Package evaluation to test MolSimToolkit on Julia 1.14.0-DEV.1455 (9d9110fde9*) started at 2026-01-04T21:08:18.545


################################################################################
# Set-up
#

Installing PkgEval dependencies (TestEnv)...
  Activating project at `~/.julia/environments/v1.14`

Set-up completed after 10.34s


################################################################################
# Installation
#

Installing MolSimToolkit...
   Resolving package versions...
   Installed Rmath_jll ────────────────── v0.5.1+0
   Installed DiffResults ──────────────── v1.1.0
   Installed MacroTools ───────────────── v0.5.16
   Installed FillArrays ───────────────── v1.15.0
   Installed DataStructures ───────────── v0.19.3
   Installed ForwardDiff ──────────────── v1.3.1
   Installed Adapt ────────────────────── v4.4.0
   Installed DelimitedFiles ───────────── v1.9.1
   Installed InlineStrings ────────────── v1.4.5
   Installed AtomsBase ────────────────── v0.5.2
   Installed HypergeometricFunctions ──── v0.3.28
   Installed ConstructionBase ─────────── v1.6.0
   Installed PeriodicTable ────────────── v1.2.1
   Installed CellListMap ──────────────── v0.9.15
   Installed Compat ───────────────────── v4.18.1
   Installed AliasTables ──────────────── v1.1.3
   Installed OrderedCollections ───────── v1.8.1
   Installed SIMD ─────────────────────── v3.7.2
   Installed ChunkSplitters ───────────── v3.1.2
   Installed ArrayInterface ───────────── v7.22.0
   Installed StatsBase ────────────────── v0.34.9
   Installed DataAPI ──────────────────── v1.16.0
   Installed StatsAPI ─────────────────── v1.8.0
   Installed LsqFit ───────────────────── v0.15.1
   Installed Statistics ───────────────── v1.11.1
   Installed CommonSubexpressions ─────── v0.3.1
   Installed OffsetArrays ─────────────── v1.17.0
   Installed PrecompileTools ──────────── v1.3.3
   Installed ProgressMeter ────────────── v1.11.0
   Installed IrrationalConstants ──────── v0.2.6
   Installed StaticArraysCore ─────────── v1.4.4
   Installed UnitfulAtomic ────────────── v1.0.0
   Installed StaticArrays ─────────────── v1.9.16
   Installed QuadGK ───────────────────── v2.11.2
   Installed NaNMath ──────────────────── v1.1.3
   Installed Requires ─────────────────── v1.3.1
   Installed OpenSpecFun_jll ──────────── v0.5.6+0
   Installed LogExpFunctions ──────────── v0.3.29
   Installed Chemfiles ────────────────── v0.10.43
   Installed DiffRules ────────────────── v1.15.1
   Installed STRIDE_jll ───────────────── v1.0.0+0
   Installed Rmath ────────────────────── v0.9.0
   Installed FiniteDiff ───────────────── v2.29.0
   Installed Distributions ────────────── v0.25.122
   Installed Parameters ───────────────── v0.12.3
   Installed PtrArrays ────────────────── v1.3.0
   Installed StatsFuns ────────────────── v1.5.2
   Installed NLSolversBase ────────────── v7.10.0
   Installed Unitful ──────────────────── v1.27.0
   Installed MolSimToolkitShared ──────── v1.2.1
   Installed Reexport ─────────────────── v1.2.2
   Installed Setfield ─────────────────── v1.1.2
   Installed Preferences ──────────────── v1.5.1
   Installed Missings ─────────────────── v1.2.0
   Installed SpecialFunctions ─────────── v2.6.1
   Installed JLLWrappers ──────────────── v1.7.1
   Installed TestItems ────────────────── v1.0.0
   Installed DSSP_jll ─────────────────── v4.4.0+1
   Installed LaTeXStrings ─────────────── v1.4.0
   Installed PDMats ───────────────────── v0.11.37
   Installed Format ───────────────────── v1.3.7
   Installed MDLovoFit_jll ────────────── v20.1.1+0
   Installed Chemfiles_jll ────────────── v0.10.4+0
   Installed SortingAlgorithms ────────── v1.2.2
   Installed UnPack ───────────────────── v1.0.2
   Installed ADTypes ──────────────────── v1.21.0
   Installed DocStringExtensions ──────── v0.9.5
   Installed EasyFit ──────────────────── v0.7.3
   Installed DifferentiationInterface ─── v0.7.13
   Installed ProteinSecondaryStructures ─ v2.0.3
   Installed MolSimToolkit ────────────── v1.31.1
   Installed PDBTools ─────────────────── v3.18.0
  Installing 6 artifacts
   Installed artifact Rmath       121.9 KiB
   Installed artifact OpenSpecFun 194.9 KiB
   Installed artifact STRIDE      353.3 KiB
   Installed artifact MDLovoFit   28.1 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 v1.21.0
  [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 11.6s


################################################################################
# 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 13.17s



################################################################################
# Testing
#

     Testing MolSimToolkit
      Status `/tmp/jl_0puPea/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_0puPea/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 v1.6.0+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 v1.1.6+0
  [ec84b674] Xorg_libXrandr_jll v1.5.5+0
  [ea2f1a96] Xorg_libXrender_jll v0.9.12+0
  [c7cfdc94] Xorg_libxcb_jll v1.17.1+0
  [cc61e674] Xorg_libxkbfile_jll v1.1.3+0
  [e920d4aa] Xorg_xcb_util_cursor_jll v0.1.6+0
  [12413925] Xorg_xcb_util_image_jll v0.4.1+0
  [2def613f] Xorg_xcb_util_jll v0.4.1+0
  [975044d2] Xorg_xcb_util_keysyms_jll v0.4.1+0
  [0d47668e] Xorg_xcb_util_renderutil_jll v0.3.10+0
  [c22f9ab0] Xorg_xcb_util_wm_jll v0.4.2+0
  [35661453] Xorg_xkbcomp_jll v1.4.7+0
  [33bec58e] Xorg_xkeyboard_config_jll v2.44.0+0
  [c5fb5394] Xorg_xtrans_jll v1.6.0+0
  [35ca27e7] eudev_jll v3.2.14+0
  [214eeab7] fzf_jll v0.61.1+0
  [a4ae2306] libaom_jll v3.13.1+0
  [0ac62f75] libass_jll v0.17.4+0
  [1183f4f0] libdecor_jll v0.2.2+0
  [2db6ffa8] libevdev_jll v1.13.4+0
  [f638f0a6] libfdk_aac_jll v2.0.4+0
  [36db933b] libinput_jll v1.28.1+0
  [b53b4c65] libpng_jll v1.6.53+0
  [f27f6e37] libvorbis_jll v1.3.8+0
  [009596ad] mtdev_jll v1.1.7+0
⌅ [1270edf5] x264_jll v10164.0.1+0
  [dfaa095f] x265_jll v4.1.0+0
  [d8fb68d0] xkbcommon_jll 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: 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_anOL23GToT

====================================================================================================================================
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_anOL23GToT

====================================================================================================================================
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_anOL23GToT

====================================================================================================================================
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_anOL23GToT

====================================================================================================================================
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_anOL23GToT

====================================================================================================================================
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_anOL23GToT

====================================================================================================================================
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_anOL23GToT

====================================================================================================================================
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_anOL23GToT

===============================================================================================================================
MolSimToolkit version: 1.31.1
Starting Coaraci managed submissions: 2026-01-04 21:17:47
=============================================================
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 602 milliseconds.
2: B in node node2 finished successfully after 755 milliseconds.
> 1 nodes released. Keeping nodes: node2
-------------------------------------------------------------
finished all tasks:
 - tasks finished successfully: 2
 - tasks finished with errors: 0
=============================================================
End Coaraci managed submissions: 2026-01-04 21:17:48
Total running time: 971 milliseconds
=============================================================
=============================================================
MolSimToolkit version: 1.31.1
Starting Coaraci managed submissions: 2026-01-04 21:17:48
=============================================================
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: 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 104 milliseconds.
> 1 nodes released. Keeping nodes: node2, node3
2: B in node node2 finished successfully after 258 milliseconds.
3: ERR in node node3 finished with errors after 303 milliseconds.
-------------------------------------------------------------
finished all tasks:
 - tasks finished successfully: 2
 - tasks finished with errors: 1
=============================================================
End Coaraci managed submissions: 2026-01-04 21:17:48
Total running time: 309 milliseconds
=============================================================
=============================================================
MolSimToolkit version: 1.31.1
Starting Coaraci managed submissions: 2026-01-04 21:17:48
=============================================================
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: 2026-01-04 21:17:49
Total running time: 205 milliseconds
=============================================================
=============================================================
MolSimToolkit version: 1.31.1
Starting Coaraci managed submissions: 2026-01-04 21:17:49
=============================================================
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 202 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: 2026-01-04 21:17:49
Total running time: 206 milliseconds
=============================================================
=============================================================
MolSimToolkit version: 1.31.1
Starting Coaraci managed submissions: 2026-01-04 21:17:49
=============================================================
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: 2026-01-04 21:17:49
Total running time: 1 millisecond
=============================================================
=============================================================
MolSimToolkit version: 1.31.1
Starting Coaraci managed submissions: 2026-01-04 21:17:49
=============================================================
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: 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)
3: C in node node3 finished successfully after 105 milliseconds.
4: D in node node4 finished successfully after 105 milliseconds.
6: running F in node node3 (1 in this node)
7: running G in node node4 (1 in this node)
1: A in node node1 finished successfully after 231 milliseconds.
5: E in node node5 finished successfully after 231 milliseconds.
8: running H in node node1 (1 in this node)
9: running I in node node5 (1 in this node)
2: B in node node2 finished successfully after 306 milliseconds.
6: F in node node3 finished successfully after 306 milliseconds.
7: G in node node4 finished successfully after 306 milliseconds.
10: running J in node node2 (1 in this node)
11: running K in node node3 (1 in this node)
12: running L in node node4 (1 in this node)
8: H in node node1 finished successfully after 333 milliseconds.
9: I in node node5 finished successfully after 333 milliseconds.
13: running M in node node1 (1 in this node)
14: running N in node node5 (1 in this node)
10: J in node node2 finished successfully after 408 milliseconds.
15: running O in node node2 (1 in this node)
13: M in node node1 finished successfully after 434 milliseconds.
14: N in node node5 finished successfully after 435 milliseconds.
16: running P in node node1 (1 in this node)
17: running Q in node node5 (1 in this node)
12: L in node node4 finished successfully after 507 milliseconds.
18: running R in node node4 (1 in this node)
11: K in node node3 finished successfully after 609 milliseconds.
15: O in node node2 finished successfully after 611 milliseconds.
19: running S in node node3 (1 in this node)
20: running T in node node2 (1 in this node)
16: P in node node1 finished successfully after 672 milliseconds.
17: Q in node node5 finished successfully after 769 milliseconds.
21: running U in node node1 (1 in this node)
22: running V in node node5 (1 in this node)
18: R in node node4 finished successfully after 809 milliseconds.
23: running W in node node4 (1 in this node)
19: S in node node3 finished successfully after 813 milliseconds.
24: running X in node node3 (1 in this node)
20: T in node node2 finished successfully after 913 milliseconds.
25: running Y in node node2 (1 in this node)
24: X in node node3 finished successfully after 914 milliseconds.
26: running Z in node node3 (1 in this node)
21: U in node node1 finished successfully after 971 milliseconds.
22: V in node node5 finished successfully after 971 milliseconds.
23: W in node node4 finished successfully after 1 second, 11 milliseconds.
> 2 nodes released. Keeping nodes: node4, node2, node3
25: Y in node node2 finished successfully after 1 second, 115 milliseconds.
> 2 nodes released. Keeping nodes: node3
26: Z in node node3 finished successfully after 1 second, 217 milliseconds.
-------------------------------------------------------------
finished all tasks:
 - tasks finished successfully: 26
 - tasks finished with errors: 0
=============================================================
End Coaraci managed submissions: 2026-01-04 21:17:50
Total running time: 1 second, 262 milliseconds
=============================================================
=============================================================
MolSimToolkit version: 1.31.1
Starting Coaraci managed submissions: 2026-01-04 21:17:51
=============================================================
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)
3: C in node node1 finished successfully after 105 milliseconds.
4: D in node node2 finished successfully after 106 milliseconds.
8: H in node node3 finished successfully after 106 milliseconds.
9: I in node node3 finished successfully after 106 milliseconds.
10: J in node node4 finished successfully after 106 milliseconds.
13: M in node node5 finished successfully after 106 milliseconds.
14: N in node node5 finished successfully after 106 milliseconds.
16: running P in node node1 (3 in this node)
17: running Q in node node2 (3 in this node)
18: running R in node node3 (2 in this node)
19: running S in node node3 (3 in this node)
20: running T in node node4 (3 in this node)
21: running U in node node5 (2 in this node)
22: running V in node node5 (3 in this node)
1: A in node node1 finished successfully after 205 milliseconds.
23: running W in node node1 (3 in this node)
5: E in node node2 finished successfully after 207 milliseconds.
6: F in node node2 finished successfully after 207 milliseconds.
7: G in node node3 finished successfully after 207 milliseconds.
12: L in node node4 finished successfully after 207 milliseconds.
15: O in node node5 finished successfully after 207 milliseconds.
24: running X in node node2 (3 in this node)
25: running Y in node node2 (3 in this node)
26: running Z in node node3 (3 in this node)
2: B in node node1 finished successfully after 307 milliseconds.
11: K in node node4 finished successfully after 307 milliseconds.
16: P in node node1 finished successfully after 308 milliseconds.
17: Q in node node2 finished successfully after 309 milliseconds.
19: S in node node3 finished successfully after 309 milliseconds.
21: U in node node5 finished successfully after 309 milliseconds.
22: V in node node5 finished successfully after 309 milliseconds.
24: X in node node2 finished successfully after 309 milliseconds.
> 1 nodes released. Keeping nodes: node1, node2, node3, node4
23: W in node node1 finished successfully after 406 milliseconds.
25: Y in node node2 finished successfully after 408 milliseconds.
18: R in node node3 finished successfully after 410 milliseconds.
20: T in node node4 finished successfully after 410 milliseconds.
> 3 nodes released. Keeping nodes: node3
26: Z in node node3 finished successfully after 509 milliseconds.
-------------------------------------------------------------
finished all tasks:
 - tasks finished successfully: 26
 - tasks finished with errors: 0
=============================================================
End Coaraci managed submissions: 2026-01-04 21:17:51
Total running time: 514 milliseconds
=============================================================
=============================================================
MolSimToolkit version: 1.31.1
Starting Coaraci managed submissions: 2026-01-04 21:17:51
=============================================================
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)
1: I in node node1 finished successfully after 103 milliseconds.
2: J in node node1 finished successfully after 103 milliseconds.
5: M in node node2 finished successfully after 103 milliseconds.
6: N in node node2 finished successfully after 103 milliseconds.
16: running X in node node1 (3 in this node)
17: running Y in node node1 (3 in this node)
18: running Z in node node2 (2 in this node)
4: L in node node2 finished successfully after 202 milliseconds.
7: O in node node3 finished successfully after 202 milliseconds.
8: P in node node3 finished successfully after 203 milliseconds.
9: Q in node node3 finished successfully after 203 milliseconds.
11: S in node node4 finished successfully after 203 milliseconds.
13: U in node node5 finished successfully after 203 milliseconds.
14: V in node node5 finished successfully after 203 milliseconds.
15: W in node node5 finished successfully after 203 milliseconds.
16: X in node node1 finished successfully after 205 milliseconds.
> 2 nodes released. Keeping nodes: node1, node2, node4
3: K in node node1 finished successfully after 304 milliseconds.
10: R in node node4 finished successfully after 304 milliseconds.
12: T in node node4 finished successfully after 304 milliseconds.
17: Y in node node1 finished successfully after 306 milliseconds.
> 2 nodes released. Keeping nodes: node2
18: Z in node node2 finished successfully after 407 milliseconds.
-------------------------------------------------------------
finished all tasks:
 - tasks finished successfully: 26
 - tasks finished with errors: 0
=============================================================
End Coaraci managed submissions: 2026-01-04 21:17:52
Total running time: 411 milliseconds
=============================================================
=============================================================
MolSimToolkit version: 1.31.1
Starting Coaraci managed submissions: 2026-01-04 21:17:53
=============================================================
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 304 milliseconds.
2: B in node node1 finished successfully after 304 milliseconds.
3: C in node node1 finished successfully after 304 milliseconds.
4: D in node node2 finished successfully after 305 milliseconds.
-------------------------------------------------------------
finished all tasks:
 - tasks finished successfully: 4
 - tasks finished with errors: 0
=============================================================
End Coaraci managed submissions: 2026-01-04 21:17:53
Total running time: 306 milliseconds
=============================================================

Progress:  40%|████████████████▍                        |  ETA: 0:00:00
Progress: 100%|█████████████████████████████████████████| Time: 0:00:00
┌ Warning: 
│ 
│     `output_name` was not provided. Default names will be used.
│ 
└ @ MolSimToolkit

Progress:  40%|████████████████▍                        |  ETA: 0:00:06
Progress: 100%|█████████████████████████████████████████| Time: 0:00:04

Progress:  40%|████████████████▍                        |  ETA: 0:00:00
Progress: 100%|█████████████████████████████████████████| Time: 0:00:00

Progress:  40%|████████████████▍                        |  ETA: 0:00:02
Progress: 100%|█████████████████████████████████████████| Time: 0:00:01

Progress:  40%|████████████████▍                        |  ETA: 0:00:01
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
┌ 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  Total      Time
Package       |  384    384  20m53.7s
     Testing MolSimToolkit tests passed 

Testing completed after 1320.88s

PkgEval succeeded after 1416.07s