Package evaluation to test MolSimToolkit on Julia 1.14.0-DEV.1441 (812f3beb0a*) started at 2025-12-30T19:58:23.330 ################################################################################ # Set-up # Installing PkgEval dependencies (TestEnv)... Activating project at `~/.julia/environments/v1.14` Set-up completed after 8.72s ################################################################################ # Installation # Installing MolSimToolkit... Resolving package versions... Updating `~/.julia/environments/v1.14/Project.toml` [054db54f] + MolSimToolkit v1.31.1 Updating `~/.julia/environments/v1.14/Manifest.toml` [47edcb42] + ADTypes v1.21.0 [79e6a3ab] + Adapt v4.4.0 [66dad0bd] + AliasTables v1.1.3 [4fba245c] + ArrayInterface v7.22.0 [a963bdd2] + AtomsBase v0.5.2 [69e1c6dd] + CellListMap v0.9.15 [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 v0.7.13 [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 v1.3.1 [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 v3.18.0 [90014a1f] + PDMats v0.11.37 [d96e819e] + Parameters v0.12.3 [7b2266bf] + PeriodicTable v1.2.1 [aea7be01] + PrecompileTools v1.3.3 [21216c6a] + Preferences v1.5.1 [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 v1.9.16 [1e83bf80] + StaticArraysCore v1.4.4 [10745b16] + Statistics v1.11.1 [82ae8749] + StatsAPI v1.8.0 [2913bbd2] + StatsBase v0.34.9 [4c63d2b9] + StatsFuns v1.5.2 [1c621080] + TestItems v1.0.0 [3a884ed6] + UnPack v1.0.2 [1986cc42] + Unitful v1.27.0 [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 v1.13.0 [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 v2025.12.2 [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 5.04s ################################################################################ # Precompilation # ERROR: LoadError: MethodError: no method matching setindex!(::Base.ScopedValues.ScopedValue{IO}, ::Nothing) The function `setindex!` exists, but no method is defined for this combination of argument types. Stacktrace: [1] top-level scope @ /PkgEval.jl/scripts/precompile.jl:10 [2] include(mod::Module, _path::String) @ Base ./Base.jl:309 [3] exec_options(opts::Base.JLOptions) @ Base ./client.jl:344 [4] _start() @ Base ./client.jl:585 in expression starting at /PkgEval.jl/scripts/precompile.jl:6 caused by: MethodError: no method matching setindex!(::Base.ScopedValues.ScopedValue{IO}, ::Base.DevNull) The function `setindex!` exists, but no method is defined for this combination of argument types. Stacktrace: [1] top-level scope @ /PkgEval.jl/scripts/precompile.jl:7 [2] include(mod::Module, _path::String) @ Base ./Base.jl:309 [3] exec_options(opts::Base.JLOptions) @ Base ./client.jl:344 [4] _start() @ Base ./client.jl:585 Precompilation failed after 13.29s ################################################################################ # Testing # Testing MolSimToolkit Status `/tmp/jl_SpcB1z/Project.toml` [4c88cf16] Aqua v0.8.14 [6e4b80f9] BenchmarkTools v1.6.3 [69e1c6dd] CellListMap v0.9.15 [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 v3.18.0 [91a5bcdd] Plots v1.41.3 [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 v1.9.16 [10745b16] Statistics v1.11.1 [2913bbd2] StatsBase v0.34.9 [f8b46487] TestItemRunner v1.1.4 [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_SpcB1z/Manifest.toml` [47edcb42] ADTypes v1.21.0 [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 v0.9.15 [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 v0.7.13 [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 v1.3.1 [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 v1.6.1 [bac558e1] OrderedCollections v1.8.1 [e29189f1] PDBTools v3.18.0 [90014a1f] PDMats v0.11.37 [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 v1.41.3 [aea7be01] PrecompileTools v1.3.3 [21216c6a] Preferences v1.5.1 [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 [79098fc4] Rmath v0.9.0 [6038ab10] Rotations v1.7.1 [fdea26ae] SIMD v3.7.2 [6c6a2e73] Scratch v1.3.0 [efcf1570] Setfield v1.1.2 [aed2ae9c] ShowMethodTesting v1.3.0 [992d4aef] Showoff v1.0.3 [777ac1f9] SimpleBufferStream v1.2.0 [a2af1166] SortingAlgorithms v1.2.2 [276daf66] SpecialFunctions v2.6.1 [860ef19b] StableRNGs v1.0.4 [90137ffa] StaticArrays v1.9.16 [1e83bf80] StaticArraysCore v1.4.4 [10745b16] Statistics v1.11.1 [82ae8749] StatsAPI v1.8.0 [2913bbd2] StatsBase v0.34.9 [4c63d2b9] StatsFuns v1.5.2 [ec057cc2] StructUtils v2.6.0 [62fd8b95] TensorCore v0.1.1 [f8b46487] TestItemRunner v1.1.4 [1c621080] TestItems v1.0.0 [3bb67fe8] TranscodingStreams v0.11.3 [5c2747f8] URIs v1.6.1 [3a884ed6] UnPack v1.0.2 [1cfade01] UnicodeFun v0.4.1 [1986cc42] Unitful v1.27.0 [a7773ee8] UnitfulAtomic v1.0.0 [41fe7b60] Unzip v0.2.0 [6e34b625] Bzip2_jll v1.0.9+0 [83423d85] Cairo_jll v1.18.5+0 [78a364fa] Chemfiles_jll v0.10.4+0 [74334e00] DSSP_jll v4.4.0+1 [ee1fde0b] Dbus_jll v1.16.2+0 [2702e6a9] EpollShim_jll v0.0.20230411+1 [2e619515] Expat_jll v2.7.3+0 [b22a6f82] FFMPEG_jll v8.0.1+0 [a3f928ae] Fontconfig_jll v2.17.1+0 [d7e528f0] FreeType2_jll v2.13.4+0 [559328eb] FriBidi_jll v1.0.17+0 [0656b61e] GLFW_jll v3.4.1+0 [d2c73de3] GR_jll v0.73.19+1 [b0724c58] GettextRuntime_jll v0.22.4+0 [61579ee1] Ghostscript_jll v9.55.1+0 [020c3dae] Git_LFS_jll v3.7.0+0 [f8c6e375] Git_jll v2.52.0+0 [7746bdde] Glib_jll v2.86.2+0 [3b182d85] Graphite2_jll v1.3.15+0 [2e76f6c2] HarfBuzz_jll v8.5.1+0 [aacddb02] JpegTurbo_jll v3.1.4+0 [c1c5ebd0] LAME_jll v3.100.3+0 [88015f11] LERC_jll v4.0.1+0 [1d63c593] LLVMOpenMP_jll v18.1.8+0 [dd4b983a] LZO_jll v2.10.3+0 ⌅ [e9f186c6] Libffi_jll v3.4.7+0 [7e76a0d4] Libglvnd_jll v1.7.1+1 [94ce4f54] Libiconv_jll v1.18.0+0 [4b2f31a3] Libmount_jll v2.41.2+0 [89763e89] Libtiff_jll v4.7.2+0 [38a345b3] Libuuid_jll v2.41.2+0 [d8780812] MDLovoFit_jll v20.1.1+0 [c8ffd9c3] MbedTLS_jll v2.28.1010+0 [e7412a2a] Ogg_jll v1.3.6+0 [9bd350c2] OpenSSH_jll v10.2.1+0 [efe28fd5] OpenSpecFun_jll v0.5.6+0 [91d4177d] Opus_jll v1.5.2+0 [36c8627f] Pango_jll v1.57.0+0 ⌅ [30392449] Pixman_jll v0.44.2+0 [c0090381] Qt6Base_jll v6.8.2+2 [629bc702] Qt6Declarative_jll v6.8.2+1 [ce943373] Qt6ShaderTools_jll v6.8.2+1 [e99dba38] Qt6Wayland_jll v6.8.2+2 [f50d1b31] Rmath_jll v0.5.1+0 [850473c1] STRIDE_jll v1.0.0+0 [a44049a8] Vulkan_Loader_jll v1.3.243+0 [a2964d1f] Wayland_jll v1.24.0+0 [ffd25f8a] XZ_jll v5.8.2+0 [f67eecfb] Xorg_libICE_jll v1.1.2+0 [c834827a] Xorg_libSM_jll v1.2.6+0 [4f6342f7] Xorg_libX11_jll v1.8.12+0 [0c0b7dd1] Xorg_libXau_jll v1.0.13+0 [935fb764] Xorg_libXcursor_jll v1.2.4+0 [a3789734] Xorg_libXdmcp_jll v1.1.6+0 [1082639a] Xorg_libXext_jll v1.3.7+0 [d091e8ba] Xorg_libXfixes_jll v6.0.2+0 [a51aa0fd] Xorg_libXi_jll v1.8.3+0 [d1454406] Xorg_libXinerama_jll 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v1.13.0+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 v1.13.0 [b27032c2] LibCURL v1.0.0 [76f85450] LibGit2 v1.11.0 [8f399da3] Libdl v1.11.0 [37e2e46d] LinearAlgebra v1.13.0 [56ddb016] Logging v1.11.0 [d6f4376e] Markdown v1.11.0 [a63ad114] Mmap v1.11.0 [ca575930] NetworkOptions v1.3.0 [44cfe95a] Pkg v1.14.0 [de0858da] Printf v1.11.0 [9abbd945] Profile v1.11.0 [3fa0cd96] REPL 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 [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 v8.17.0+0 [e37daf67] LibGit2_jll v1.9.2+0 [29816b5a] LibSSH2_jll v1.11.3+1 [14a3606d] MozillaCACerts_jll v2025.12.2 [4536629a] OpenBLAS_jll v0.3.29+0 [05823500] OpenLibm_jll v0.8.7+0 [458c3c95] OpenSSL_jll v3.5.4+0 [efcefdf7] PCRE2_jll v10.47.0+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 [3f19e933] p7zip_jll v17.7.0+0 Info Packages marked with ⌅ have new versions available but compatibility constraints restrict them from upgrading. Testing Running tests... ┌ Warning: The call to compilecache failed to create a usable precompiled cache file for MolSimToolkit [054db54f-6694-444d-9bbb-e9ecdbfe77be] │ exception = Required dependency Base.PkgId(Base.UUID("6fe1bfb0-de20-5000-8ca7-80f57d26f881"), "OffsetArrays") failed to load from a cache file. └ @ Base loading.jl:2950 ┌ 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_5ghKzCfSDg ==================================================================================================================================== 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_5ghKzCfSDg ==================================================================================================================================== 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_5ghKzCfSDg ==================================================================================================================================== 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_5ghKzCfSDg ==================================================================================================================================== 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_5ghKzCfSDg ==================================================================================================================================== 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_5ghKzCfSDg ==================================================================================================================================== 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_5ghKzCfSDg ==================================================================================================================================== 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_5ghKzCfSDg =============================================================================================================================== MolSimToolkit version: 1.31.1 Starting Coaraci managed submissions: 2025-12-30 20:01:48 ============================================================= 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 461 milliseconds. 2: B in node node2 finished successfully after 614 milliseconds. > 1 nodes released. Keeping nodes: node2 ------------------------------------------------------------- finished all tasks: - tasks finished successfully: 2 - tasks finished with errors: 0 ============================================================= End Coaraci managed submissions: 2025-12-30 20:01:49 Total running time: 820 milliseconds ============================================================= ============================================================= MolSimToolkit version: 1.31.1 Starting Coaraci managed submissions: 2025-12-30 20:01:49 ============================================================= 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 202 milliseconds. > 1 nodes released. Keeping nodes: node3 3: ERR in node node3 finished with errors after 302 milliseconds. ------------------------------------------------------------- finished all tasks: - tasks finished successfully: 2 - tasks finished with errors: 1 ============================================================= End Coaraci managed submissions: 2025-12-30 20:01:49 Total running time: 309 milliseconds ============================================================= ============================================================= MolSimToolkit version: 1.31.1 Starting Coaraci managed submissions: 2025-12-30 20:01:49 ============================================================= 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 102 milliseconds. 2: B in node node1 finished successfully after 202 milliseconds. ------------------------------------------------------------- finished all tasks: - tasks finished successfully: 2 - tasks finished with errors: 0 ============================================================= End Coaraci managed submissions: 2025-12-30 20:01:49 Total running time: 207 milliseconds ============================================================= ============================================================= MolSimToolkit version: 1.31.1 Starting Coaraci managed submissions: 2025-12-30 20:01:50 ============================================================= 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 201 milliseconds. 2: B in node node1 finished successfully after 201 milliseconds. 3: C in node node1 finished successfully after 202 milliseconds. 4: D in node node2 finished successfully after 202 milliseconds. ------------------------------------------------------------- finished all tasks: - tasks finished successfully: 4 - tasks finished with errors: 0 ============================================================= End Coaraci managed submissions: 2025-12-30 20:01:50 Total running time: 204 milliseconds ============================================================= ============================================================= MolSimToolkit version: 1.31.1 Starting Coaraci managed submissions: 2025-12-30 20:01:50 ============================================================= 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: 2025-12-30 20:01:50 Total running time: 2 milliseconds ============================================================= ============================================================= MolSimToolkit version: 1.31.1 Starting Coaraci managed submissions: 2025-12-30 20:01:50 ============================================================= 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 202 milliseconds. 3: C in node node3 finished successfully after 202 milliseconds. 4: D in node node4 finished successfully after 202 milliseconds. 6: running F in node node2 (1 in this node) 7: running G in node node3 (1 in this node) 8: running H in node node4 (1 in this node) 1: A in node node1 finished successfully after 302 milliseconds. 5: E in node node5 finished successfully after 302 milliseconds. 9: running I in node node1 (1 in this node) 10: running J in node node5 (1 in this node) 8: H in node node4 finished successfully after 304 milliseconds. 11: running K in node node4 (1 in this node) 7: G in node node3 finished successfully after 405 milliseconds. 11: K in node node4 finished successfully after 405 milliseconds. 12: running L in node node3 (1 in this node) 13: running M in node node4 (1 in this node) 10: J in node node5 finished successfully after 505 milliseconds. 6: F in node node2 finished successfully after 505 milliseconds. 14: running N in node node5 (1 in this node) 15: running O in node node2 (1 in this node) 9: I in node node1 finished successfully after 606 milliseconds. 12: L in node node3 finished successfully after 606 milliseconds. 13: M in node node4 finished successfully after 606 milliseconds. 14: N in node node5 finished successfully after 607 milliseconds. 16: running P in node node1 (1 in this node) 17: running Q in node node3 (1 in this node) 18: running R in node node4 (1 in this node) 19: running S in node node5 (1 in this node) 15: O in node node2 finished successfully after 706 milliseconds. 20: running T in node node2 (1 in this node) 17: Q in node node3 finished successfully after 809 milliseconds. 18: R in node node4 finished successfully after 809 milliseconds. 19: S in node node5 finished successfully after 809 milliseconds. 21: running U in node node3 (1 in this node) 22: running V in node node4 (1 in this node) 23: running W in node node5 (1 in this node) 20: T in node node2 finished successfully after 907 milliseconds. 24: running X in node node2 (1 in this node) 16: P in node node1 finished successfully after 910 milliseconds. 25: running Y in node node1 (1 in this node) 21: U in node node3 finished successfully after 912 milliseconds. 22: V in node node4 finished successfully after 912 milliseconds. 26: running Z in node node3 (1 in this node) > 1 nodes released. Keeping nodes: node5, node2, node1, node3 24: X in node node2 finished successfully after 1 second, 10 milliseconds. 23: W in node node5 finished successfully after 1 second, 113 milliseconds. 26: Z in node node3 finished successfully after 1 second, 113 milliseconds. > 3 nodes released. Keeping nodes: node1 25: Y in node node1 finished successfully after 1 second, 213 milliseconds. ------------------------------------------------------------- finished all tasks: - tasks finished successfully: 26 - tasks finished with errors: 0 ============================================================= End Coaraci managed submissions: 2025-12-30 20:01:51 Total running time: 1 second, 256 milliseconds ============================================================= ============================================================= MolSimToolkit version: 1.31.1 Starting Coaraci managed submissions: 2025-12-30 20:01:51 ============================================================= 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) 8: H in node node3 finished successfully after 103 milliseconds. 11: K in node node4 finished successfully after 103 milliseconds. 14: N in node node5 finished successfully after 103 milliseconds. 16: running P in node node3 (3 in this node) 17: running Q in node node4 (3 in this node) 18: running R in node node5 (3 in this node) 2: B in node node1 finished successfully after 202 milliseconds. 3: C in node node1 finished successfully after 202 milliseconds. 4: D in node node2 finished successfully after 203 milliseconds. 7: G in node node3 finished successfully after 203 milliseconds. 10: J in node node4 finished successfully after 203 milliseconds. 12: L in node node4 finished successfully after 203 milliseconds. 13: M in node node5 finished successfully after 203 milliseconds. 15: O in node node5 finished successfully after 203 milliseconds. 19: running S in node node1 (3 in this node) 20: running T in node node1 (3 in this node) 21: running U in node node2 (3 in this node) 22: running V in node node3 (3 in this node) 23: running W in node node4 (2 in this node) 24: running X in node node4 (3 in this node) 25: running Y in node node5 (2 in this node) 26: running Z in node node5 (3 in this node) 1: A in node node1 finished successfully after 303 milliseconds. 5: E in node node2 finished successfully after 304 milliseconds. 6: F in node node2 finished successfully after 304 milliseconds. 9: I in node node3 finished successfully after 304 milliseconds. 17: Q in node node4 finished successfully after 305 milliseconds. 18: R in node node5 finished successfully after 305 milliseconds. 21: U in node node2 finished successfully after 306 milliseconds. 22: V in node node3 finished successfully after 306 milliseconds. 24: X in node node4 finished successfully after 306 milliseconds. > 1 nodes released. Keeping nodes: node1, node3, node4, node5 19: S in node node1 finished successfully after 406 milliseconds. 16: P in node node3 finished successfully after 406 milliseconds. 20: T in node node1 finished successfully after 406 milliseconds. 26: Z in node node5 finished successfully after 406 milliseconds. > 2 nodes released. Keeping nodes: node4, node5 23: W in node node4 finished successfully after 521 milliseconds. 25: Y in node node5 finished successfully after 524 milliseconds. ------------------------------------------------------------- finished all tasks: - tasks finished successfully: 26 - tasks finished with errors: 0 ============================================================= End Coaraci managed submissions: 2025-12-30 20:01:52 Total running time: 576 milliseconds ============================================================= ============================================================= MolSimToolkit version: 1.31.1 Starting Coaraci managed submissions: 2025-12-30 20:01:52 ============================================================= 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 103 milliseconds. 6: N in node node2 finished successfully after 103 milliseconds. 13: U in node node5 finished successfully after 103 milliseconds. 14: V in node node5 finished successfully after 103 milliseconds. 16: running X in node node1 (3 in this node) 17: running Y in node node2 (3 in this node) 18: running Z in node node5 (2 in this node) 2: J in node node1 finished successfully after 253 milliseconds. 16: X in node node1 finished successfully after 288 milliseconds. 4: L in node node2 finished successfully after 254 milliseconds. 5: M in node node2 finished successfully after 254 milliseconds. 7: O in node node3 finished successfully after 254 milliseconds. 9: Q in node node3 finished successfully after 254 milliseconds. 10: R in node node4 finished successfully after 254 milliseconds. 11: S in node node4 finished successfully after 260 milliseconds. 12: T in node node4 finished successfully after 264 milliseconds. 1: I in node node1 finished successfully after 304 milliseconds. 8: P in node node3 finished successfully after 304 milliseconds. 15: W in node node5 finished successfully after 304 milliseconds. 18: Z in node node5 finished successfully after 305 milliseconds. > 4 nodes released. Keeping nodes: node2 17: Y in node node2 finished successfully after 406 milliseconds. ------------------------------------------------------------- finished all tasks: - tasks finished successfully: 26 - tasks finished with errors: 0 ============================================================= End Coaraci managed submissions: 2025-12-30 20:01:53 Total running time: 443 milliseconds ============================================================= ============================================================= MolSimToolkit version: 1.31.1 Starting Coaraci managed submissions: 2025-12-30 20:01:54 ============================================================= 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 314 milliseconds. 2: B in node node1 finished successfully after 314 milliseconds. 3: C in node node1 finished successfully after 314 milliseconds. 4: D in node node2 finished successfully after 324 milliseconds. ------------------------------------------------------------- finished all tasks: - tasks finished successfully: 4 - tasks finished with errors: 0 ============================================================= End Coaraci managed submissions: 2025-12-30 20:01:54 Total running time: 386 milliseconds ============================================================= ERROR: LoadError: Precompiled image Base.PkgId(Base.UUID("054db54f-6694-444d-9bbb-e9ecdbfe77be"), "MolSimToolkit") not available with flags CacheFlags(; use_pkgimages=false, debug_level=1, check_bounds=0, inline=true, opt_level=0) Stacktrace:  [1] error(s::String)  @ Base ./error.jl:44  [2] __require_prelocked(pkg::Base.PkgId, env::String)  @ Base ./loading.jl:2873  [3] _require_prelocked(uuidkey::Base.PkgId, env::String)  @ Base ./loading.jl:2725  [4] macro expansion  @ ./loading.jl:2653 [inlined]  [5] macro expansion  @ ./lock.jl:376 [inlined]  [6] __require(into::Module, mod::Symbol)  @ Base ./loading.jl:2617  [7] require  @ ./loading.jl:2593 [inlined]  [8] eval_import_path  @ ./module.jl:36 [inlined]  [9] eval_import_path_all(at::Module, path::Expr, keyword::String)  @ Base ./module.jl:60  [10] _eval_using  @ ./module.jl:137 [inlined]  [11] _eval_using(to::Module, path::Expr)  @ Base ./module.jl:137  [12] top-level scope  @ ~/.julia/packages/MolSimToolkit/59Rra/ext/Plotting.jl:3  [13] include(mod::Module, _path::String)  @ Base ./Base.jl:309  [14] 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:3309  [15] top-level scope  @ stdin:5  [16] eval(m::Module, e::Any)  @ Core ./boot.jl:489  [17] include_string(mapexpr::typeof(identity), mod::Module, code::String, filename::String)  @ Base ./loading.jl:3151  [18] include_string  @ ./loading.jl:3161 [inlined]  [19] exec_options(opts::Base.JLOptions)  @ Base ./client.jl:342  [20] _start()  @ Base ./client.jl:585 in expression starting at /home/pkgeval/.julia/packages/MolSimToolkit/59Rra/ext/Plotting.jl:1 in expression starting at stdin:5 ERROR: LoadError: Precompiled image Base.PkgId(Base.UUID("054db54f-6694-444d-9bbb-e9ecdbfe77be"), "MolSimToolkit") not available with flags CacheFlags(; use_pkgimages=false, debug_level=1, check_bounds=0, inline=true, opt_level=0) Stacktrace:  [1] error(s::String)  @ Base ./error.jl:44  [2] __require_prelocked(pkg::Base.PkgId, env::String)  @ Base ./loading.jl:2873  [3] _require_prelocked(uuidkey::Base.PkgId, env::String)  @ Base ./loading.jl:2725  [4] macro expansion  @ ./loading.jl:2653 [inlined]  [5] macro expansion  @ ./lock.jl:376 [inlined]  [6] __require(into::Module, mod::Symbol)  @ Base ./loading.jl:2617  [7] require  @ ./loading.jl:2593 [inlined]  [8] eval_import_path  @ ./module.jl:36 [inlined]  [9] eval_import_path_all(at::Module, path::Expr, keyword::String)  @ Base ./module.jl:60  [10] _eval_using  @ ./module.jl:137 [inlined]  [11] _eval_using(to::Module, path::Expr)  @ Base ./module.jl:137  [12] top-level scope  @ ~/.julia/packages/MolSimToolkit/59Rra/ext/Plotting.jl:3  [13] include(mod::Module, _path::String)  @ Base ./Base.jl:309  [14] 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:3309  [15] top-level scope  @ stdin:5  [16] eval(m::Module, e::Any)  @ Core ./boot.jl:489  [17] include_string(mapexpr::typeof(identity), mod::Module, code::String, filename::String)  @ Base ./loading.jl:3151  [18] include_string  @ ./loading.jl:3161 [inlined]  [19] exec_options(opts::Base.JLOptions)  @ Base ./client.jl:342  [20] _start()  @ Base ./client.jl:585 in expression starting at /home/pkgeval/.julia/packages/MolSimToolkit/59Rra/ext/Plotting.jl:1 in expression starting at stdin:5 1 dependency had output during precompilation: ┌ MolSimToolkit → Plotting │ [Output was shown above] └ ┌ Error: Error during loading of extension Plotting of MolSimToolkit, use `Base.retry_load_extensions()` to retry. │ exception = │ 1-element ExceptionStack: │ The following 1 package failed to precompile: │ │ MolSimToolkit → Plotting │ Failed to precompile Plotting [0ea1ae7b-86e4-5567-89cd-908a7383fe40] to "/home/pkgeval/.julia/compiled/v1.14/Plotting/jl_mA2XKF" (ProcessExited(1)). │ └ @ Base loading.jl:1781 ss_heatmap: Error During Test at /home/pkgeval/.julia/packages/MolSimToolkit/59Rra/ext/SecondaryStructure.jl:20 Got exception outside of a @test LoadError: ArgumentError: Could not execute ss_heatmap. This can have two reasons: - The Plots package is missing. Load it with `using Plots`. - The function was called with the wrong arguments. See the help entry for more information, with: `?ss_heatmap`. Stacktrace: [1] ss_heatmap(args::Matrix{Int64}; kargs::@Kwargs{scalex::Float64, xlabel::String}) @ MolSimToolkit ~/.julia/packages/MolSimToolkit/59Rra/src/secondary_structure/secondary_structure.jl:297 [2] kwcall(::@NamedTuple{scalex::Float64, xlabel::String}, ::typeof(MolSimToolkit.ss_heatmap), args::Matrix{Int64}) @ MolSimToolkit ~/.julia/packages/MolSimToolkit/59Rra/src/secondary_structure/secondary_structure.jl:296 [3] top-level scope @ ~/.julia/packages/MolSimToolkit/59Rra/ext/SecondaryStructure.jl:25 [4] eval(m::Module, e::Any) @ Core ./boot.jl:489 [5] include_string(mapexpr::typeof(identity), mod::Module, code::String, filename::String) @ Base ./loading.jl:3151 [6] include_string(m::Module, txt::String, fname::String) @ Base ./loading.jl:3161 [7] #run_testitem##6 @ ~/.julia/packages/TestItemRunner/ax5HJ/src/TestItemRunner.jl:119 [inlined] [8] withpath(f::TestItemRunner.var"#run_testitem##6#run_testitem##7"{String, String, Module}, path::String) @ TestItemRunner ~/.julia/packages/TestItemRunner/ax5HJ/src/vendored_code.jl:7 [9] #run_testitem##4 @ ~/.julia/packages/TestItemRunner/ax5HJ/src/TestItemRunner.jl:118 [inlined] [10] cd(f::TestItemRunner.var"#run_testitem##4#run_testitem##5"{String, String, Module}, dir::String) @ Base.Filesystem ./file.jl:112 [11] run_testitem(filepath::String, use_default_usings::Bool, setups::Vector{Symbol}, package_name::String, original_code::String, line::Int64, column::Int64, test_setup_module_set::TestItemRunner.TestSetupModuleSet, testsetups::Dict{Symbol, Any}) @ TestItemRunner ~/.julia/packages/TestItemRunner/ax5HJ/src/TestItemRunner.jl:117 [12] macro expansion @ ~/.julia/packages/TestItemRunner/ax5HJ/src/TestItemRunner.jl:276 [inlined] [13] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2130 [inlined] [14] macro expansion @ ~/.julia/packages/TestItemRunner/ax5HJ/src/TestItemRunner.jl:274 [inlined] [15] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2130 [inlined] [16] macro expansion @ ~/.julia/packages/TestItemRunner/ax5HJ/src/TestItemRunner.jl:252 [inlined] [17] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2130 [inlined] [18] run_tests(path::String; filter::Nothing, verbose::Bool) @ TestItemRunner ~/.julia/packages/TestItemRunner/ax5HJ/src/TestItemRunner.jl:249 [19] run_tests(path::String) @ TestItemRunner ~/.julia/packages/TestItemRunner/ax5HJ/src/TestItemRunner.jl:134 [20] top-level scope @ ~/.julia/packages/MolSimToolkit/59Rra/test/runtests.jl:28 [21] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:310 [22] top-level scope @ none:6 [23] eval(m::Module, e::Any) @ Core ./boot.jl:489 [24] exec_options(opts::Base.JLOptions) @ Base ./client.jl:310 [25] _start() @ Base ./client.jl:585 in expression starting at /home/pkgeval/.julia/packages/MolSimToolkit/59Rra/ext/SecondaryStructure.jl:25 Progress: 40%|████████████████▍ | ETA: 0:00:00 Progress: 100%|█████████████████████████████████████████| Time: 0:00:00 REMD: Error During Test at /home/pkgeval/.julia/packages/MolSimToolkit/59Rra/ext/REMD.jl:84 Got exception outside of a @test LoadError: Cannot convert MolSimToolkit.GromacsREMDlog to series data for plotting Stacktrace: [1] error(s::String) @ Base ./error.jl:44 [2] _prepare_series_data(x::MolSimToolkit.GromacsREMDlog) @ RecipesPipeline ~/.julia/packages/RecipesPipeline/BGM3l/src/series.jl:8 [3] _series_data_vector(x::MolSimToolkit.GromacsREMDlog, plotattributes::Dict{Symbol, Any}) @ RecipesPipeline ~/.julia/packages/RecipesPipeline/BGM3l/src/series.jl:36 [4] macro expansion @ ~/.julia/packages/RecipesPipeline/BGM3l/src/series.jl:129 [inlined] [5] apply_recipe(plotattributes::AbstractDict{Symbol, Any}, ::Type{RecipesPipeline.SliceIt}, x::Any, y::Any, z::Any) @ RecipesPipeline ~/.julia/packages/RecipesBase/BRe07/src/RecipesBase.jl:300 [6] _process_userrecipes!(plt::Any, plotattributes::Any, args::Any) @ RecipesPipeline ~/.julia/packages/RecipesPipeline/BGM3l/src/user_recipe.jl:38 [7] recipe_pipeline!(plt::Any, plotattributes::Any, args::Any) @ RecipesPipeline ~/.julia/packages/RecipesPipeline/BGM3l/src/RecipesPipeline.jl:72 [8] _plot!(plt::Plots.Plot, plotattributes::Any, args::Any) @ Plots ~/.julia/packages/Plots/pxXHF/src/plot.jl:223 [9] plot(args::Any; kw...) @ Plots ~/.julia/packages/Plots/pxXHF/src/plot.jl:102 [10] kwcall(::NamedTuple, ::typeof(RecipesBase.plot), args::Any) @ Plots ~/.julia/packages/Plots/pxXHF/src/plot.jl:93 [11] heatmap(args::Any; kw...) @ Plots ~/.julia/packages/RecipesBase/BRe07/src/RecipesBase.jl:427 [12] kwcall(::NamedTuple, ::typeof(Plots.heatmap), args::Any) @ Plots ~/.julia/packages/RecipesBase/BRe07/src/RecipesBase.jl:427 [13] top-level scope @ ~/.julia/packages/MolSimToolkit/59Rra/ext/REMD.jl:89 [14] eval(m::Module, e::Any) @ Core ./boot.jl:489 [15] include_string(mapexpr::typeof(identity), mod::Module, code::String, filename::String) @ Base ./loading.jl:3151 [16] include_string(m::Module, txt::String, fname::String) @ Base ./loading.jl:3161 [17] #run_testitem##6 @ ~/.julia/packages/TestItemRunner/ax5HJ/src/TestItemRunner.jl:119 [inlined] [18] withpath(f::TestItemRunner.var"#run_testitem##6#run_testitem##7"{String, String, Module}, path::String) @ TestItemRunner ~/.julia/packages/TestItemRunner/ax5HJ/src/vendored_code.jl:7 [19] #run_testitem##4 @ ~/.julia/packages/TestItemRunner/ax5HJ/src/TestItemRunner.jl:118 [inlined] [20] cd(f::TestItemRunner.var"#run_testitem##4#run_testitem##5"{String, String, Module}, dir::String) @ Base.Filesystem ./file.jl:112 [21] run_testitem(filepath::String, use_default_usings::Bool, setups::Vector{Symbol}, package_name::String, original_code::String, line::Int64, column::Int64, test_setup_module_set::TestItemRunner.TestSetupModuleSet, testsetups::Dict{Symbol, Any}) @ TestItemRunner ~/.julia/packages/TestItemRunner/ax5HJ/src/TestItemRunner.jl:117 [22] macro expansion @ ~/.julia/packages/TestItemRunner/ax5HJ/src/TestItemRunner.jl:276 [inlined] [23] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2130 [inlined] [24] macro expansion @ ~/.julia/packages/TestItemRunner/ax5HJ/src/TestItemRunner.jl:274 [inlined] [25] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2130 [inlined] [26] macro expansion @ ~/.julia/packages/TestItemRunner/ax5HJ/src/TestItemRunner.jl:252 [inlined] [27] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2130 [inlined] [28] run_tests(path::String; filter::Nothing, verbose::Bool) @ TestItemRunner ~/.julia/packages/TestItemRunner/ax5HJ/src/TestItemRunner.jl:249 [29] run_tests(path::String) @ TestItemRunner ~/.julia/packages/TestItemRunner/ax5HJ/src/TestItemRunner.jl:134 [30] top-level scope @ ~/.julia/packages/MolSimToolkit/59Rra/test/runtests.jl:28 [31] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:310 [32] top-level scope @ none:6 [33] eval(m::Module, e::Any) @ Core ./boot.jl:489 [34] exec_options(opts::Base.JLOptions) @ Base ./client.jl:310 [35] _start() @ Base ./client.jl:585 in expression starting at /home/pkgeval/.julia/packages/MolSimToolkit/59Rra/ext/REMD.jl:89 mdlovofit - plots: Error During Test at /home/pkgeval/.julia/packages/MolSimToolkit/59Rra/ext/MDLovoFit.jl:97 Got exception outside of a @test LoadError: Cannot convert MolSimToolkit.MapFractionsResult to series data for plotting Stacktrace: [1] error(s::String) @ Base ./error.jl:44 [2] _prepare_series_data(x::MolSimToolkit.MapFractionsResult) @ RecipesPipeline ~/.julia/packages/RecipesPipeline/BGM3l/src/series.jl:8 [3] _series_data_vector(x::MolSimToolkit.MapFractionsResult, plotattributes::Dict{Symbol, Any}) @ RecipesPipeline ~/.julia/packages/RecipesPipeline/BGM3l/src/series.jl:36 [4] macro expansion @ ~/.julia/packages/RecipesPipeline/BGM3l/src/series.jl:129 [inlined] [5] apply_recipe(plotattributes::AbstractDict{Symbol, Any}, ::Type{RecipesPipeline.SliceIt}, x::Any, y::Any, z::Any) @ RecipesPipeline ~/.julia/packages/RecipesBase/BRe07/src/RecipesBase.jl:300 [6] _process_userrecipes!(plt::Any, plotattributes::Any, args::Any) @ RecipesPipeline ~/.julia/packages/RecipesPipeline/BGM3l/src/user_recipe.jl:38 [7] recipe_pipeline!(plt::Any, plotattributes::Any, args::Any) @ RecipesPipeline ~/.julia/packages/RecipesPipeline/BGM3l/src/RecipesPipeline.jl:72 [8] _plot!(plt::Plots.Plot, plotattributes::Any, args::Any) @ Plots ~/.julia/packages/Plots/pxXHF/src/plot.jl:223 [9] #plot#150 @ ~/.julia/packages/Plots/pxXHF/src/plot.jl:102 [inlined] [10] plot(args::Any) @ Plots ~/.julia/packages/Plots/pxXHF/src/plot.jl:93 [11] top-level scope @ ~/.julia/packages/MolSimToolkit/59Rra/ext/MDLovoFit.jl:104 [12] eval(m::Module, e::Any) @ Core ./boot.jl:489 [13] include_string(mapexpr::typeof(identity), mod::Module, code::String, filename::String) @ Base ./loading.jl:3151 [14] include_string(m::Module, txt::String, fname::String) @ Base ./loading.jl:3161 [15] #run_testitem##6 @ ~/.julia/packages/TestItemRunner/ax5HJ/src/TestItemRunner.jl:119 [inlined] [16] withpath(f::TestItemRunner.var"#run_testitem##6#run_testitem##7"{String, String, Module}, path::String) @ TestItemRunner ~/.julia/packages/TestItemRunner/ax5HJ/src/vendored_code.jl:7 [17] #run_testitem##4 @ ~/.julia/packages/TestItemRunner/ax5HJ/src/TestItemRunner.jl:118 [inlined] [18] cd(f::TestItemRunner.var"#run_testitem##4#run_testitem##5"{String, String, Module}, dir::String) @ Base.Filesystem ./file.jl:112 [19] run_testitem(filepath::String, use_default_usings::Bool, setups::Vector{Symbol}, package_name::String, original_code::String, line::Int64, column::Int64, test_setup_module_set::TestItemRunner.TestSetupModuleSet, testsetups::Dict{Symbol, Any}) @ TestItemRunner ~/.julia/packages/TestItemRunner/ax5HJ/src/TestItemRunner.jl:117 [20] macro expansion @ ~/.julia/packages/TestItemRunner/ax5HJ/src/TestItemRunner.jl:276 [inlined] [21] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2130 [inlined] [22] macro expansion @ ~/.julia/packages/TestItemRunner/ax5HJ/src/TestItemRunner.jl:274 [inlined] [23] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2130 [inlined] [24] macro expansion @ ~/.julia/packages/TestItemRunner/ax5HJ/src/TestItemRunner.jl:252 [inlined] [25] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2130 [inlined] [26] run_tests(path::String; filter::Nothing, verbose::Bool) @ TestItemRunner ~/.julia/packages/TestItemRunner/ax5HJ/src/TestItemRunner.jl:249 [27] run_tests(path::String) @ TestItemRunner ~/.julia/packages/TestItemRunner/ax5HJ/src/TestItemRunner.jl:134 [28] top-level scope @ ~/.julia/packages/MolSimToolkit/59Rra/test/runtests.jl:28 [29] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:310 [30] top-level scope @ none:6 [31] eval(m::Module, e::Any) @ Core ./boot.jl:489 [32] exec_options(opts::Base.JLOptions) @ Base ./client.jl:310 [33] _start() @ Base ./client.jl:585 in expression starting at /home/pkgeval/.julia/packages/MolSimToolkit/59Rra/ext/MDLovoFit.jl:104 Progress: 40%|████████████████▍ | ETA: 0:00:05 Progress: 100%|█████████████████████████████████████████| Time: 0:00:03 Progress: 40%|████████████████▍ | ETA: 0:00:00 Progress: 100%|█████████████████████████████████████████| Time: 0:00:00 Progress: 40%|████████████████▍ | ETA: 0:00:01 Progress: 100%|█████████████████████████████████████████| Time: 0:00:00 Progress: 40%|████████████████▍ | ETA: 0:00:02 Progress: 60%|████████████████████████▋ | ETA: 0:00:01 Progress: 80%|████████████████████████████████▊ | ETA: 0:00:00 Progress: 100%|█████████████████████████████████████████| Time: 0:00:01 Progress: 40%|████████████████▍ | ETA: 0:00:03 Progress: 60%|████████████████████████▋ | ETA: 0:00:02 Progress: 80%|████████████████████████████████▊ | ETA: 0:00:01 Progress: 100%|█████████████████████████████████████████| Time: 0:00:04 Progress: 40%|████████████████▍ | ETA: 0:00:00 Progress: 60%|████████████████████████▋ | ETA: 0:00:00 Progress: 80%|████████████████████████████████▊ | ETA: 0:00:00 Progress: 100%|█████████████████████████████████████████| Time: 0:00:00 ┌ Warning: │ │ Running map_fractions depends on writting a temporary trajectory file with the selected frames. │ │ Since `maxframes` was not set, the number of frames considered will be 100. │ │ The considered frames will be sampled equally spaced from the simulation, as possible. The indices frames │ considered will be stored in the `frame_indices` field of the output data structure. │ │ To avoid this warning, set the `maxframes` parameter to the desired number of frames to be considered. │ Use `maxframes=length(simulation)` to consider all frames. │ └ @ MolSimToolkit ┌ Warning: │ │ Running map_fractions depends on writting a temporary trajectory file with the selected frames. │ │ Since `maxframes` was not set, the number of frames considered will be 100. │ │ The considered frames will be sampled equally spaced from the simulation, as possible. The indices frames │ considered will be stored in the `frame_indices` field of the output data structure. │ │ To avoid this warning, set the `maxframes` parameter to the desired number of frames to be considered. │ Use `maxframes=length(simulation)` to consider all frames. │ └ @ MolSimToolkit ┌ Warning: │ │ `output_name` was not provided. Default names will be used. │ └ @ MolSimToolkit ┌ Warning: │ │ `output_name` was not provided. Default names will be used. │ └ @ MolSimToolkit blockaverages plotting: Error During Test at /home/pkgeval/.julia/packages/MolSimToolkit/59Rra/ext/BlockAverages.jl:178 Got exception outside of a @test LoadError: Cannot convert MolSimToolkit.BlockAverages.BlockDistribution{10} to series data for plotting Stacktrace: [1] error(s::String) @ Base ./error.jl:44 [2] _prepare_series_data(x::MolSimToolkit.BlockAverages.BlockDistribution{10}) @ RecipesPipeline ~/.julia/packages/RecipesPipeline/BGM3l/src/series.jl:8 [3] _series_data_vector(x::MolSimToolkit.BlockAverages.BlockDistribution{10}, plotattributes::Dict{Symbol, Any}) @ RecipesPipeline ~/.julia/packages/RecipesPipeline/BGM3l/src/series.jl:36 [4] macro expansion @ ~/.julia/packages/RecipesPipeline/BGM3l/src/series.jl:129 [inlined] [5] apply_recipe(plotattributes::AbstractDict{Symbol, Any}, ::Type{RecipesPipeline.SliceIt}, x::Any, y::Any, z::Any) @ RecipesPipeline ~/.julia/packages/RecipesBase/BRe07/src/RecipesBase.jl:300 [6] _process_userrecipes!(plt::Any, plotattributes::Any, args::Any) @ RecipesPipeline ~/.julia/packages/RecipesPipeline/BGM3l/src/user_recipe.jl:38 [7] recipe_pipeline!(plt::Any, plotattributes::Any, args::Any) @ RecipesPipeline ~/.julia/packages/RecipesPipeline/BGM3l/src/RecipesPipeline.jl:72 [8] _plot!(plt::Plots.Plot, plotattributes::Any, args::Any) @ Plots ~/.julia/packages/Plots/pxXHF/src/plot.jl:223 [9] plot(args::Any; kw...) @ Plots ~/.julia/packages/Plots/pxXHF/src/plot.jl:102 [10] kwcall(::NamedTuple, ::typeof(RecipesBase.plot), args::Any) @ Plots ~/.julia/packages/Plots/pxXHF/src/plot.jl:93 [11] histogram(args::Any; kw...) @ Plots ~/.julia/packages/RecipesBase/BRe07/src/RecipesBase.jl:427 [12] top-level scope @ ~/.julia/packages/MolSimToolkit/59Rra/ext/BlockAverages.jl:182 [13] eval(m::Module, e::Any) @ Core ./boot.jl:489 [14] include_string(mapexpr::typeof(identity), mod::Module, code::String, filename::String) @ Base ./loading.jl:3151 [15] include_string(m::Module, txt::String, fname::String) @ Base ./loading.jl:3161 [16] #run_testitem##6 @ ~/.julia/packages/TestItemRunner/ax5HJ/src/TestItemRunner.jl:119 [inlined] [17] withpath(f::TestItemRunner.var"#run_testitem##6#run_testitem##7"{String, String, Module}, path::String) @ TestItemRunner ~/.julia/packages/TestItemRunner/ax5HJ/src/vendored_code.jl:7 [18] #run_testitem##4 @ ~/.julia/packages/TestItemRunner/ax5HJ/src/TestItemRunner.jl:118 [inlined] [19] cd(f::TestItemRunner.var"#run_testitem##4#run_testitem##5"{String, String, Module}, dir::String) @ Base.Filesystem ./file.jl:112 [20] run_testitem(filepath::String, use_default_usings::Bool, setups::Vector{Symbol}, package_name::String, original_code::String, line::Int64, column::Int64, test_setup_module_set::TestItemRunner.TestSetupModuleSet, testsetups::Dict{Symbol, Any}) @ TestItemRunner ~/.julia/packages/TestItemRunner/ax5HJ/src/TestItemRunner.jl:117 [21] macro expansion @ ~/.julia/packages/TestItemRunner/ax5HJ/src/TestItemRunner.jl:276 [inlined] [22] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2130 [inlined] [23] macro expansion @ ~/.julia/packages/TestItemRunner/ax5HJ/src/TestItemRunner.jl:274 [inlined] [24] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2130 [inlined] [25] macro expansion @ ~/.julia/packages/TestItemRunner/ax5HJ/src/TestItemRunner.jl:252 [inlined] [26] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2130 [inlined] [27] run_tests(path::String; filter::Nothing, verbose::Bool) @ TestItemRunner ~/.julia/packages/TestItemRunner/ax5HJ/src/TestItemRunner.jl:249 [28] run_tests(path::String) @ TestItemRunner ~/.julia/packages/TestItemRunner/ax5HJ/src/TestItemRunner.jl:134 [29] top-level scope @ ~/.julia/packages/MolSimToolkit/59Rra/test/runtests.jl:28 [30] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:310 [31] top-level scope @ none:6 [32] eval(m::Module, e::Any) @ Core ./boot.jl:489 [33] exec_options(opts::Base.JLOptions) @ Base ./client.jl:310 [34] _start() @ Base ./client.jl:585 in expression starting at /home/pkgeval/.julia/packages/MolSimToolkit/59Rra/ext/BlockAverages.jl:182 ┌ Warning: │ │ Unit cell vectors are zero. The trajectory file may not contain proper unit cell information. │ Wrapping of coordinates will be disabled for current frame. │ └ @ MolSimToolkit Test Summary: | Pass Error Total Time Package | 372 4 376 6m50.9s src/BlockAverages.jl | 4 4 1m33.5s src/PackmolInputCreator/test/runtests.jl | 146 146 12.0s src/MolecularMinimumDistances/MolecularMinimumDistances.jl | 4 4 0.1s src/miscellaneous_functions/distances.jl | 6 6 9.4s src/miscellaneous_functions/most_representative_structure.jl | 10 10 7.9s src/Coaraci/runtests.jl | 22 22 12.2s ext/SecondaryStructure.jl | 1 1 1m30.2s ss_heatmap | 1 1 1m30.2s src/MolecularMinimumDistances/SelfPairs.jl | 3 3 9.5s src/miscellaneous_functions/coordination_number.jl | 1 1 5.7s src/miscellaneous_functions/bulk_coordination.jl | 3 3 3.4s src/structural_alignment/standard.jl | 16 16 11.3s src/secondary_structure/secondary_structure.jl | 24 24 6.2s ext/REMD.jl | 2 1 3 4.2s REMD | 2 1 3 4.2s src/miscellaneous_functions/dihedrals.jl | 4 4 3.8s src/miscellaneous_functions/intermittent_correlation.jl | 11 11 4.0s ext/MDLovoFit.jl | 1 1 2.1s mdlovofit - plots | 1 1 2.1s src/MolecularMinimumDistances/CrossPairs.jl | 4 4 4.6s src/datastructures/Positions.jl | 10 10 10.9s src/hydrogen_bonds/hydrogen_bonds.jl | 10 10 23.6s src/structural_alignment/mdlovofit.jl | 29 29 14.5s src/gromacs/remd.jl | 13 13 0.3s src/MolecularMinimumDistances/AllPairs.jl | 6 6 1.7s src/miscellaneous_functions/center_of_mass.jl | 3 3 0.4s ext/BlockAverages.jl | 1 1 0.9s blockaverages plotting | 1 1 0.9s src/datastructures/Simulation.jl | 28 28 5.9s test/runtests.jl | 10 10 1m07.7s src/Reweighting/Reweighting.jl | 3 3 4.7s ERROR: LoadError: Some tests did not pass: 372 passed, 0 failed, 4 errored, 0 broken. in expression starting at /home/pkgeval/.julia/packages/MolSimToolkit/59Rra/test/runtests.jl:28 Testing failed after 445.04s 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:3067 [3] test @ /opt/julia/share/julia/stdlib/v1.14/Pkg/src/Operations.jl:2916 [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:237 [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:585 in expression starting at /PkgEval.jl/scripts/evaluate.jl:228 PkgEval failed after 505.78s: package fails to precompile