DFTK.AtomicLocal()  DFTK.AtomicNonlocal()  DFTK.Ewald(nothing)  DFTK.PspCorrection()  Hartree()  Xc(lda_x, lda_c_pw)  DFTK.Entropy() ERROR: LoadError: MethodError: no method matching unsafe_convert(::Type{MPI.API.MPIPtr}, ::Base.OffsetCConvert{Int64, MemoryRef{Int64}}) The function `unsafe_convert` exists, but no method is defined for this combination of argument types.  Closest candidates are:  unsafe_convert(::Type{MPI.API.MPIPtr}, !Matched::MPI.API.SentinelPtr)  @ MPI ~/.julia/packages/MPI/VBXZG/src/api/api.jl:80  unsafe_convert(::Type{MPI.API.MPIPtr}, !Matched::String)  @ MPI ~/.julia/packages/MPI/VBXZG/src/buffers.jl:13  unsafe_convert(::Type{MPI.API.MPIPtr}, !Matched::Union{Ptr{T}, Ref{T}, SubArray{T}, Array{T}}) where T  @ MPI ~/.julia/packages/MPI/VBXZG/src/buffers.jl:6  ...  Stacktrace:  [1] MPI_Gatherv(sendbuf::SubArray{Int64, 1, Vector{Int64}, Tuple{UnitRange{Int64}}, true}, sendcount::Int32, sendtype::MPI.Datatype, recvbuf::Vector{Int64}, recvcounts::Vector{Int32}, displs::Vector{Int32}, recvtype::MPI.Datatype, root::Int32, comm::MPI.Comm)  @ MPI.API ~/.julia/packages/MPI/VBXZG/src/api/generated_api.jl:432  [2] Gatherv!(sendbuf::MPI.Buffer{SubArray{Int64, 1, Vector{Int64}, Tuple{UnitRange{Int64}}, true}}, recvbuf::MPI.VBuffer{Vector{Int64}}, root::Int32, comm::MPI.Comm)  @ MPI ~/.julia/packages/MPI/VBXZG/src/collective.jl:416  [3] Gatherv!(sendbuf::SubArray{Int64, 1, Vector{Int64}, Tuple{UnitRange{Int64}}, true}, recvbuf::MPI.VBuffer{Vector{Int64}}, root::Int32, comm::MPI.Comm)  @ MPI ~/.julia/packages/MPI/VBXZG/src/collective.jl:420  [4] Gatherv!(sendbuf::SubArray{Int64, 1, Vector{Int64}, Tuple{UnitRange{Int64}}, true}, recvbuf::MPI.VBuffer{Vector{Int64}}, comm::MPI.Comm; root::Int32)  @ MPI ~/.julia/packages/MPI/VBXZG/src/collective.jl:407  [5] gather_kpts_block!(dest::Vector{Int64}, basis::DFTK.PlaneWaveBasis{Float64, Float64, DFTK.CPU, DFTK.FFTGrid{Float64, Float64, Array{StaticArraysCore.SVector{3, Int64}, 3}, Array{StaticArraysCore.SVector{3, Float64}, 3}}, Vector{StaticArraysCore.SVector{3, Int64}}}, kdata::Vector{Int64})  @ DFTK ~/.julia/packages/DFTK/sGFEm/src/PlaneWaveBasis.jl:590  [6] gather_kpts_block(basis::DFTK.PlaneWaveBasis{Float64, Float64, DFTK.CPU, DFTK.FFTGrid{Float64, Float64, Array{StaticArraysCore.SVector{3, Int64}, 3}, Array{StaticArraysCore.SVector{3, Float64}, 3}}, Vector{StaticArraysCore.SVector{3, Int64}}}, kdata::Vector{Int64})  @ DFTK ~/.julia/packages/DFTK/sGFEm/src/PlaneWaveBasis.jl:600  [7] (::DFTK.var"#gather_and_store!#298")(dict::JLD2.Group{JLD2.JLDFile{JLD2.MmapIO}}, key::String, basis::DFTK.PlaneWaveBasis{Float64, Float64, DFTK.CPU, DFTK.FFTGrid{Float64, Float64, Array{StaticArraysCore.SVector{3, Int64}, 3}, Array{StaticArraysCore.SVector{3, Float64}, 3}}, Vector{StaticArraysCore.SVector{3, Int64}}}, data::Vector{Int64})  @ DFTK ~/.julia/packages/DFTK/sGFEm/src/input_output.jl:262  [8] band_data_to_dict!(dict::JLD2.JLDFile{JLD2.MmapIO}, band_data::@NamedTuple{ham::DFTK.Hamiltonian, basis::DFTK.PlaneWaveBasis{Float64, Float64, DFTK.CPU, DFTK.FFTGrid{Float64, Float64, Array{StaticArraysCore.SVector{3, Int64}, 3}, Array{StaticArraysCore.SVector{3, Float64}, 3}}, Vector{StaticArraysCore.SVector{3, Int64}}}, converged::Bool, stage::Symbol, algorithm::String, τ::Nothing, hubbard_n::Nothing, α::Float64, n_iter::Int64, occupation_threshold::Float64, seed::UInt64, runtime_ns::UInt64, ψ::Vector{Matrix{ComplexF64}}, eigenvalues::Vector{Vector{Float64}}, occupation::Vector{Vector{Float64}}, εF::Float64, diagonalization::Vector{@NamedTuple{λ::Vector{Vector{Float64}}, X::Vector{Matrix{ComplexF64}}, residual_norms::Vector{Vector{Float64}}, n_iter::Vector{Int64}, converged::Bool, n_matvec::Int64}}, n_bands_converge::Int64, n_matvec::Int64, energies::DFTK.Energies{Float64}, history_Etot::Vector{Float64}, history_Δρ::Vector{Float64}, timedout::Bool, ρ::Array{Float64, 4}}; save_ψ::Bool, save_ρ::Nothing)  @ DFTK ~/.julia/packages/DFTK/sGFEm/src/input_output.jl:296  [9] band_data_to_dict!  @ ~/.julia/packages/DFTK/sGFEm/src/input_output.jl:239 [inlined]  [10] scfres_to_dict!(dict::JLD2.JLDFile{JLD2.MmapIO}, scfres::@NamedTuple{ham::DFTK.Hamiltonian, basis::DFTK.PlaneWaveBasis{Float64, Float64, DFTK.CPU, DFTK.FFTGrid{Float64, Float64, Array{StaticArraysCore.SVector{3, Int64}, 3}, Array{StaticArraysCore.SVector{3, Float64}, 3}}, Vector{StaticArraysCore.SVector{3, Int64}}}, converged::Bool, stage::Symbol, algorithm::String, τ::Nothing, hubbard_n::Nothing, α::Float64, n_iter::Int64, occupation_threshold::Float64, seed::UInt64, runtime_ns::UInt64, ψ::Vector{Matrix{ComplexF64}}, eigenvalues::Vector{Vector{Float64}}, occupation::Vector{Vector{Float64}}, εF::Float64, diagonalization::Vector{@NamedTuple{λ::Vector{Vector{Float64}}, X::Vector{Matrix{ComplexF64}}, residual_norms::Vector{Vector{Float64}}, n_iter::Vector{Int64}, converged::Bool, n_matvec::Int64}}, n_bands_converge::Int64, n_matvec::Int64, energies::DFTK.Energies{Float64}, history_Etot::Vector{Float64}, history_Δρ::Vector{Float64}, timedout::Bool, ρ::Array{Float64, 4}}; save_ψ::Bool, save_ρ::Bool)  @ DFTK ~/.julia/packages/DFTK/sGFEm/src/input_output.jl:351  [11] scfres_to_dict!  @ ~/.julia/packages/DFTK/sGFEm/src/input_output.jl:348 [inlined]  [12] (::DFTKJLD2Ext.var"#3#4"{Bool, Bool, Dict{String, Any}, typeof(DFTK.scfres_to_dict!), @NamedTuple{ham::DFTK.Hamiltonian, basis::DFTK.PlaneWaveBasis{Float64, Float64, DFTK.CPU, DFTK.FFTGrid{Float64, Float64, Array{StaticArraysCore.SVector{3, Int64}, 3}, Array{StaticArraysCore.SVector{3, Float64}, 3}}, Vector{StaticArraysCore.SVector{3, Int64}}}, converged::Bool, stage::Symbol, algorithm::String, τ::Nothing, hubbard_n::Nothing, α::Float64, n_iter::Int64, occupation_threshold::Float64, seed::UInt64, runtime_ns::UInt64, ψ::Vector{Matrix{ComplexF64}}, eigenvalues::Vector{Vector{Float64}}, occupation::Vector{Vector{Float64}}, εF::Float64, diagonalization::Vector{@NamedTuple{λ::Vector{Vector{Float64}}, X::Vector{Matrix{ComplexF64}}, residual_norms::Vector{Vector{Float64}}, n_iter::Vector{Int64}, converged::Bool, n_matvec::Int64}}, n_bands_converge::Int64, n_matvec::Int64, energies::DFTK.Energies{Float64}, history_Etot::Vector{Float64}, history_Δρ::Vector{Float64}, timedout::Bool, ρ::Array{Float64, 4}}})(jld::JLD2.JLDFile{JLD2.MmapIO})  @ DFTKJLD2Ext ~/.julia/packages/DFTK/sGFEm/ext/DFTKJLD2Ext.jl:14  [13] jldopen(::Function, ::String, ::Vararg{String}; kws::@Kwargs{compress::Bool})  @ JLD2 ~/.julia/packages/JLD2/SgtOb/src/loadsave.jl:4  [14] jldopen  @ ~/.julia/packages/JLD2/SgtOb/src/loadsave.jl:1 [inlined]  [15] save_jld2(to_dict_function!::typeof(DFTK.scfres_to_dict!), file::String, scfres::@NamedTuple{ham::DFTK.Hamiltonian, basis::DFTK.PlaneWaveBasis{Float64, Float64, DFTK.CPU, DFTK.FFTGrid{Float64, Float64, Array{StaticArraysCore.SVector{3, Int64}, 3}, Array{StaticArraysCore.SVector{3, Float64}, 3}}, Vector{StaticArraysCore.SVector{3, Int64}}}, converged::Bool, stage::Symbol, algorithm::String, τ::Nothing, hubbard_n::Nothing, α::Float64, n_iter::Int64, occupation_threshold::Float64, seed::UInt64, runtime_ns::UInt64, ψ::Vector{Matrix{ComplexF64}}, eigenvalues::Vector{Vector{Float64}}, occupation::Vector{Vector{Float64}}, εF::Float64, diagonalization::Vector{@NamedTuple{λ::Vector{Vector{Float64}}, X::Vector{Matrix{ComplexF64}}, residual_norms::Vector{Vector{Float64}}, n_iter::Vector{Int64}, converged::Bool, n_matvec::Int64}}, n_bands_converge::Int64, n_matvec::Int64, energies::DFTK.Energies{Float64}, history_Etot::Vector{Float64}, history_Δρ::Vector{Float64}, timedout::Bool, ρ::Array{Float64, 4}}; save_ψ::Bool, save_ρ::Bool, extra_data::Dict{String, Any}, compress::Bool)  @ DFTKJLD2Ext ~/.julia/packages/DFTK/sGFEm/ext/DFTKJLD2Ext.jl:13  [16] save_jld2  @ ~/.julia/packages/DFTK/sGFEm/ext/DFTKJLD2Ext.jl:10 [inlined]  [17] #save_scfres#5  @ ~/.julia/packages/DFTK/sGFEm/ext/DFTKJLD2Ext.jl:33 [inlined]  [18] kwcall(::@NamedTuple{save_ψ::Bool, save_ρ::Bool, extra_data::Dict{String, Any}, compress::Bool}, ::typeof(DFTK.save_scfres), ::Val{:jld2}, file::String, scfres::@NamedTuple{ham::DFTK.Hamiltonian, basis::DFTK.PlaneWaveBasis{Float64, Float64, DFTK.CPU, DFTK.FFTGrid{Float64, Float64, Array{StaticArraysCore.SVector{3, Int64}, 3}, Array{StaticArraysCore.SVector{3, Float64}, 3}}, Vector{StaticArraysCore.SVector{3, Int64}}}, converged::Bool, stage::Symbol, algorithm::String, τ::Nothing, hubbard_n::Nothing, α::Float64, n_iter::Int64, occupation_threshold::Float64, seed::UInt64, runtime_ns::UInt64, ψ::Vector{Matrix{ComplexF64}}, eigenvalues::Vector{Vector{Float64}}, occupation::Vector{Vector{Float64}}, εF::Float64, diagonalization::Vector{@NamedTuple{λ::Vector{Vector{Float64}}, X::Vector{Matrix{ComplexF64}}, residual_norms::Vector{Vector{Float64}}, n_iter::Vector{Int64}, converged::Bool, n_matvec::Int64}}, n_bands_converge::Int64, n_matvec::Int64, energies::DFTK.Energies{Float64}, history_Etot::Vector{Float64}, history_Δρ::Vector{Float64}, timedout::Bool, ρ::Array{Float64, 4}})  @ DFTKJLD2Ext ~/.julia/packages/DFTK/sGFEm/ext/DFTKJLD2Ext.jl:32  [19] save_scfres(filename::String, scfres::@NamedTuple{ham::DFTK.Hamiltonian, basis::DFTK.PlaneWaveBasis{Float64, Float64, DFTK.CPU, DFTK.FFTGrid{Float64, Float64, Array{StaticArraysCore.SVector{3, Int64}, 3}, Array{StaticArraysCore.SVector{3, Float64}, 3}}, Vector{StaticArraysCore.SVector{3, Int64}}}, converged::Bool, stage::Symbol, algorithm::String, τ::Nothing, hubbard_n::Nothing, α::Float64, n_iter::Int64, occupation_threshold::Float64, seed::UInt64, runtime_ns::UInt64, ψ::Vector{Matrix{ComplexF64}}, eigenvalues::Vector{Vector{Float64}}, occupation::Vector{Vector{Float64}}, εF::Float64, diagonalization::Vector{@NamedTuple{λ::Vector{Vector{Float64}}, X::Vector{Matrix{ComplexF64}}, residual_norms::Vector{Vector{Float64}}, n_iter::Vector{Int64}, converged::Bool, n_matvec::Int64}}, n_bands_converge::Int64, n_matvec::Int64, energies::DFTK.Energies{Float64}, history_Etot::Vector{Float64}, history_Δρ::Vector{Float64}, timedout::Bool, ρ::Array{Float64, 4}}; save_ψ::Bool, extra_data::Dict{String, Any}, compress::Bool, save_ρ::Bool)  @ DFTK ~/.julia/packages/DFTK/sGFEm/src/scf/scfres.jl:69  [20] kwcall(::@NamedTuple{save_ψ::Bool, compress::Bool}, ::typeof(DFTK.save_scfres), filename::String, scfres::@NamedTuple{ham::DFTK.Hamiltonian, basis::DFTK.PlaneWaveBasis{Float64, Float64, DFTK.CPU, DFTK.FFTGrid{Float64, Float64, Array{StaticArraysCore.SVector{3, Int64}, 3}, Array{StaticArraysCore.SVector{3, Float64}, 3}}, Vector{StaticArraysCore.SVector{3, Int64}}}, converged::Bool, stage::Symbol, algorithm::String, τ::Nothing, hubbard_n::Nothing, α::Float64, n_iter::Int64, occupation_threshold::Float64, seed::UInt64, runtime_ns::UInt64, ψ::Vector{Matrix{ComplexF64}}, eigenvalues::Vector{Vector{Float64}}, occupation::Vector{Vector{Float64}}, εF::Float64, diagonalization::Vector{@NamedTuple{λ::Vector{Vector{Float64}}, X::Vector{Matrix{ComplexF64}}, residual_norms::Vector{Vector{Float64}}, n_iter::Vector{Int64}, converged::Bool, n_matvec::Int64}}, n_bands_converge::Int64, n_matvec::Int64, energies::DFTK.Energies{Float64}, history_Etot::Vector{Float64}, history_Δρ::Vector{Float64}, timedout::Bool, ρ::Array{Float64, 4}})  @ DFTK ~/.julia/packages/DFTK/sGFEm/src/scf/scfres.jl:69  [21] (::DFTK.ScfSaveCheckpoints)(info::@NamedTuple{ham::DFTK.Hamiltonian, basis::DFTK.PlaneWaveBasis{Float64, Float64, DFTK.CPU, DFTK.FFTGrid{Float64, Float64, Array{StaticArraysCore.SVector{3, Int64}, 3}, Array{StaticArraysCore.SVector{3, Float64}, 3}}, Vector{StaticArraysCore.SVector{3, Int64}}}, converged::Bool, stage::Symbol, algorithm::String, ρin::Array{Float64, 4}, τ::Nothing, hubbard_n::Nothing, α::Float64, n_iter::Int64, occupation_threshold::Float64, seed::UInt64, runtime_ns::UInt64, ψ::Vector{Matrix{ComplexF64}}, eigenvalues::Vector{Vector{Float64}}, occupation::Vector{Vector{Float64}}, εF::Float64, ρout::Array{Float64, 4}, diagonalization::Vector{@NamedTuple{λ::Vector{Vector{Float64}}, X::Vector{Matrix{ComplexF64}}, residual_norms::Vector{Vector{Float64}}, n_iter::Vector{Int64}, converged::Bool, n_matvec::Int64}}, n_bands_converge::Int64, n_matvec::Int64, energies::DFTK.Energies{Float64}, history_Etot::Vector{Float64}, history_Δρ::Vector{Float64}, timedout::Bool})  @ DFTK ~/.julia/packages/DFTK/sGFEm/src/scf/scf_callbacks.jl:23  [22] call_composed  @ ./operators.jl:1108 [inlined]  [23] call_composed  @ ./operators.jl:1107 [inlined]  [24] (::ComposedFunction{DFTK.ScfDefaultCallback, DFTK.ScfSaveCheckpoints})(x::@NamedTuple{ham::DFTK.Hamiltonian, basis::DFTK.PlaneWaveBasis{Float64, Float64, DFTK.CPU, DFTK.FFTGrid{Float64, Float64, Array{StaticArraysCore.SVector{3, Int64}, 3}, Array{StaticArraysCore.SVector{3, Float64}, 3}}, Vector{StaticArraysCore.SVector{3, Int64}}}, converged::Bool, stage::Symbol, algorithm::String, ρin::Array{Float64, 4}, τ::Nothing, hubbard_n::Nothing, α::Float64, n_iter::Int64, occupation_threshold::Float64, seed::UInt64, runtime_ns::UInt64, ψ::Vector{Matrix{ComplexF64}}, eigenvalues::Vector{Vector{Float64}}, occupation::Vector{Vector{Float64}}, εF::Float64, ρout::Array{Float64, 4}, diagonalization::Vector{@NamedTuple{λ::Vector{Vector{Float64}}, X::Vector{Matrix{ComplexF64}}, residual_norms::Vector{Vector{Float64}}, n_iter::Vector{Int64}, converged::Bool, n_matvec::Int64}}, n_bands_converge::Int64, n_matvec::Int64, energies::DFTK.Energies{Float64}, history_Etot::Vector{Float64}, history_Δρ::Vector{Float64}, timedout::Bool})  @ Base ./operators.jl:1104  [25] (::DFTK.var"#fixpoint_map#1018"{Float64, DFTK.ScfConvergenceEnergy, Int64, DFTK.KerkerDosMixing, Float64, typeof(DFTK.lobpcg_hyper), DFTK.AdaptiveDiagtol, DFTK.AdaptiveBands, DFTK.FermiBisection, DFTK.AceExx, ComposedFunction{DFTK.ScfDefaultCallback, DFTK.ScfSaveCheckpoints}, Bool, UInt64, DFTK.PlaneWaveBasis{Float64, Float64, DFTK.CPU, DFTK.FFTGrid{Float64, Float64, Array{StaticArraysCore.SVector{3, Int64}, 3}, Array{StaticArraysCore.SVector{3, Float64}, 3}}, Vector{StaticArraysCore.SVector{3, Int64}}}, Dates.DateTime, UInt64})(ρin::Array{Float64, 4}, info::@NamedTuple{ρin::Array{Float64, 4}, τ::Nothing, hubbard_n::Nothing, ψ::Nothing, occupation::Nothing, eigenvalues::Nothing, εF::Nothing, n_iter::Int64, n_matvec::Int64, timedout::Bool, converged::Bool, history_Etot::Vector{Float64}, history_Δρ::Vector{Float64}})  @ DFTK ./none:-1  [26] (::DFTK.var"#anderson#978"{DFTK.var"#anderson#977#979"{Int64, @Kwargs{}}})(f::DFTK.var"#fixpoint_map#1018"{Float64, DFTK.ScfConvergenceEnergy, Int64, DFTK.KerkerDosMixing, Float64, typeof(DFTK.lobpcg_hyper), DFTK.AdaptiveDiagtol, DFTK.AdaptiveBands, DFTK.FermiBisection, DFTK.AceExx, ComposedFunction{DFTK.ScfDefaultCallback, DFTK.ScfSaveCheckpoints}, Bool, UInt64, DFTK.PlaneWaveBasis{Float64, Float64, DFTK.CPU, DFTK.FFTGrid{Float64, Float64, Array{StaticArraysCore.SVector{3, Int64}, 3}, Array{StaticArraysCore.SVector{3, Float64}, 3}}, Vector{StaticArraysCore.SVector{3, Int64}}}, Dates.DateTime, UInt64}, x0::Array{Float64, 4}, info0::@NamedTuple{ρin::Array{Float64, 4}, τ::Nothing, hubbard_n::Nothing, ψ::Nothing, occupation::Nothing, eigenvalues::Nothing, εF::Nothing, n_iter::Int64, n_matvec::Int64, timedout::Bool, converged::Bool, history_Etot::Vector{Float64}, history_Δρ::Vector{Float64}}; maxiter::Int64)  @ DFTK ~/.julia/packages/DFTK/sGFEm/src/scf/scf_solvers.jl:65  [27] kwcall(::@NamedTuple{maxiter::Int64}, ::DFTK.var"#anderson#978"{DFTK.var"#anderson#977#979"{Int64, @Kwargs{}}}, f::Function, x0::Array{Float64, 4}, info0::@NamedTuple{ρin::Array{Float64, 4}, τ::Nothing, hubbard_n::Nothing, ψ::Nothing, occupation::Nothing, eigenvalues::Nothing, εF::Nothing, n_iter::Int64, n_matvec::Int64, timedout::Bool, converged::Bool, history_Etot::Vector{Float64}, history_Δρ::Vector{Float64}})  @ DFTK ~/.julia/packages/DFTK/sGFEm/src/scf/scf_solvers.jl:59  [28] self_consistent_field(basis::DFTK.PlaneWaveBasis{Float64, Float64, DFTK.CPU, DFTK.FFTGrid{Float64, Float64, Array{StaticArraysCore.SVector{3, Int64}, 3}, Array{StaticArraysCore.SVector{3, Float64}, 3}}, Vector{StaticArraysCore.SVector{3, Int64}}}; ρ::Array{Float64, 4}, τ::Nothing, hubbard_n::Nothing, ψ::Nothing, occupation::Nothing, eigenvalues::Nothing, tol::Float64, is_converged::DFTK.ScfConvergenceEnergy, miniter::Int64, maxiter::Int64, maxtime::Dates.Second, mixing::DFTK.KerkerDosMixing, damping::Float64, solver::DFTK.var"#anderson#978"{DFTK.var"#anderson#977#979"{Int64, @Kwargs{}}}, eigensolver::typeof(DFTK.lobpcg_hyper), diagtolalg::DFTK.AdaptiveDiagtol, nbandsalg::DFTK.AdaptiveBands, fermialg::DFTK.FermiBisection, exxalg::DFTK.AceExx, callback::ComposedFunction{DFTK.ScfDefaultCallback, DFTK.ScfSaveCheckpoints}, compute_consistent_energies::Bool, seed::Nothing, response::DFTK.ResponseOptions)  @ DFTK ~/.julia/packages/DFTK/sGFEm/src/scf/self_consistent_field.jl:135  [29] kwcall(::@NamedTuple{callback::ComposedFunction{DFTK.ScfDefaultCallback, DFTK.ScfSaveCheckpoints}, diagtolalg::DFTK.AdaptiveDiagtol, ψ::Nothing, ρ::Array{Float64, 4}, τ::Nothing, hubbard_n::Nothing, occupation::Nothing, maxtime::Dates.Second, mixing::DFTK.KerkerDosMixing, is_converged::DFTK.ScfConvergenceEnergy, nbandsalg::DFTK.AdaptiveBands}, ::typeof(DFTK.self_consistent_field), basis::DFTK.PlaneWaveBasis{Float64, Float64, DFTK.CPU, DFTK.FFTGrid{Float64, Float64, Array{StaticArraysCore.SVector{3, Int64}, 3}, Array{StaticArraysCore.SVector{3, Float64}, 3}}, Vector{StaticArraysCore.SVector{3, Int64}}})  @ DFTK ~/.julia/packages/DFTK/sGFEm/src/scf/self_consistent_field.jl:135  [30] run_self_consistent_field(data::JSON3.Object{Base.CodeUnits{UInt8, String}, Vector{UInt64}}, system::AtomsBase.FlexibleSystem{3, AtomsBase.Atom{3, Unitful.Quantity{Float64, 𝐋, Unitful.FreeUnits{(a₀,), 𝐋, nothing}}, Unitful.Quantity{Float64, 𝐋 𝐓^-1, Unitful.FreeUnits{(nm, s^-1), 𝐋 𝐓^-1, nothing}}, Unitful.Quantity{Float64, 𝐌, Unitful.FreeUnits{(u,), 𝐌, nothing}}}, AtomsBase.PeriodicCell{3, Unitful.Quantity{Float64, 𝐋, Unitful.FreeUnits{(a₀,), 𝐋, nothing}}}}, basis::DFTK.PlaneWaveBasis{Float64, Float64, DFTK.CPU, DFTK.FFTGrid{Float64, Float64, Array{StaticArraysCore.SVector{3, Int64}, 3}, Array{StaticArraysCore.SVector{3, Float64}, 3}}, Vector{StaticArraysCore.SVector{3, Int64}}})  @ AiidaDFTK ~/.julia/packages/AiidaDFTK/Rg7zS/src/AiidaDFTK.jl:77  [31] run_scf(data::JSON3.Object{Base.CodeUnits{UInt8, String}, Vector{UInt64}}, system::AtomsBase.FlexibleSystem{3, AtomsBase.Atom{3, Unitful.Quantity{Float64, 𝐋, Unitful.FreeUnits{(a₀,), 𝐋, nothing}}, Unitful.Quantity{Float64, 𝐋 𝐓^-1, Unitful.FreeUnits{(nm, s^-1), 𝐋 𝐓^-1, nothing}}, Unitful.Quantity{Float64, 𝐌, Unitful.FreeUnits{(u,), 𝐌, nothing}}}, AtomsBase.PeriodicCell{3, Unitful.Quantity{Float64, 𝐋, Unitful.FreeUnits{(a₀,), 𝐋, nothing}}}}, basis::DFTK.PlaneWaveBasis{Float64, Float64, DFTK.CPU, DFTK.FFTGrid{Float64, Float64, Array{StaticArraysCore.SVector{3, Int64}, 3}, Array{StaticArraysCore.SVector{3, Float64}, 3}}, Vector{StaticArraysCore.SVector{3, Int64}}})  @ AiidaDFTK ~/.julia/packages/AiidaDFTK/Rg7zS/src/AiidaDFTK.jl:88  [32] _run(; inputfile::String, allowed_versions::String)  @ AiidaDFTK ~/.julia/packages/AiidaDFTK/Rg7zS/src/AiidaDFTK.jl:167  [33] _run  @ ~/.julia/packages/AiidaDFTK/Rg7zS/src/AiidaDFTK.jl:111 [inlined]  [34] (::AiidaDFTK.var"#19#20"{String, String})()  @ AiidaDFTK ~/.julia/packages/AiidaDFTK/Rg7zS/src/AiidaDFTK.jl:224  [35] with_logstate(f::AiidaDFTK.var"#19#20"{String, String}, logstate::Base.CoreLogging.LogState)  @ Base.CoreLogging ./logging/logging.jl:542  [36] with_logger  @ ./logging/logging.jl:653 [inlined]  [37] run(; inputfile::String, allowed_versions::String)  @ AiidaDFTK ~/.julia/packages/AiidaDFTK/Rg7zS/src/AiidaDFTK.jl:218  [38] run  @ ~/.julia/packages/AiidaDFTK/Rg7zS/src/AiidaDFTK.jl:205 [inlined]  [39] macro expansion  @ ~/.julia/packages/AiidaDFTK/Rg7zS/src/AiidaDFTK.jl:249 [inlined]  [40] macro expansion  @ ~/.julia/packages/PrecompileTools/gn08A/src/workloads.jl:73 [inlined]  [41] (::AiidaDFTK.var"#25#26"{String})()  @ AiidaDFTK ~/.julia/packages/AiidaDFTK/Rg7zS/src/AiidaDFTK.jl:248  [42] cd(f::AiidaDFTK.var"#25#26"{String}, dir::String)  @ Base.Filesystem ./file.jl:112  [43] #23  @ ~/.julia/packages/AiidaDFTK/Rg7zS/src/AiidaDFTK.jl:247 [inlined]  [44] mktempdir(fn::AiidaDFTK.var"#23#24"{String}, parent::String; prefix::String)  @ Base.Filesystem ./file.jl:936  [45] mktempdir(fn::Function, parent::String)  @ Base.Filesystem ./file.jl:932  [46] macro expansion  @ ~/.julia/packages/AiidaDFTK/Rg7zS/src/AiidaDFTK.jl:246 [inlined]  [47] macro expansion  @ ~/.julia/packages/PrecompileTools/gn08A/src/workloads.jl:121 [inlined]  [48] top-level scope  @ ~/.julia/packages/AiidaDFTK/Rg7zS/src/AiidaDFTK.jl:118  [49] include(mod::Module, _path::String)  @ Base ./Base.jl:323  [50] include_package_for_output(pkg::Base.PkgId, input::String, syntax_version::VersionNumber, depot_path::Vector{String}, dl_load_path::Vector{String}, load_path::Vector{String}, concrete_deps::Vector{Pair{Base.PkgId, UInt128}}, source::Nothing)  @ Base ./loading.jl:3289  [51] top-level scope  @ stdin:5  [52] eval(m::Module, e::Any)  @ Core ./boot.jl:517  [53] include_string(mapexpr::typeof(identity), mod::Module, code::String, filename::String)  @ Base ./loading.jl:3131  [54] include_string  @ ./loading.jl:3141 [inlined]  [55] exec_options(opts::Base.JLOptions)  @ Base ./client.jl:342  [56] _start()  @ Base ./client.jl:585 in expression starting at /home/pkgeval/.julia/packages/AiidaDFTK/Rg7zS/src/AiidaDFTK.jl:1 in expression starting at stdin:5 1 dependency had output during precompilation: ┌ AiidaDFTK │ [Output was shown above] └ ERROR: LoadError: The following 1 package failed to precompile: AiidaDFTK Failed to precompile AiidaDFTK [26386dbc-b74b-4d9a-b75a-41d28ada84fc] to "/home/pkgeval/.julia/compiled/v1.14/AiidaDFTK/jl_fl1xcE" (ProcessExited(1)). in expression starting at /home/pkgeval/.julia/packages/AiidaDFTK/Rg7zS/test/runtests.jl:1 Testing failed after 214.88s ERROR: LoadError: Package AiidaDFTK errored during testing Stacktrace: [1] pkgerror(msg::String) @ Pkg.Types /opt/julia/share/julia/stdlib/v1.14/Pkg/src/Types.jl:68 [2] test(ctx::Pkg.Types.Context, pkgs::Vector{PackageSpec}; coverage::Bool, julia_args::Cmd, test_args::Cmd, test_fn::Nothing, force_latest_compatible_version::Bool, allow_earlier_backwards_compatible_versions::Bool, allow_reresolve::Bool) @ Pkg.Operations /opt/julia/share/julia/stdlib/v1.14/Pkg/src/Operations.jl:3138 [3] test @ /opt/julia/share/julia/stdlib/v1.14/Pkg/src/Operations.jl:3003 [inlined] [4] test(ctx::Pkg.Types.Context, pkgs::Vector{PackageSpec}; coverage::Bool, test_fn::Nothing, julia_args::Cmd, test_args::Cmd, force_latest_compatible_version::Bool, allow_earlier_backwards_compatible_versions::Bool, allow_reresolve::Bool, kwargs::@Kwargs{io::IOContext{IO}}) @ Pkg.API /opt/julia/share/julia/stdlib/v1.14/Pkg/src/API.jl:586 [5] kwcall(::@NamedTuple{julia_args::Cmd, io::IOContext{IO}}, ::typeof(Pkg.API.test), ctx::Pkg.Types.Context, pkgs::Vector{PackageSpec}) @ Pkg.API /opt/julia/share/julia/stdlib/v1.14/Pkg/src/API.jl:562 [6] test(pkgs::Vector{PackageSpec}; io::IOContext{IO}, kwargs::@Kwargs{julia_args::Cmd}) @ Pkg.API /opt/julia/share/julia/stdlib/v1.14/Pkg/src/API.jl:172 [7] kwcall(::@NamedTuple{julia_args::Cmd}, ::typeof(Pkg.API.test), pkgs::Vector{PackageSpec}) @ Pkg.API /opt/julia/share/julia/stdlib/v1.14/Pkg/src/API.jl:161 [8] test(pkgs::Vector{String}; kwargs::@Kwargs{julia_args::Cmd}) @ Pkg.API /opt/julia/share/julia/stdlib/v1.14/Pkg/src/API.jl:160 [9] test @ /opt/julia/share/julia/stdlib/v1.14/Pkg/src/API.jl:160 [inlined] [10] kwcall(::@NamedTuple{julia_args::Cmd}, ::typeof(Pkg.API.test), pkg::String) @ Pkg.API /opt/julia/share/julia/stdlib/v1.14/Pkg/src/API.jl:159 [11] top-level scope @ /PkgEval.jl/scripts/evaluate.jl:223 [12] include(mod::Module, _path::String) @ Base ./Base.jl:323 [13] exec_options(opts::Base.JLOptions) @ Base ./client.jl:344 [14] _start() @ Base ./client.jl:585 in expression starting at /PkgEval.jl/scripts/evaluate.jl:214 PkgEval failed after 811.86s: package fails to precompile