Package evaluation to test MolSimToolkit on Julia 1.14.0-DEV.1299 (6d6224db99*) started at 2025-11-27T19:26:39.981 ################################################################################ # Set-up # Installing PkgEval dependencies (TestEnv)... Set-up completed after 9.8s ################################################################################ # Installation # Installing MolSimToolkit... Resolving package versions... Installed Rmath_jll ────────────────── v0.5.1+0 Installed MacroTools ───────────────── v0.5.16 Installed DiffResults ──────────────── v1.1.0 Installed ForwardDiff ──────────────── v1.3.0 Installed FillArrays ───────────────── v1.15.0 Installed AtomsBase ────────────────── v0.5.2 Installed DataStructures ───────────── v0.19.3 Installed Adapt ────────────────────── v4.4.0 Installed InlineStrings ────────────── v1.4.5 Installed DelimitedFiles ───────────── v1.9.1 Installed ConstructionBase ─────────── v1.6.0 Installed HypergeometricFunctions ──── v0.3.28 Installed AliasTables ──────────────── v1.1.3 Installed PeriodicTable ────────────── v1.2.1 Installed OrderedCollections ───────── v1.8.1 Installed ChunkSplitters ───────────── v3.1.2 Installed ArrayInterface ───────────── v7.22.0 Installed Compat ───────────────────── v4.18.1 Installed StatsBase ────────────────── v0.34.8 Installed SIMD ─────────────────────── v3.7.2 Installed CellListMap ──────────────── v0.9.14 Installed DataAPI ──────────────────── v1.16.0 Installed Statistics ───────────────── v1.11.1 Installed StatsAPI ─────────────────── v1.7.1 Installed LsqFit ───────────────────── v0.15.1 Installed OffsetArrays ─────────────── v1.17.0 Installed PrecompileTools ──────────── v1.3.3 Installed CommonSubexpressions ─────── v0.3.1 Installed ProgressMeter ────────────── v1.11.0 Installed StaticArraysCore ─────────── v1.4.4 Installed IrrationalConstants ──────── v0.2.6 Installed StaticArrays ─────────────── v1.9.15 Installed NaNMath ──────────────────── v1.1.3 Installed UnitfulAtomic ────────────── v1.0.0 Installed QuadGK ───────────────────── v2.11.2 Installed Requires ─────────────────── v1.3.1 Installed OpenSpecFun_jll ──────────── v0.5.6+0 Installed Chemfiles ────────────────── v0.10.43 Installed STRIDE_jll ───────────────── v1.0.0+0 Installed LogExpFunctions ──────────── v0.3.29 Installed DiffRules ────────────────── v1.15.1 Installed Rmath ────────────────────── v0.9.0 Installed Parameters ───────────────── v0.12.3 Installed FiniteDiff ───────────────── v2.29.0 Installed Distributions ────────────── v0.25.122 Installed StatsFuns ────────────────── v1.5.2 Installed PtrArrays ────────────────── v1.3.0 Installed NLSolversBase ────────────── v7.10.0 Installed Unitful ──────────────────── v1.25.1 Installed MolSimToolkitShared ──────── v1.2.1 Installed Reexport ─────────────────── v1.2.2 Installed Setfield ─────────────────── v1.1.2 Installed Missings ─────────────────── v1.2.0 Installed Preferences ──────────────── v1.5.0 Installed SpecialFunctions ─────────── v2.6.1 Installed DSSP_jll ─────────────────── v4.4.0+1 Installed JLLWrappers ──────────────── v1.7.1 Installed TestItems ────────────────── v1.0.0 Installed MDLovoFit_jll ────────────── v20.1.1+0 Installed LaTeXStrings ─────────────── v1.4.0 Installed PDMats ───────────────────── v0.11.36 Installed Chemfiles_jll ────────────── v0.10.4+0 Installed SortingAlgorithms ────────── v1.2.2 Installed Format ───────────────────── v1.3.7 Installed UnPack ───────────────────── v1.0.2 Installed EasyFit ──────────────────── v0.7.3 Installed ADTypes ──────────────────── v1.19.0 Installed DocStringExtensions ──────── v0.9.5 Installed DifferentiationInterface ─── v0.7.12 Installed ProteinSecondaryStructures ─ v2.0.3 Installed MolSimToolkit ────────────── v1.31.1 Installed PDBTools ─────────────────── v3.15.1 Installing 6 artifacts Installed artifact Rmath 121.9 KiB Installed artifact OpenSpecFun 194.9 KiB Installed artifact MDLovoFit 28.1 KiB Installed artifact STRIDE 353.3 KiB Installed artifact Chemfiles 1.6 MiB Installed artifact DSSP 3.8 MiB Updating `~/.julia/environments/v1.14/Project.toml` [054db54f] + MolSimToolkit v1.31.1 Updating `~/.julia/environments/v1.14/Manifest.toml` [47edcb42] + ADTypes v1.19.0 [79e6a3ab] + Adapt v4.4.0 [66dad0bd] + AliasTables v1.1.3 [4fba245c] + ArrayInterface v7.22.0 [a963bdd2] + AtomsBase v0.5.2 [69e1c6dd] + CellListMap v0.9.14 [46823bd8] + Chemfiles v0.10.43 [ae650224] + ChunkSplitters v3.1.2 [bbf7d656] + CommonSubexpressions v0.3.1 [34da2185] + Compat v4.18.1 [187b0558] + ConstructionBase v1.6.0 [9a962f9c] + DataAPI v1.16.0 [864edb3b] + DataStructures v0.19.3 [8bb1440f] + DelimitedFiles v1.9.1 [163ba53b] + DiffResults v1.1.0 [b552c78f] + DiffRules v1.15.1 [a0c0ee7d] + DifferentiationInterface v0.7.12 [31c24e10] + Distributions v0.25.122 [ffbed154] + DocStringExtensions v0.9.5 [fde71243] + EasyFit v0.7.3 [1a297f60] + FillArrays v1.15.0 [6a86dc24] + FiniteDiff v2.29.0 [1fa38f19] + Format v1.3.7 [f6369f11] + ForwardDiff v1.3.0 [34004b35] + HypergeometricFunctions v0.3.28 [842dd82b] + InlineStrings v1.4.5 [92d709cd] + IrrationalConstants v0.2.6 [692b3bcd] + JLLWrappers v1.7.1 [b964fa9f] + LaTeXStrings v1.4.0 [2ab3a3ac] + LogExpFunctions v0.3.29 [2fda8390] + LsqFit v0.15.1 [1914dd2f] + MacroTools v0.5.16 [e1d29d7a] + Missings v1.2.0 [054db54f] + MolSimToolkit v1.31.1 [aea21201] + MolSimToolkitShared v1.2.1 [d41bc354] + NLSolversBase v7.10.0 [77ba4419] + NaNMath v1.1.3 [6fe1bfb0] + OffsetArrays v1.17.0 [bac558e1] + OrderedCollections v1.8.1 [e29189f1] + PDBTools v3.15.1 [90014a1f] + PDMats v0.11.36 [d96e819e] + Parameters v0.12.3 [7b2266bf] + PeriodicTable v1.2.1 [aea7be01] + PrecompileTools v1.3.3 [21216c6a] + Preferences v1.5.0 [92933f4c] + ProgressMeter v1.11.0 [c298f58b] + ProteinSecondaryStructures v2.0.3 [43287f4e] + PtrArrays v1.3.0 [1fd47b50] + QuadGK v2.11.2 [189a3867] + Reexport v1.2.2 [ae029012] + Requires v1.3.1 [79098fc4] + Rmath v0.9.0 [fdea26ae] + SIMD v3.7.2 [efcf1570] + Setfield v1.1.2 [a2af1166] + SortingAlgorithms v1.2.2 [276daf66] + SpecialFunctions v2.6.1 [90137ffa] + StaticArrays v1.9.15 [1e83bf80] + StaticArraysCore v1.4.4 [10745b16] + Statistics v1.11.1 [82ae8749] + StatsAPI v1.7.1 [2913bbd2] + StatsBase v0.34.8 [4c63d2b9] + StatsFuns v1.5.2 [1c621080] + TestItems v1.0.0 [3a884ed6] + UnPack v1.0.2 [1986cc42] + Unitful v1.25.1 [a7773ee8] + UnitfulAtomic v1.0.0 [78a364fa] + Chemfiles_jll v0.10.4+0 [74334e00] + DSSP_jll v4.4.0+1 [d8780812] + MDLovoFit_jll v20.1.1+0 [efe28fd5] + OpenSpecFun_jll v0.5.6+0 [f50d1b31] + Rmath_jll v0.5.1+0 [850473c1] + STRIDE_jll v1.0.0+0 [0dad84c5] + ArgTools v1.1.2 [56f22d72] + Artifacts v1.11.0 [2a0f44e3] + Base64 v1.11.0 [ade2ca70] + Dates v1.11.0 [8ba89e20] + Distributed v1.11.0 [f43a241f] + Downloads v1.7.0 [7b1f6079] + FileWatching v1.11.0 [9fa8497b] + Future v1.11.0 [b77e0a4c] + InteractiveUtils v1.11.0 [ac6e5ff7] + JuliaSyntaxHighlighting v1.12.0 [b27032c2] + LibCURL v1.0.0 [8f399da3] + Libdl v1.11.0 [37e2e46d] + LinearAlgebra v1.13.0 [d6f4376e] + Markdown v1.11.0 [a63ad114] + Mmap v1.11.0 [ca575930] + NetworkOptions v1.3.0 [de0858da] + Printf v1.11.0 [9a3f8284] + Random v1.11.0 [ea8e919c] + SHA v1.0.0 [9e88b42a] + Serialization v1.11.0 [6462fe0b] + Sockets v1.11.0 [2f01184e] + SparseArrays v1.13.0 [f489334b] + StyledStrings v1.13.0 [4607b0f0] + SuiteSparse [fa267f1f] + TOML v1.0.3 [cf7118a7] + UUIDs v1.11.0 [4ec0a83e] + Unicode v1.11.0 [e66e0078] + CompilerSupportLibraries_jll v1.3.0+1 [deac9b47] + LibCURL_jll v8.17.0+0 [29816b5a] + LibSSH2_jll v1.11.3+1 [14a3606d] + MozillaCACerts_jll v2025.11.4 [4536629a] + OpenBLAS_jll v0.3.29+0 [05823500] + OpenLibm_jll v0.8.7+0 [458c3c95] + OpenSSL_jll v3.5.4+0 [bea87d4a] + SuiteSparse_jll v7.10.1+0 [83775a58] + Zlib_jll v1.3.1+2 [3161d3a3] + Zstd_jll v1.5.7+1 [8e850b90] + libblastrampoline_jll v5.15.0+0 [8e850ede] + nghttp2_jll v1.68.0+1 Installation completed after 12.01s ################################################################################ # Precompilation # Precompiling PkgEval dependencies... Precompiling packages... WARNING: Imported binding Operations.project_rel_path was undeclared at import time during import to TestEnv. 4991.5 ms ✓ TestEnv 1 dependency successfully precompiled in 6 seconds. 27 already precompiled. 1 dependency had output during precompilation: ┌ TestEnv │ WARNING: Imported binding Operations.project_rel_path was undeclared at import time during import to TestEnv. └ ┌ Error: Failed to use TestEnv.jl; test dependencies will not be precompiled │ exception = │ UndefVarError: `project_rel_path` not defined in `TestEnv` │ Suggestion: this global was defined as `Pkg.Operations.project_rel_path` but not assigned a value. │ Stacktrace: │ [1] get_test_dir(ctx::Pkg.Types.Context, pkgspec::PackageSpec) │ @ TestEnv ~/.julia/packages/TestEnv/i9lgt/src/julia-1.11/common.jl:75 │ [2] test_dir_has_project_file │ @ ~/.julia/packages/TestEnv/i9lgt/src/julia-1.11/common.jl:52 [inlined] │ [3] maybe_gen_project_override! │ @ ~/.julia/packages/TestEnv/i9lgt/src/julia-1.11/common.jl:83 [inlined] │ [4] activate(pkg::String; allow_reresolve::Bool) │ @ TestEnv ~/.julia/packages/TestEnv/i9lgt/src/julia-1.11/activate_set.jl:12 │ [5] activate(pkg::String) │ @ TestEnv ~/.julia/packages/TestEnv/i9lgt/src/julia-1.11/activate_set.jl:9 │ [6] top-level scope │ @ /PkgEval.jl/scripts/precompile.jl:24 │ [7] include(mod::Module, _path::String) │ @ Base ./Base.jl:309 │ [8] exec_options(opts::Base.JLOptions) │ @ Base ./client.jl:344 │ [9] _start() │ @ Base ./client.jl:577 └ @ Main /PkgEval.jl/scripts/precompile.jl:26 Precompiling package dependencies... Precompiling packages... 4139.6 ms ✓ MacroTools 1459.2 ms ✓ TestItems 1856.4 ms ✓ InlineStrings 775.8 ms ✓ Reexport 1495.2 ms ✓ Statistics 1312.7 ms ✓ DataAPI 1144.0 ms ✓ ConstructionBase 2041.1 ms ✓ IrrationalConstants 791.3 ms ✓ UnPack 1461.3 ms ✓ StaticArraysCore 843.9 ms ✓ StatsAPI 1675.7 ms ✓ ChunkSplitters 1881.5 ms ✓ Requires 1399.1 ms ✓ OrderedCollections 2624.7 ms ✓ Format 1394.6 ms ✓ ADTypes 1081.3 ms ✓ DocStringExtensions 1633.3 ms ✓ OffsetArrays 2071.6 ms ✓ FillArrays 785.3 ms ✓ PtrArrays 823.8 ms ✓ LaTeXStrings 1220.7 ms ✓ SuiteSparse 984.1 ms ✓ NaNMath 963.0 ms ✓ DelimitedFiles 2033.5 ms ✓ ProgressMeter 31693.9 ms ✓ Unitful 1116.4 ms ✓ Compat 1087.4 ms ✓ Preferences 1588.0 ms ✓ CommonSubexpressions 1330.3 ms ✓ Statistics → SparseArraysExt 933.3 ms ✓ Missings 744.8 ms ✓ ConstructionBase → ConstructionBaseLinearAlgebraExt 1462.3 ms ✓ DiffResults 1444.5 ms ✓ Adapt 933.0 ms ✓ Parameters 2978.2 ms ✓ DataStructures 1948.5 ms ✓ DifferentiationInterface 782.9 ms ✓ ADTypes → ADTypesConstructionBaseExt 1371.5 ms ✓ LogExpFunctions 1472.0 ms ✓ FillArrays → FillArraysSparseArraysExt 829.1 ms ✓ FillArrays → FillArraysStatisticsExt 902.0 ms ✓ AliasTables 1741.4 ms ✓ PDMats 2396.7 ms ✓ Unitful → PrintfExt 1512.1 ms ✓ Unitful → ConstructionBaseUnitfulExt 992.0 ms ✓ Compat → CompatLinearAlgebraExt 1216.0 ms ✓ JLLWrappers 939.2 ms ✓ PrecompileTools 2893.2 ms ✓ Setfield 1127.2 ms ✓ ArrayInterface 1212.9 ms ✓ Adapt → AdaptSparseArraysExt 779.7 ms ✓ OffsetArrays → OffsetArraysAdaptExt 1046.1 ms ✓ SortingAlgorithms 2309.4 ms ✓ QuadGK 1491.5 ms ✓ DifferentiationInterface → DifferentiationInterfaceSparseArraysExt 1392.7 ms ✓ FillArrays → FillArraysPDMatsExt 8561.6 ms ✓ UnitfulAtomic 5866.2 ms ✓ PeriodicTable 1545.2 ms ✓ Chemfiles_jll 1345.2 ms ✓ STRIDE_jll 1339.1 ms ✓ DSSP_jll 1320.9 ms ✓ Rmath_jll 1220.1 ms ✓ OpenSpecFun_jll 1331.4 ms ✓ MDLovoFit_jll 12906.6 ms ✓ StaticArrays 16310.7 ms ✓ SIMD 728.9 ms ✓ ArrayInterface → ArrayInterfaceStaticArraysCoreExt 1283.3 ms ✓ ArrayInterface → ArrayInterfaceSparseArraysExt 4417.4 ms ✓ StatsBase 1524.8 ms ✓ ProteinSecondaryStructures 1457.7 ms ✓ Rmath 4846.7 ms ✓ SpecialFunctions 1362.8 ms ✓ StaticArrays → StaticArraysStatisticsExt 2330.8 ms ✓ ConstructionBase → ConstructionBaseStaticArraysExt 1521.9 ms ✓ Adapt → AdaptStaticArraysExt 1434.2 ms ✓ DifferentiationInterface → DifferentiationInterfaceStaticArraysExt 8631.6 ms ✓ MolSimToolkitShared 5822.4 ms ✓ AtomsBase 1209.1 ms ✓ FiniteDiff 1622.1 ms ✓ PDMats → StatsBaseExt 2989.4 ms ✓ HypergeometricFunctions 1552.0 ms ✓ DiffRules 24779.4 ms ✓ CellListMap 6739.6 ms ✓ Chemfiles 1225.2 ms ✓ FiniteDiff → FiniteDiffSparseArraysExt 1353.5 ms ✓ FiniteDiff → FiniteDiffStaticArraysExt 999.2 ms ✓ DifferentiationInterface → DifferentiationInterfaceFiniteDiffExt 2960.6 ms ✓ StatsFuns 6114.5 ms ✓ ForwardDiff 32245.6 ms ✓ PDBTools 9139.0 ms ✓ Distributions 2071.9 ms ✓ ForwardDiff → ForwardDiffStaticArraysExt 2524.5 ms ✓ Unitful → ForwardDiffExt 1497.6 ms ✓ DifferentiationInterface → DifferentiationInterfaceForwardDiffExt 2452.8 ms ✓ NLSolversBase 3671.2 ms ✓ LsqFit 6560.4 ms ✓ EasyFit 14630.8 ms ✓ MolSimToolkit 98 dependencies successfully precompiled in 325 seconds. 28 already precompiled. Precompilation completed after 331.15s ################################################################################ # Testing # Testing MolSimToolkit Status `/tmp/jl_ZN9ikH/Project.toml` [4c88cf16] Aqua v0.8.14 [6e4b80f9] BenchmarkTools v1.6.3 [69e1c6dd] CellListMap v0.9.14 [46823bd8] Chemfiles v0.10.43 [ae650224] ChunkSplitters v3.1.2 [8bb1440f] DelimitedFiles v1.9.1 [ffbed154] DocStringExtensions v0.9.5 [e30172f5] Documenter v1.16.1 [fde71243] EasyFit v0.7.3 [b964fa9f] LaTeXStrings v1.4.0 [054db54f] MolSimToolkit v1.31.1 [aea21201] MolSimToolkitShared v1.2.1 [6fe1bfb0] OffsetArrays v1.17.0 [bac558e1] OrderedCollections v1.8.1 [e29189f1] PDBTools v3.15.1 [91a5bcdd] Plots v1.41.2 [92933f4c] ProgressMeter v1.11.0 [c298f58b] ProteinSecondaryStructures v2.0.3 [189a3867] Reexport v1.2.2 [6038ab10] Rotations v1.7.1 [aed2ae9c] ShowMethodTesting v1.3.0 [90137ffa] StaticArrays v1.9.15 [10745b16] Statistics v1.11.1 [2913bbd2] StatsBase v0.34.8 [f8b46487] TestItemRunner v1.1.1 [1c621080] TestItems v1.0.0 [d8780812] MDLovoFit_jll v20.1.1+0 [ade2ca70] Dates v1.11.0 [37e2e46d] LinearAlgebra v1.13.0 [de0858da] Printf v1.11.0 [8dfed614] Test v1.11.0 Status `/tmp/jl_ZN9ikH/Manifest.toml` [47edcb42] ADTypes v1.19.0 [a4c015fc] ANSIColoredPrinters v0.0.1 [1520ce14] AbstractTrees v0.4.5 [79e6a3ab] Adapt v4.4.0 [66dad0bd] AliasTables v1.1.3 [4c88cf16] Aqua v0.8.14 [4fba245c] ArrayInterface v7.22.0 [a963bdd2] AtomsBase v0.5.2 [6e4b80f9] BenchmarkTools v1.6.3 [d1d4a3ce] BitFlags v0.1.9 [69e1c6dd] CellListMap v0.9.14 [46823bd8] Chemfiles v0.10.43 [ae650224] ChunkSplitters v3.1.2 [944b1d66] CodecZlib v0.7.8 [35d6a980] ColorSchemes v3.31.0 [3da002f7] ColorTypes v0.12.1 [c3611d14] ColorVectorSpace v0.11.0 [5ae59095] Colors v0.13.1 [bbf7d656] CommonSubexpressions v0.3.1 [34da2185] Compat v4.18.1 [f0e56b4a] ConcurrentUtilities v2.5.0 [187b0558] ConstructionBase v1.6.0 [d38c429a] Contour v0.6.3 [9a962f9c] DataAPI v1.16.0 [864edb3b] DataStructures v0.19.3 [8bb1440f] DelimitedFiles v1.9.1 [163ba53b] DiffResults v1.1.0 [b552c78f] DiffRules v1.15.1 [a0c0ee7d] DifferentiationInterface v0.7.12 [31c24e10] Distributions v0.25.122 [ffbed154] DocStringExtensions v0.9.5 [e30172f5] Documenter v1.16.1 [fde71243] EasyFit v0.7.3 [460bff9d] ExceptionUnwrapping v0.1.11 [c87230d0] FFMPEG v0.4.5 [1a297f60] FillArrays v1.15.0 [6a86dc24] FiniteDiff v2.29.0 [53c48c17] FixedPointNumbers v0.8.5 [1fa38f19] Format v1.3.7 [f6369f11] ForwardDiff v1.3.0 [28b8d3ca] GR v0.73.19 [d7ba0133] Git v1.5.0 [42e2da0e] Grisu v1.0.2 [cd3eb016] HTTP v1.10.19 [34004b35] HypergeometricFunctions v0.3.28 [b5f81e59] IOCapture v1.0.0 [842dd82b] InlineStrings v1.4.5 [92d709cd] IrrationalConstants v0.2.6 [1019f520] JLFzf v0.1.11 [692b3bcd] JLLWrappers v1.7.1 [682c06a0] JSON v1.3.0 [b964fa9f] LaTeXStrings v1.4.0 [23fbe1c1] Latexify v0.16.10 [0e77f7df] LazilyInitializedFields v1.3.0 [2ab3a3ac] LogExpFunctions v0.3.29 [e6f89c97] LoggingExtras v1.2.0 [2fda8390] LsqFit v0.15.1 [1914dd2f] MacroTools v0.5.16 [d0879d2d] MarkdownAST v0.1.2 [739be429] MbedTLS v1.1.9 [442fdcdd] Measures v0.3.3 [e1d29d7a] Missings v1.2.0 [054db54f] MolSimToolkit v1.31.1 [aea21201] MolSimToolkitShared v1.2.1 [d41bc354] NLSolversBase v7.10.0 [77ba4419] NaNMath v1.1.3 [6fe1bfb0] OffsetArrays v1.17.0 [4d8831e6] OpenSSL v1.6.0 [bac558e1] OrderedCollections v1.8.1 [e29189f1] PDBTools v3.15.1 [90014a1f] PDMats v0.11.36 [d96e819e] Parameters v0.12.3 [69de0a69] Parsers v2.8.3 [7b2266bf] PeriodicTable v1.2.1 [ccf2f8ad] PlotThemes v3.3.0 [995b91a9] PlotUtils v1.4.4 [91a5bcdd] Plots v1.41.2 [aea7be01] PrecompileTools v1.3.3 [21216c6a] Preferences v1.5.0 [92933f4c] ProgressMeter v1.11.0 [c298f58b] ProteinSecondaryStructures v2.0.3 [43287f4e] PtrArrays v1.3.0 [1fd47b50] QuadGK v2.11.2 [94ee1d12] Quaternions v0.7.7 [c1ae055f] RealDot v0.1.0 [3cdcf5f2] RecipesBase v1.3.4 [01d81517] RecipesPipeline v0.6.12 [189a3867] Reexport v1.2.2 [2792f1a3] RegistryInstances v0.1.0 [05181044] RelocatableFolders v1.0.1 [ae029012] Requires v1.3.1 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Testing Running tests... block_averages: Error During Test at /home/pkgeval/.julia/packages/MolSimToolkit/59Rra/src/BlockAverages.jl:374 Test threw exception Expression: ≈(parse_show(block_average(sin.(range(0, 10; length = 100))); repl = Dict("MolSimToolkit." => "", "BlockAverages." => "")), "-------------------------------------------------------------------\nBlockAverageData{Float64}\n-------------------------------------------------------------------\nEstimated value (mean by default) = 0.17919314549243645\nLength of data series: 100\n\nBlock sizes: [1, 2, ..., 50, 100]\n\nMaximum standard error (error, block size): (0.2639324800874966, 20)\n\nDeviations in last 3 blocks:\n percentual: [-336.4364749304436, 20.95533359280619, 0.0] \n absolute: [-0.6028711020117342, 0.03755052141338261, 0.0] \n\nCharacteristic time of autocorrelation decay: \n as fraction of series length: 0.1261996015343501\n absolute: 12.619960153435008\n\nIntegrated tau: 18.807525484818207 - n_effective = 5.317020576721903\nWith n_effective: SEM: 0.2897251593116128\n-------------------------------------------------------------------\n", float_match = ((a, b)->begin #= /home/pkgeval/.julia/packages/MolSimToolkit/59Rra/src/BlockAverages.jl:398 =# isapprox(a, b; rtol = 0.1) end)) AssertionError: show method comparison failed for -7.667425035364687e6 (Float64) == 0.1261996015343501 (Float64) full parsed show strings: ShowMethodTesting.ParsedShow("------------------------------------------------------------------- BlockAverageData{Float 64 } ------------------------------------------------------------------- Estimated value (mean by default) = 0.17919314549243648 Length of data series: 100 Block sizes: [ 1 0.0 ] Characteristic time of autocorrelation decay: as fraction of series length: -7.667425035364687e6 absolute: -7.667425035364687e8 Integrated tau: 18.807525484818207 - n_effective = 5.317020576721903 With n_effective: SEM: 0.28972515931161286 -------------------------------------------------------------------", true, Dict("BlockAverages." => "", "MolSimToolkit." => "")) ShowMethodTesting.ParsedShow("------------------------------------------------------------------- BlockAverageData{Float 64 } ------------------------------------------------------------------- Estimated value (mean by default) = 0.17919314549243645 Length of data series: 100 Block sizes: [ 1 0.0 ] Characteristic time of autocorrelation decay: as fraction of series length: 0.1261996015343501 absolute: 12.619960153435008 Integrated tau: 18.807525484818207 - n_effective = 5.317020576721903 With n_effective: SEM: 0.2897251593116128 -------------------------------------------------------------------", true, Dict("BlockAverages." => "", "MolSimToolkit." => "")) Stacktrace: [1] (::ShowMethodTesting.var"#match#10"{Bool, ShowMethodTesting.ParsedShow, ShowMethodTesting.ParsedShow})(f::Main.var"##142".var"#2#3", x1::Float64, x2::Float64) @ ShowMethodTesting ~/.julia/packages/ShowMethodTesting/hXMh8/src/ShowMethodTesting.jl:139 [2] isapprox(x::ShowMethodTesting.ParsedShow, y::ShowMethodTesting.ParsedShow; float_match::Function, int_match::Function, path_match::Function, assertion_error::Bool) @ ShowMethodTesting ~/.julia/packages/ShowMethodTesting/hXMh8/src/ShowMethodTesting.jl:0 [3] isapprox @ ~/.julia/packages/ShowMethodTesting/hXMh8/src/ShowMethodTesting.jl:128 [inlined] [4] isapprox(x::ShowMethodTesting.ParsedShow, y::String; kargs::@Kwargs{float_match::Main.var"##142".var"#2#3"}) @ ShowMethodTesting ~/.julia/packages/ShowMethodTesting/hXMh8/src/ShowMethodTesting.jl:182 [5] kwcall(::@NamedTuple{float_match::Main.var"##142".var"#2#3"}, ::typeof(isapprox), x::ShowMethodTesting.ParsedShow, y::String) @ ShowMethodTesting ~/.julia/packages/ShowMethodTesting/hXMh8/src/ShowMethodTesting.jl:181 [6] eval_test_function(func::Any, args::Any, kwargs::Any, quoted_func::Union{Expr, Symbol}, source::LineNumberNode, negate::Bool) @ Test /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:394 [7] top-level scope @ ~/.julia/packages/MolSimToolkit/59Rra/src/BlockAverages.jl:539 [8] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:750 [inlined] ┌ Warning: Concentration units not provided, assuming molar fraction. └ @ MolSimToolkit.PackmolInputCreator ┌ Warning: Concentration units not provided, assuming molar fraction. └ @ MolSimToolkit.PackmolInputCreator ┌ Warning: Concentration units not provided, assuming molar fraction. └ @ MolSimToolkit.PackmolInputCreator ┌ Warning: Concentration units not provided, assuming molar fraction. └ @ MolSimToolkit.PackmolInputCreator input_concentration = 55.41278204007167 ┌ Warning: Density units not provided, assuming g/mL. └ @ MolSimToolkit.PackmolInputCreator ┌ Warning: Density units not provided, assuming g/mL. └ @ MolSimToolkit.PackmolInputCreator ┌ Warning: Concentration units not provided, assuming molar fraction. └ @ MolSimToolkit.PackmolInputCreator ================================================================== Summary: ================================================================== Target concentration = 0.0 mol/L (of cossolvent) = 0.0 molar fraction = 0.0 volume fraction = 0.0 mass fraction = 0.0 molecules/ų Box volume = 1728000 ų Solution volume = 1.7186586621204042e6 ų Solute extrema = [ -38.685, -24.895, -39.405, 38.685, 24.895, 39.405 ] Å Periodic box = [ -60.0, -60.0, -60.0, 60.0, 60.0, 60.0 ] Å Density of solution = 0.9981083631709006 g/mL Solute molar mass = 5612.80078125 g/mol Cossolvent molar mass = 46.069217681884766 g/mol Solvent molar mass = 18.01534080505371 g/mol Number of cossolvent (ethanol.pdb) molecules = 0 Number of solvent (water.pdb) molecules = 57322 Final cossolvent concentration = 0.0 mol/L = 0.0 molecules/ų Final solvent concentration = 55.403246265033665 mol/L = 0.033352754251550265 molecules/ų Final volume fraction = 0.0 Final molar fraction = 0.0 Cubic box requested: false ================================================================== Wrote file: /tmp/jl_rsrUPGvWpI ==================================================================================================================================== Summary: ================================================================== Target concentration = 13.48866825794416 mol/L (of cossolvent) = 0.5 molar fraction = 0.7635032032500105 volume fraction = 0.7188817208013449 mass fraction = 0.008120178291282384 molecules/ų Box volume = 1.677100110841e6 ų Solution volume = 1.6663141046243797e6 ų Solute extrema = [ -38.685, -24.895, -39.405, 38.685, 24.895, 39.405 ] Å Periodic box = [ -59.405, -59.405, -59.405, 59.405, 59.405, 59.405 ] Å Density of solution = 0.8644301955970958 g/mL Solute molar mass = 5612.80078125 g/mol Cossolvent molar mass = 46.069217681884766 g/mol Solvent molar mass = 18.01534080505371 g/mol Number of cossolvent (ethanol.pdb) molecules = 13531 Number of solvent (water.pdb) molecules = 13531 Final cossolvent concentration = 13.48889991608948 mol/L = 0.008120317749485868 molecules/ų Final solvent concentration = 13.48889991608948 mol/L = 0.008120317749485868 molecules/ų Final volume fraction = 0.7635032032500104 Final molar fraction = 0.5 Cubic box requested: true ================================================================== Wrote file: /tmp/jl_rsrUPGvWpI ==================================================================================================================================== Summary: ================================================================== Target concentration = 13.48866825794416 mol/L (of cossolvent) = 0.5 molar fraction = 0.7635032032500105 volume fraction = 0.7188817208013449 mass fraction = 0.008120178291282384 molecules/ų Box volume = 1.252097279763e6 ų Solution volume = 1.2413112735463798e6 ų Solute extrema = [ -38.685, -24.895, -39.405, 38.685, 24.895, 39.405 ] Å Periodic box = [ -58.685, -44.895, -59.405, 58.685, 44.895, 59.405 ] Å Density of solution = 0.864443748221353 g/mL Solute molar mass = 5612.80078125 g/mol Cossolvent molar mass = 46.069217681884766 g/mol Solvent molar mass = 18.01534080505371 g/mol Number of cossolvent (ethanol.pdb) molecules = 10080 Number of solvent (water.pdb) molecules = 10080 Final cossolvent concentration = 13.489111396430099 mol/L = 0.008120445060650919 molecules/ų Final solvent concentration = 13.489111396430099 mol/L = 0.008120445060650919 molecules/ų Final volume fraction = 0.7635032032500104 Final molar fraction = 0.5 Cubic box requested: false ================================================================== Wrote file: /tmp/jl_rsrUPGvWpI ==================================================================================================================================== Summary: ================================================================== Target concentration = 13.488667939471432 mol/L (of cossolvent) = 0.5006337383257492 molar fraction = 0.7639606242422451 volume fraction = 0.7193937274333789 mass fraction = 0.008120178099561802 molecules/ų Box volume = 1.252097279763e6 ų Solution volume = 1.241303591211778e6 ų Solute extrema = [ -38.685, -24.895, -39.405, 38.685, 24.895, 39.405 ] Å Periodic box = [ -58.685, -44.895, -59.405, 58.685, 44.895, 59.405 ] Å Density of solution = 0.8638222803895478 g/mL Solute molar mass = 5612.80078125 g/mol Cossolvent molar mass = 46.069217681884766 g/mol Solvent molar mass = 18.01534080505371 g/mol Number of cossolvent (ethanol.pdb) molecules = 10080 Number of solvent (water.pdb) molecules = 10054 Final cossolvent concentration = 13.489194879526385 mol/L = 0.008120495317474883 molecules/ų Final solvent concentration = 13.454401321305381 mol/L = 0.00809954959542584 molecules/ų Final volume fraction = 0.7639692333282783 Final molar fraction = 0.5006456739843052 Cubic box requested: false ================================================================== Wrote file: /tmp/jl_rsrUPGvWpI ==================================================================================================================================== Summary: ================================================================== Target concentration = 13.481292057726582 mol/L (of cossolvent) = 0.5000000237513037 molar fraction = 0.7635032204047275 volume fraction = 0.7188817400010237 mass fraction = 0.008115737818751403 molecules/ų Box volume = 1.252097279763e6 ų Solution volume = 1.2413053717658431e6 ų Solute extrema = [ -38.685, -24.895, -39.405, 38.685, 24.895, 39.405 ] Å Periodic box = [ -58.685, -44.895, -59.405, 58.685, 44.895, 59.405 ] Å Density of solution = 0.8639333059185208 g/mL Solute molar mass = 5612.80078125 g/mol Cossolvent molar mass = 46.069217681884766 g/mol Solvent molar mass = 18.01534080505371 g/mol Number of cossolvent (ethanol.pdb) molecules = 10074 Number of solvent (water.pdb) molecules = 10074 Final cossolvent concentration = 13.481146259197605 mol/L = 0.008115650048036958 molecules/ų Final solvent concentration = 13.481146259197605 mol/L = 0.008115650048036958 molecules/ų Final volume fraction = 0.7635032032500105 Final molar fraction = 0.5 Cubic box requested: false ================================================================== Wrote file: /tmp/jl_rsrUPGvWpI ==================================================================================================================================== Summary: ================================================================== Target concentration = 13.48254118915382 mol/L (of cossolvent) = 0.5000000237513037 molar fraction = 0.7635032204047276 volume fraction = 0.7188817400010237 mass fraction = 0.0081164897958706 molecules/ų Box volume = 1.252097279763e6 ų Solution volume = 1.2413063716152967e6 ų Solute extrema = [ -38.685, -24.895, -39.405, 38.685, 24.895, 39.405 ] Å Periodic box = [ -58.685, -44.895, -59.405, 58.685, 44.895, 59.405 ] Å Density of solution = 0.8640183686831472 g/mL Solute molar mass = 5612.80078125 g/mol Cossolvent molar mass = 46.069217681884766 g/mol Solvent molar mass = 18.01534080505371 g/mol Number of cossolvent (ethanol.pdb) molecules = 10075 Number of solvent (water.pdb) molecules = 10075 Final cossolvent concentration = 13.48247361116249 mol/L = 0.00811644911391982 molecules/ų Final solvent concentration = 13.48247361116249 mol/L = 0.00811644911391982 molecules/ų Final volume fraction = 0.7635032032500105 Final molar fraction = 0.5 Cubic box requested: false ================================================================== Wrote file: /tmp/jl_rsrUPGvWpI ==================================================================================================================================== Summary: ================================================================== Target concentration = 55.50824771072204 mol/L (of solvent ) = 0.033415965121854664 molecules/ų = 1.0 g/mL Box volume = 1.252097279763e6 ų Solution volume = 1.2427736904253755e6 ų Solute extrema = [ -38.685, -24.895, -39.405, 38.685, 24.895, 39.405 ] Å Periodic box = [ -58.685, -44.895, -59.405, 58.685, 44.895, 59.405 ] Å Solute molar mass = 5612.80078125 g/mol Solvent molar mass = 18.01534080505371 g/mol Number of solvent (water.pdb) molecules = 41528 Cubic box requested: false ================================================================== Wrote file: /tmp/jl_rsrUPGvWpI ==================================================================================================================================== Summary: ================================================================== Target concentration = 55.50824771072204 mol/L (of solvent ) = 0.033415965121854664 molecules/ų = 1.0 g/mL Box volume = 1.677100110841e6 ų Solution volume = 1.6677765215033754e6 ų Solute extrema = [ -38.685, -24.895, -39.405, 38.685, 24.895, 39.405 ] Å Periodic box = [ -59.405, -59.405, -59.405, 59.405, 59.405, 59.405 ] Å Solute molar mass = 5612.80078125 g/mol Solvent molar mass = 18.01534080505371 g/mol Number of solvent (water.pdb) molecules = 55730 Cubic box requested: true ================================================================== Wrote file: /tmp/jl_rsrUPGvWpI =============================================================================================================================== MolSimToolkit version: 1.31.1 Starting Coaraci managed submissions: 2025-11-27 19:36:54 ============================================================= Cluster type: MolSimToolkit.Coaraci.CLUSTER_INTERFACE_TEST JOB ID: 1.test Nodes: node1, node2, node3, node4, node5 Number of tasks per node: 1 ------------------------------------------------------------- Number of tasks to run: 2 ------------------------------------------------------------- 1: running A in node node1 (1 in this node) 2: running B in node node2 (1 in this node) > 3 nodes released. Keeping nodes: node1, node2 1: A in node node1 finished successfully after 513 milliseconds. 2: B in node node2 finished successfully after 692 milliseconds. > 1 nodes released. Keeping nodes: node2 ------------------------------------------------------------- finished all tasks: - tasks finished successfully: 2 - tasks finished with errors: 0 ============================================================= End Coaraci managed submissions: 2025-11-27 19:36:55 Total running time: 946 milliseconds ============================================================= ============================================================= MolSimToolkit version: 1.31.1 Starting Coaraci managed submissions: 2025-11-27 19:36:55 ============================================================= Cluster type: MolSimToolkit.Coaraci.CLUSTER_INTERFACE_TEST JOB ID: 1.test Nodes: node1, node2, node3, node4, node5 Number of tasks per node: 1 ------------------------------------------------------------- Number of tasks to run: 3 ------------------------------------------------------------- 1: running A in node node1 (1 in this node) 2: running B in node node2 (1 in this node) 3: running ERR in node node3 (1 in this node) > 2 nodes released. Keeping nodes: node1, node2, node3 1: A in node node1 finished successfully after 102 milliseconds. > 1 nodes released. Keeping nodes: node2, node3 2: B in node node2 finished successfully after 203 milliseconds. > 1 nodes released. Keeping nodes: node3 3: ERR in node node3 finished with errors after 304 milliseconds. ------------------------------------------------------------- finished all tasks: - tasks finished successfully: 2 - tasks finished with errors: 1 ============================================================= End Coaraci managed submissions: 2025-11-27 19:36:55 Total running time: 310 milliseconds ============================================================= ============================================================= MolSimToolkit version: 1.31.1 Starting Coaraci managed submissions: 2025-11-27 19:36:55 ============================================================= Cluster type: MolSimToolkit.Coaraci.CLUSTER_INTERFACE_TEST JOB ID: 1.test Nodes: node1, node2, node3, node4, node5 Number of tasks per node: 2 ------------------------------------------------------------- Number of tasks to run: 2 ------------------------------------------------------------- 1: running A in node node1 (1 in this node) 2: running B in node node1 (2 in this node) > 4 nodes released. Keeping nodes: node1 1: A in node node1 finished successfully after 103 milliseconds. 2: B in node node1 finished successfully after 203 milliseconds. ------------------------------------------------------------- finished all tasks: - tasks finished successfully: 2 - tasks finished with errors: 0 ============================================================= End Coaraci managed submissions: 2025-11-27 19:36:56 Total running time: 206 milliseconds ============================================================= ============================================================= MolSimToolkit version: 1.31.1 Starting Coaraci managed submissions: 2025-11-27 19:36:56 ============================================================= Cluster type: MolSimToolkit.Coaraci.CLUSTER_INTERFACE_TEST JOB ID: 1.test Nodes: node1, node2, node3, node4, node5 Number of tasks per node: 3 ------------------------------------------------------------- Number of tasks to run: 4 ------------------------------------------------------------- 1: running A in node node1 (1 in this node) 2: running B in node node1 (2 in this node) 3: running C in node node1 (3 in this node) 4: running D in node node2 (1 in this node) > 3 nodes released. Keeping nodes: node1, node2 1: A in node node1 finished successfully after 203 milliseconds. 2: B in node node1 finished successfully after 203 milliseconds. 3: C in node node1 finished successfully after 203 milliseconds. 4: D in node node2 finished successfully after 203 milliseconds. ------------------------------------------------------------- finished all tasks: - tasks finished successfully: 4 - tasks finished with errors: 0 ============================================================= End Coaraci managed submissions: 2025-11-27 19:36:56 Total running time: 208 milliseconds ============================================================= ============================================================= MolSimToolkit version: 1.31.1 Starting Coaraci managed submissions: 2025-11-27 19:36:56 ============================================================= Cluster type: MolSimToolkit.Coaraci.CLUSTER_INTERFACE_TEST JOB ID: 1.test Nodes: node1, node2, node3, node4, node5 Number of tasks per node: 3 ------------------------------------------------------------- A is finished: won't run. B is finished: won't run. C is finished: won't run. D is finished: won't run. Number of tasks to run: 0 ------------------------------------------------------------- ------------------------------------------------------------- finished all tasks: - tasks finished successfully: 4 - tasks finished with errors: 0 ============================================================= End Coaraci managed submissions: 2025-11-27 19:36:56 Total running time: 1 millisecond ============================================================= ============================================================= MolSimToolkit version: 1.31.1 Starting Coaraci managed submissions: 2025-11-27 19:36:56 ============================================================= Cluster type: MolSimToolkit.Coaraci.CLUSTER_INTERFACE_TEST JOB ID: 1.test Nodes: node1, node2, node3, node4, node5 Number of tasks per node: 1 ------------------------------------------------------------- Number of tasks to run: 26 ------------------------------------------------------------- 1: running A in node node1 (1 in this node) 2: running B in node node2 (1 in this node) 3: running C in node node3 (1 in this node) 4: running D in node node4 (1 in this node) 5: running E in node node5 (1 in this node) 2: B in node node2 finished successfully after 102 milliseconds. 4: D in node node4 finished successfully after 103 milliseconds. 6: running F in node node2 (1 in this node) 7: running G in node node4 (1 in this node) 6: F in node node2 finished successfully after 204 milliseconds. 8: running H in node node2 (1 in this node) 1: A in node node1 finished successfully after 303 milliseconds. 7: G in node node4 finished successfully after 304 milliseconds. 3: C in node node3 finished successfully after 304 milliseconds. 5: E in node node5 finished successfully after 304 milliseconds. 9: running I in node node1 (1 in this node) 10: running J in node node3 (1 in this node) 11: running K in node node4 (1 in this node) 12: running L in node node5 (1 in this node) 8: H in node node2 finished successfully after 406 milliseconds. 11: K in node node4 finished successfully after 407 milliseconds. 13: running M in node node2 (1 in this node) 14: running N in node node4 (1 in this node) 10: J in node node3 finished successfully after 506 milliseconds. 15: running O in node node3 (1 in this node) 9: I in node node1 finished successfully after 606 milliseconds. 12: L in node node5 finished successfully after 607 milliseconds. 16: running P in node node1 (1 in this node) 17: running Q in node node5 (1 in this node) 13: M in node node2 finished successfully after 608 milliseconds. 14: N in node node4 finished successfully after 609 milliseconds. 15: O in node node3 finished successfully after 609 milliseconds. 18: running R in node node2 (1 in this node) 19: running S in node node3 (1 in this node) 20: running T in node node4 (1 in this node) 16: P in node node1 finished successfully after 711 milliseconds. 17: Q in node node5 finished successfully after 711 milliseconds. 21: running U in node node1 (1 in this node) 22: running V in node node5 (1 in this node) 19: S in node node3 finished successfully after 811 milliseconds. 20: T in node node4 finished successfully after 811 milliseconds. 23: running W in node node3 (1 in this node) 24: running X in node node4 (1 in this node) 21: U in node node1 finished successfully after 813 milliseconds. 25: running Y in node node1 (1 in this node) 18: R in node node2 finished successfully after 912 milliseconds. 23: W in node node3 finished successfully after 912 milliseconds. 26: running Z in node node2 (1 in this node) > 1 nodes released. Keeping nodes: node5, node4, node1, node2 22: V in node node5 finished successfully after 1 second, 14 milliseconds. 25: Y in node node1 finished successfully after 1 second, 108 milliseconds. 24: X in node node4 finished successfully after 1 second, 114 milliseconds. 26: Z in node node2 finished successfully after 1 second, 114 milliseconds. ------------------------------------------------------------- finished all tasks: - tasks finished successfully: 26 - tasks finished with errors: 0 ============================================================= End Coaraci managed submissions: 2025-11-27 19:36:57 Total running time: 1 second, 160 milliseconds ============================================================= ============================================================= MolSimToolkit version: 1.31.1 Starting Coaraci managed submissions: 2025-11-27 19:36:57 ============================================================= Cluster type: MolSimToolkit.Coaraci.CLUSTER_INTERFACE_TEST JOB ID: 1.test Nodes: node1, node2, node3, node4, node5 Number of tasks per node: 3 ------------------------------------------------------------- Number of tasks to run: 26 ------------------------------------------------------------- 1: running A in node node1 (1 in this node) 2: running B in node node1 (2 in this node) 3: running C in node node1 (3 in this node) 4: running D in node node2 (1 in this node) 5: running E in node node2 (2 in this node) 6: running F in node node2 (3 in this node) 7: running G in node node3 (1 in this node) 8: running H in node node3 (2 in this node) 9: running I in node node3 (3 in this node) 10: running J in node node4 (1 in this node) 11: running K in node node4 (2 in this node) 12: running L in node node4 (3 in this node) 13: running M in node node5 (1 in this node) 14: running N in node node5 (2 in this node) 15: running O in node node5 (3 in this node) 2: B in node node1 finished successfully after 103 milliseconds. 4: D in node node2 finished successfully after 103 milliseconds. 6: F in node node2 finished successfully after 103 milliseconds. 11: K in node node4 finished successfully after 103 milliseconds. 15: O in node node5 finished successfully after 104 milliseconds. 16: running P in node node1 (3 in this node) 17: running Q in node node2 (2 in this node) 18: running R in node node2 (3 in this node) 19: running S in node node4 (3 in this node) 20: running T in node node5 (3 in this node) 7: G in node node3 finished successfully after 202 milliseconds. 8: H in node node3 finished successfully after 203 milliseconds. 10: J in node node4 finished successfully after 203 milliseconds. 13: M in node node5 finished successfully after 203 milliseconds. 14: N in node node5 finished successfully after 203 milliseconds. 21: running U in node node3 (3 in this node) 22: running V in node node3 (3 in this node) 23: running W in node node4 (3 in this node) 24: running X in node node5 (2 in this node) 25: running Y in node node5 (3 in this node) 16: P in node node1 finished successfully after 205 milliseconds. 17: Q in node node2 finished successfully after 205 milliseconds. 26: running Z in node node1 (3 in this node) 1: A in node node1 finished successfully after 303 milliseconds. 3: C in node node1 finished successfully after 303 milliseconds. 5: E in node node2 finished successfully after 303 milliseconds. 9: I in node node3 finished successfully after 304 milliseconds. 12: L in node node4 finished successfully after 304 milliseconds. 19: S in node node4 finished successfully after 306 milliseconds. 20: T in node node5 finished successfully after 306 milliseconds. 21: U in node node3 finished successfully after 306 milliseconds. 23: W in node node4 finished successfully after 306 milliseconds. > 1 nodes released. Keeping nodes: node1, node2, node3, node5 25: Y in node node5 finished successfully after 405 milliseconds. 18: R in node node2 finished successfully after 406 milliseconds. 26: Z in node node1 finished successfully after 407 milliseconds. > 2 nodes released. Keeping nodes: node3, node5 22: V in node node3 finished successfully after 507 milliseconds. 24: X in node node5 finished successfully after 507 milliseconds. ------------------------------------------------------------- finished all tasks: - tasks finished successfully: 26 - tasks finished with errors: 0 ============================================================= End Coaraci managed submissions: 2025-11-27 19:36:58 Total running time: 515 milliseconds ============================================================= ============================================================= MolSimToolkit version: 1.31.1 Starting Coaraci managed submissions: 2025-11-27 19:36:58 ============================================================= Cluster type: MolSimToolkit.Coaraci.CLUSTER_INTERFACE_TEST JOB ID: 1.test Nodes: node1, node2, node3, node4, node5 Number of tasks per node: 3 ------------------------------------------------------------- A is finished: won't run. B is finished: won't run. C is finished: won't run. D is finished: won't run. E is finished: won't run. F is finished: won't run. G is finished: won't run. H is finished: won't run. Number of tasks to run: 18 ------------------------------------------------------------- 1: running I in node node1 (1 in this node) 2: running J in node node1 (2 in this node) 3: running K in node node1 (3 in this node) 4: running L in node node2 (1 in this node) 5: running M in node node2 (2 in this node) 6: running N in node node2 (3 in this node) 7: running O in node node3 (1 in this node) 8: running P in node node3 (2 in this node) 9: running Q in node node3 (3 in this node) 10: running R in node node4 (1 in this node) 11: running S in node node4 (2 in this node) 12: running T in node node4 (3 in this node) 13: running U in node node5 (1 in this node) 14: running V in node node5 (2 in this node) 15: running W in node node5 (3 in this node) 3: K in node node1 finished successfully after 102 milliseconds. 7: O in node node3 finished successfully after 103 milliseconds. 8: P in node node3 finished successfully after 103 milliseconds. 9: Q in node node3 finished successfully after 103 milliseconds. 13: U in node node5 finished successfully after 103 milliseconds. 15: W in node node5 finished successfully after 104 milliseconds. 16: running X in node node1 (3 in this node) 17: running Y in node node3 (1 in this node) 18: running Z in node node3 (2 in this node) 2: J in node node1 finished successfully after 204 milliseconds. 5: M in node node2 finished successfully after 204 milliseconds. 6: N in node node2 finished successfully after 204 milliseconds. 11: S in node node4 finished successfully after 209 milliseconds. 12: T in node node4 finished successfully after 209 milliseconds. 1: I in node node1 finished successfully after 302 milliseconds. 4: L in node node2 finished successfully after 304 milliseconds. 10: R in node node4 finished successfully after 304 milliseconds. 14: V in node node5 finished successfully after 304 milliseconds. 17: Y in node node3 finished successfully after 306 milliseconds. 18: Z in node node3 finished successfully after 306 milliseconds. > 4 nodes released. Keeping nodes: node1 16: X in node node1 finished successfully after 406 milliseconds. ------------------------------------------------------------- finished all tasks: - tasks finished successfully: 26 - tasks finished with errors: 0 ============================================================= End Coaraci managed submissions: 2025-11-27 19:36:59 Total running time: 414 milliseconds ============================================================= ============================================================= MolSimToolkit version: 1.31.1 Starting Coaraci managed submissions: 2025-11-27 19:37:00 ============================================================= Cluster type: MolSimToolkit.Coaraci.CLUSTER_INTERFACE_TEST JOB ID: 1.test Nodes: node1, node2, node3, node4, node5 Number of tasks per node: 3 ------------------------------------------------------------- Number of tasks to run: 4 ------------------------------------------------------------- 1: running A in node node1 (1 in this node) 2: running B in node node1 (2 in this node) 3: running C in node node1 (3 in this node) 4: running D in node node2 (1 in this node) > 3 nodes released. Keeping nodes: node1, node2 1: A in node node1 finished successfully after 315 milliseconds. 2: B in node node1 finished successfully after 316 milliseconds. 3: C in node node1 finished successfully after 316 milliseconds. 4: D in node node2 finished successfully after 316 milliseconds. ------------------------------------------------------------- finished all tasks: - tasks finished successfully: 4 - tasks finished with errors: 0 ============================================================= End Coaraci managed submissions: 2025-11-27 19:37:01 Total running time: 320 milliseconds ============================================================= ERROR: LoadError: ParseError: # Error @ /home/pkgeval/.julia/packages/Unzip/BU542/src/Unzip.jl:144:18 function zip_missing(::Tuple{}, longer)  map(function (second_one) # └──────────┘ ── Invalid signature in function definition Stacktrace:  [1] top-level scope  @ ~/.julia/packages/Unzip/BU542/src/Unzip.jl:144  [2] include(mod::Module, _path::String)  @ Base ./Base.jl:309  [3] include_package_for_output(pkg::Base.PkgId, input::String, 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:3157  [4] top-level scope  @ stdin:5  [5] eval(m::Module, e::Any)  @ Core ./boot.jl:489  [6] include_string(mapexpr::typeof(identity), mod::Module, code::String, filename::String)  @ Base ./loading.jl:3003  [7] include_string  @ ./loading.jl:3013 [inlined]  [8] exec_options(opts::Base.JLOptions)  @ Base ./client.jl:342  [9] _start()  @ Base ./client.jl:577 in expression starting at /home/pkgeval/.julia/packages/Unzip/BU542/src/Unzip.jl:144 in expression starting at stdin:5 ERROR: LoadError: ParseError: # Error @ /home/pkgeval/.julia/packages/Unzip/BU542/src/Unzip.jl:144:18 function zip_missing(::Tuple{}, longer)  map(function (second_one) # └──────────┘ ── Invalid signature in function definition Stacktrace:  [1] top-level scope  @ ~/.julia/packages/Unzip/BU542/src/Unzip.jl:144  [2] include(mod::Module, _path::String)  @ Base ./Base.jl:309  [3] include_package_for_output(pkg::Base.PkgId, input::String, 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:3157  [4] top-level scope  @ stdin:5  [5] eval(m::Module, e::Any)  @ Core ./boot.jl:489  [6] include_string(mapexpr::typeof(identity), mod::Module, code::String, filename::String)  @ Base ./loading.jl:3003  [7] include_string  @ ./loading.jl:3013 [inlined]  [8] exec_options(opts::Base.JLOptions)  @ Base ./client.jl:342  [9] _start()  @ Base ./client.jl:577 in expression starting at /home/pkgeval/.julia/packages/Unzip/BU542/src/Unzip.jl:144 in expression starting at stdin:5 1 dependency had output during precompilation: ┌ Unzip │ [Output was shown above] └ ERROR: LoadError: The following 1 package failed to precompile: Unzip Failed to precompile Unzip [41fe7b60-77ed-43a1-b4f0-825fd5a5650d] to "/home/pkgeval/.julia/compiled/v1.14/Unzip/jl_rrqG5Z" (ProcessExited(1)). in expression starting at /home/pkgeval/.julia/packages/Plots/ywg93/src/Plots.jl:1 in expression starting at /home/pkgeval/.julia/packages/MolSimToolkit/59Rra/ext/SecondaryStructure.jl:20 in expression starting at /home/pkgeval/.julia/packages/MolSimToolkit/59Rra/test/runtests.jl:28 Testing failed after 318.29s ERROR: LoadError: Package MolSimToolkit 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:2946 [3] test @ /opt/julia/share/julia/stdlib/v1.14/Pkg/src/Operations.jl:2795 [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:572 [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:548 [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:219 [12] include(mod::Module, _path::String) @ Base ./Base.jl:309 [13] exec_options(opts::Base.JLOptions) @ Base ./client.jl:344 [14] _start() @ Base ./client.jl:577 in expression starting at /PkgEval.jl/scripts/evaluate.jl:210 PkgEval failed after 744.35s: package fails to precompile