Package evaluation of MolSimToolkit on Julia 1.13.0-DEV.111 (ce76dbf07d*) started at 2025-02-28T03:36:06.695 ################################################################################ # Set-up # Installing PkgEval dependencies (TestEnv)... Set-up completed after 7.7s ################################################################################ # Installation # Installing MolSimToolkit... Resolving package versions... Installed MolSimToolkit ─ v1.25.3 Updating `~/.julia/environments/v1.13/Project.toml` [054db54f] + MolSimToolkit v1.25.3 Updating `~/.julia/environments/v1.13/Manifest.toml` [79e6a3ab] + Adapt v4.2.0 [66dad0bd] + AliasTables v1.1.3 [4fba245c] + ArrayInterface v7.18.0 [a963bdd2] + AtomsBase v0.5.1 [69e1c6dd] + CellListMap v0.9.8 [46823bd8] + Chemfiles v0.10.42 [ae650224] + ChunkSplitters v3.1.1 [bbf7d656] + CommonSubexpressions v0.3.1 [34da2185] + Compat v4.16.0 [187b0558] + ConstructionBase v1.5.8 [9a962f9c] + DataAPI v1.16.0 [864edb3b] + DataStructures v0.18.20 [163ba53b] + DiffResults v1.1.0 [b552c78f] + DiffRules v1.15.1 [31c24e10] + Distributions v0.25.117 [ffbed154] + DocStringExtensions v0.9.3 [fde71243] + EasyFit v0.6.8 [1a297f60] + FillArrays v1.13.0 [6a86dc24] + FiniteDiff v2.27.0 [1fa38f19] + Format v1.3.7 [f6369f11] + ForwardDiff v0.10.38 [34004b35] + HypergeometricFunctions v0.3.27 [842dd82b] + InlineStrings v1.4.3 [92d709cd] + IrrationalConstants v0.2.4 [692b3bcd] + JLLWrappers v1.7.0 [b964fa9f] + LaTeXStrings v1.4.0 [2ab3a3ac] + LogExpFunctions v0.3.29 [2fda8390] + LsqFit v0.15.0 [1914dd2f] + MacroTools v0.5.15 [e1d29d7a] + Missings v1.2.0 [054db54f] + MolSimToolkit v1.25.3 [aea21201] + MolSimToolkitShared v1.1.3 [d41bc354] + NLSolversBase v7.8.3 [77ba4419] + NaNMath v1.1.2 [6fe1bfb0] + OffsetArrays v1.15.0 [bac558e1] + OrderedCollections v1.8.0 [e29189f1] + PDBTools v2.3.2 [90014a1f] + PDMats v0.11.32 [d96e819e] + Parameters v0.12.3 [7b2266bf] + PeriodicTable v1.2.1 [aea7be01] + PrecompileTools v1.2.1 [21216c6a] + Preferences v1.4.3 [92933f4c] + ProgressMeter v1.10.2 [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 v0.8.0 [efcf1570] + Setfield v1.1.2 [a2af1166] + SortingAlgorithms v1.2.1 [276daf66] + SpecialFunctions v2.5.0 [90137ffa] + StaticArrays v1.9.12 [1e83bf80] + StaticArraysCore v1.4.3 [10745b16] + Statistics v1.11.1 [82ae8749] + StatsAPI v1.7.0 [2913bbd2] + StatsBase v0.34.4 [4c63d2b9] + StatsFuns v1.3.2 [1c621080] + TestItems v1.0.0 [3a884ed6] + UnPack v1.0.2 [1986cc42] + Unitful v1.22.0 [a7773ee8] + UnitfulAtomic v1.0.0 [78a364fa] + Chemfiles_jll v0.10.4+0 [74334e00] + DSSP_jll v4.4.0+1 [efe28fd5] + OpenSpecFun_jll v0.5.6+0 [f50d1b31] + Rmath_jll v0.5.1+0 [850473c1] + STRIDE_jll v1.0.0+0 [0dad84c5] + ArgTools v1.1.2 [56f22d72] + Artifacts v1.11.0 [2a0f44e3] + Base64 v1.11.0 [ade2ca70] + Dates v1.11.0 [8ba89e20] + Distributed v1.11.0 [f43a241f] + Downloads v1.7.0 [7b1f6079] + FileWatching v1.11.0 [9fa8497b] + Future v1.11.0 [b77e0a4c] + InteractiveUtils v1.11.0 [ac6e5ff7] + JuliaSyntaxHighlighting v1.12.0 [b27032c2] + LibCURL v0.6.4 [76f85450] + LibGit2 v1.11.0 [8f399da3] + Libdl v1.11.0 [37e2e46d] + LinearAlgebra v1.12.0 [d6f4376e] + Markdown v1.11.0 [ca575930] + NetworkOptions v1.3.0 [de0858da] + Printf v1.11.0 [9a3f8284] + Random v1.11.0 [ea8e919c] + SHA v0.7.0 [9e88b42a] + Serialization v1.11.0 [6462fe0b] + Sockets v1.11.0 [2f01184e] + SparseArrays v1.12.0 [f489334b] + StyledStrings v1.11.0 [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 v8.11.1+1 [e37daf67] + LibGit2_jll v1.9.0+0 [29816b5a] + LibSSH2_jll v1.11.3+1 [14a3606d] + MozillaCACerts_jll v2024.12.31 [4536629a] + OpenBLAS_jll v0.3.29+0 [05823500] + OpenLibm_jll v0.8.5+0 [458c3c95] + OpenSSL_jll v3.0.16+0 [bea87d4a] + SuiteSparse_jll v7.8.3+2 [83775a58] + Zlib_jll v1.3.1+2 [8e850b90] + libblastrampoline_jll v5.12.0+0 [8e850ede] + nghttp2_jll v1.64.0+1 Installation completed after 5.75s ################################################################################ # Precompilation # Precompiling PkgEval dependencies... Precompiling package dependencies... Precompilation completed after 326.92s ################################################################################ # Testing # Testing MolSimToolkit Status `/tmp/jl_93xQeP/Project.toml` [4c88cf16] Aqua v0.8.11 [6e4b80f9] BenchmarkTools v1.6.0 [69e1c6dd] CellListMap v0.9.8 [46823bd8] Chemfiles v0.10.42 [8bb1440f] DelimitedFiles v1.9.1 [ffbed154] DocStringExtensions v0.9.3 [e30172f5] Documenter v1.8.1 [fde71243] EasyFit v0.6.8 [b964fa9f] LaTeXStrings v1.4.0 [054db54f] MolSimToolkit v1.25.3 [aea21201] MolSimToolkitShared v1.1.3 [6fe1bfb0] OffsetArrays v1.15.0 [e29189f1] PDBTools v2.3.2 [91a5bcdd] Plots v1.40.9 [92933f4c] ProgressMeter v1.10.2 [c298f58b] ProteinSecondaryStructures v2.0.3 [189a3867] Reexport v1.2.2 [6038ab10] Rotations v1.7.1 [90137ffa] StaticArrays v1.9.12 [10745b16] Statistics v1.11.1 [2913bbd2] StatsBase v0.34.4 [f8b46487] TestItemRunner v1.1.0 [1c621080] TestItems v1.0.0 [ade2ca70] Dates v1.11.0 [37e2e46d] LinearAlgebra v1.12.0 [8dfed614] Test v1.11.0 Status `/tmp/jl_93xQeP/Manifest.toml` [a4c015fc] ANSIColoredPrinters v0.0.1 [1520ce14] AbstractTrees v0.4.5 [79e6a3ab] Adapt v4.2.0 [66dad0bd] AliasTables v1.1.3 [4c88cf16] Aqua v0.8.11 [4fba245c] ArrayInterface v7.18.0 [a963bdd2] AtomsBase v0.5.1 [6e4b80f9] BenchmarkTools v1.6.0 [d1d4a3ce] BitFlags v0.1.9 [69e1c6dd] CellListMap v0.9.8 [46823bd8] Chemfiles v0.10.42 [ae650224] ChunkSplitters v3.1.1 [944b1d66] CodecZlib v0.7.8 [35d6a980] ColorSchemes v3.29.0 [3da002f7] ColorTypes v0.12.0 [c3611d14] ColorVectorSpace v0.11.0 [5ae59095] Colors v0.13.0 [bbf7d656] CommonSubexpressions v0.3.1 [34da2185] Compat v4.16.0 [f0e56b4a] ConcurrentUtilities v2.5.0 [187b0558] ConstructionBase v1.5.8 [d38c429a] Contour v0.6.3 [9a962f9c] DataAPI v1.16.0 [864edb3b] DataStructures v0.18.20 [8bb1440f] DelimitedFiles v1.9.1 [163ba53b] DiffResults v1.1.0 [b552c78f] DiffRules v1.15.1 [31c24e10] Distributions v0.25.117 [ffbed154] DocStringExtensions v0.9.3 [e30172f5] Documenter v1.8.1 [fde71243] EasyFit v0.6.8 [460bff9d] ExceptionUnwrapping v0.1.11 [c87230d0] FFMPEG v0.4.2 [1a297f60] FillArrays v1.13.0 [6a86dc24] FiniteDiff v2.27.0 [53c48c17] FixedPointNumbers v0.8.5 [1fa38f19] Format v1.3.7 [f6369f11] ForwardDiff v0.10.38 [28b8d3ca] GR v0.73.13 [d7ba0133] Git v1.3.1 [42e2da0e] Grisu v1.0.2 [cd3eb016] HTTP v1.10.15 [34004b35] HypergeometricFunctions v0.3.27 [b5f81e59] IOCapture v0.2.5 [842dd82b] InlineStrings v1.4.3 [92d709cd] IrrationalConstants v0.2.4 [1019f520] JLFzf v0.1.9 [692b3bcd] JLLWrappers v1.7.0 [682c06a0] JSON v0.21.4 [b964fa9f] LaTeXStrings v1.4.0 [23fbe1c1] Latexify v0.16.6 [0e77f7df] LazilyInitializedFields v1.3.0 [2ab3a3ac] LogExpFunctions v0.3.29 [e6f89c97] LoggingExtras v1.1.0 [2fda8390] LsqFit v0.15.0 [1914dd2f] MacroTools v0.5.15 [d0879d2d] MarkdownAST v0.1.2 [739be429] MbedTLS v1.1.9 [442fdcdd] Measures v0.3.2 [e1d29d7a] Missings v1.2.0 [054db54f] MolSimToolkit v1.25.3 [aea21201] MolSimToolkitShared v1.1.3 [d41bc354] NLSolversBase v7.8.3 [77ba4419] NaNMath v1.1.2 [6fe1bfb0] OffsetArrays v1.15.0 [4d8831e6] OpenSSL v1.4.3 [bac558e1] OrderedCollections v1.8.0 [e29189f1] PDBTools v2.3.2 [90014a1f] PDMats v0.11.32 [d96e819e] Parameters v0.12.3 [69de0a69] Parsers v2.8.1 [7b2266bf] PeriodicTable v1.2.1 [b98c9c47] Pipe v1.3.0 [ccf2f8ad] PlotThemes v3.3.0 [995b91a9] PlotUtils v1.4.3 [91a5bcdd] Plots v1.40.9 [aea7be01] PrecompileTools v1.2.1 [21216c6a] Preferences v1.4.3 [92933f4c] ProgressMeter v1.10.2 [c298f58b] ProteinSecondaryStructures v2.0.3 [43287f4e] PtrArrays v1.3.0 [1fd47b50] QuadGK v2.11.2 [94ee1d12] Quaternions v0.7.6 [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 v0.8.0 [6038ab10] Rotations v1.7.1 [6c6a2e73] Scratch v1.2.1 [efcf1570] Setfield v1.1.2 [992d4aef] Showoff v1.0.3 [777ac1f9] SimpleBufferStream v1.2.0 [a2af1166] SortingAlgorithms v1.2.1 [276daf66] 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v1.3.1+2 [8e850b90] libblastrampoline_jll v5.12.0+0 [8e850ede] nghttp2_jll v1.64.0+1 [3f19e933] p7zip_jll v17.5.0+2 Info Packages marked with ⌃ and ⌅ have new versions available. Those with ⌃ may be upgradable, but those with ⌅ are restricted by compatibility constraints from upgrading. Testing Running tests... Precompiling packages... 6802.2 ms ✓ Distributions → DistributionsTestExt 1 dependency successfully precompiled in 9 seconds. 55 already precompiled. ┌ 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 = 55.412784515862604 ┌ 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 = 1.7186586768348233e6 ų Solute extrema = [ -38.685, -24.895, -39.405, 38.685, 24.895, 39.405 ] Å Box sides = [ -60.0, -60.0, -60.0, 60.0, 60.0, 60.0 ] Å Density of solution = 0.9981083100229358 g/mL Solute molar mass = 5612.791939999981 g/mol Cossolvent molar mass = 46.06922 g/mol Solvent molar mass = 18.01534 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 = 55.40324579069481 mol/L = 0.03335275396599827 molecules/ų Final volume fraction = 0.0 Final molar fraction = 0.0 ================================================================== Wrote file: /tmp/jl_Dobej8puhm ==================================================================================================================================== Summary: ================================================================== Target concentration = 13.488667939471432 mol/L (of cossolvent) = 0.5 molar fraction = 0.7635032204047275 volume fraction = 0.7188817400010237 mass fraction = 0.008120178099561802 molecules/ų Box volume = 1.252097279763e6 ų Solution volume = 1.2413112905364318e6 ų Solute extrema = [ -38.685, -24.895, -39.405, 38.685, 24.895, 39.405 ] Å Box sides = [ -58.685, -44.895, -59.405, 58.685, 44.895, 59.405 ] Å Density of solution = 0.8644437567994102 g/mL Solute molar mass = 5612.791939999981 g/mol Cossolvent molar mass = 46.06922 g/mol Solvent molar mass = 18.01534 g/mol Number of cossolvent (ethanol.pdb) molecules = 10080 Number of solvent (water.pdb) molecules = 10080 Final cossolvent concentration = 13.48911121180219 mol/L = 0.008120444949504918 molecules/ų Final solvent concentration = 13.48911121180219 mol/L = 0.008120444949504918 molecules/ų Final volume fraction = 0.7635032204047275 Final molar fraction = 0.5 ================================================================== Wrote file: /tmp/jl_Dobej8puhm ==================================================================================================================================== Summary: ================================================================== Target concentration = 13.488667939471432 mol/L (of cossolvent) = 0.5006337646843319 molar fraction = 0.7639606603864925 volume fraction = 0.7193937678954193 mass fraction = 0.008120178099561802 molecules/ų Box volume = 1.252097279763e6 ų Solution volume = 1.2413036081499623e6 ų Solute extrema = [ -38.685, -24.895, -39.405, 38.685, 24.895, 39.405 ] Å Box sides = [ -58.685, -44.895, -59.405, 58.685, 44.895, 59.405 ] Å Density of solution = 0.8638222890402698 g/mL Solute molar mass = 5612.791939999981 g/mol Cossolvent molar mass = 46.06922 g/mol Solvent molar mass = 18.01534 g/mol Number of cossolvent (ethanol.pdb) molecules = 10080 Number of solvent (water.pdb) molecules = 10054 Final cossolvent concentration = 13.489194695459839 mol/L = 0.008120495206666823 molecules/ų Final solvent concentration = 13.454401137713612 mol/L = 0.008099549484903594 molecules/ų Final volume fraction = 0.7639692504596414 Final molar fraction = 0.5006456739843052 ================================================================== Wrote file: /tmp/jl_Dobej8puhm ==================================================================================================================================== Summary: ================================================================== Target concentration = 13.481291450233174 mol/L (of cossolvent) = 0.5 molar fraction = 0.7635032204047275 volume fraction = 0.7188817400010237 mass fraction = 0.00811573745304037 molecules/ų Box volume = 1.252097279763e6 ų Solution volume = 1.2413053888219155e6 ų Solute extrema = [ -38.685, -24.895, -39.405, 38.685, 24.895, 39.405 ] Å Box sides = [ -58.685, -44.895, -59.405, 58.685, 44.895, 59.405 ] Å Density of solution = 0.8639333144455072 g/mL Solute molar mass = 5612.791939999981 g/mol Cossolvent molar mass = 46.06922 g/mol Solvent molar mass = 18.01534 g/mol Number of cossolvent (ethanol.pdb) molecules = 10074 Number of solvent (water.pdb) molecules = 10074 Final cossolvent concentration = 13.481146073960833 mol/L = 0.008115649936524421 molecules/ų Final solvent concentration = 13.481146073960833 mol/L = 0.008115649936524421 molecules/ų Final volume fraction = 0.7635032204047275 Final molar fraction = 0.5 ================================================================== Wrote file: /tmp/jl_Dobej8puhm ==================================================================================================================================== Summary: ================================================================== Target concentration = 13.48254058058341 mol/L (of cossolvent) = 0.5 molar fraction = 0.7635032204047276 volume fraction = 0.7188817400010237 mass fraction = 0.008116489429511214 molecules/ų Box volume = 1.252097279763e6 ų Solution volume = 1.2413063886689716e6 ų Solute extrema = [ -38.685, -24.895, -39.405, 38.685, 24.895, 39.405 ] Å Box sides = [ -58.685, -44.895, -59.405, 58.685, 44.895, 59.405 ] Å Density of solution = 0.8640183772126517 g/mL Solute molar mass = 5612.791939999981 g/mol Cossolvent molar mass = 46.06922 g/mol Solvent molar mass = 18.01534 g/mol Number of cossolvent (ethanol.pdb) molecules = 10075 Number of solvent (water.pdb) molecules = 10075 Final cossolvent concentration = 13.482473425933666 mol/L = 0.008116449002412067 molecules/ų Final solvent concentration = 13.482473425933666 mol/L = 0.008116449002412067 molecules/ų Final volume fraction = 0.7635032204047275 Final molar fraction = 0.5 ================================================================== Wrote file: /tmp/jl_Dobej8puhm ==================================================================Precompiling packages... 26249.5 ms ✓ Plots → UnitfulExt 19353.5 ms ✓ PDBTools → Plotting 2 dependencies successfully precompiled in 48 seconds. 252 already precompiled. ============================================================= MolSimToolkit version: 1.25.3 Starting Coaraci managed submissions: 2025-02-28 03:47:43 ============================================================= 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 639 milliseconds. 2: B in node node2 finished successfully after 764 milliseconds. > 1 nodes released. Keeping nodes: node2 ------------------------------------------------------------- finished all tasks: - tasks finished successfully: 2 - tasks finished with errors: 0 ============================================================= End Coaraci managed submissions: 2025-02-28 03:47:44 Total running time: 1 second, 75 milliseconds ============================================================= ============================================================= MolSimToolkit version: 1.25.3 Starting Coaraci managed submissions: 2025-02-28 03:47:44 ============================================================= 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 143 milliseconds. > 1 nodes released. Keeping nodes: node2, node3 2: B in node node2 finished successfully after 233 milliseconds. > 1 nodes released. Keeping nodes: node3 3: ERR in node node3 finished with errors after 333 milliseconds. ------------------------------------------------------------- finished all tasks: - tasks finished successfully: 2 - tasks finished with errors: 1 ============================================================= End Coaraci managed submissions: 2025-02-28 03:47:45 Total running time: 381 milliseconds ============================================================= ============================================================= MolSimToolkit version: 1.25.3 Starting Coaraci managed submissions: 2025-02-28 03:47:45 ============================================================= 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 116 milliseconds. 2: B in node node1 finished successfully after 218 milliseconds. ------------------------------------------------------------- finished all tasks: - tasks finished successfully: 2 - tasks finished with errors: 0 ============================================================= End Coaraci managed submissions: 2025-02-28 03:47:45 Total running time: 276 milliseconds ============================================================= ============================================================= MolSimToolkit version: 1.25.3 Starting Coaraci managed submissions: 2025-02-28 03:47:45 ============================================================= 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 209 milliseconds. 2: B in node node1 finished successfully after 218 milliseconds. 3: C in node node1 finished successfully after 231 milliseconds. 4: D in node node2 finished successfully after 243 milliseconds. ------------------------------------------------------------- finished all tasks: - tasks finished successfully: 4 - tasks finished with errors: 0 ============================================================= End Coaraci managed submissions: 2025-02-28 03:47:46 Total running time: 319 milliseconds ============================================================= ============================================================= MolSimToolkit version: 1.25.3 Starting Coaraci managed submissions: 2025-02-28 03:47:46 ============================================================= 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: 2025-02-28 03:47:46 Total running time: 1 millisecond ============================================================= ============================================================= MolSimToolkit version: 1.25.3 Starting Coaraci managed submissions: 2025-02-28 03:47:46 ============================================================= 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 115 milliseconds. 3: C in node node3 finished successfully after 125 milliseconds. 4: D in node node4 finished successfully after 136 milliseconds. 5: E in node node5 finished successfully after 146 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) 9: running I in node node5 (1 in this node) 1: A in node node1 finished successfully after 314 milliseconds. 6: F in node node2 finished successfully after 329 milliseconds. 8: H in node node4 finished successfully after 353 milliseconds. 10: running J in node node1 (1 in this node) 11: running K in node node2 (1 in this node) 12: running L in node node4 (1 in this node) 7: G in node node3 finished successfully after 515 milliseconds. 9: I in node node5 finished successfully after 539 milliseconds. 10: J in node node1 finished successfully after 553 milliseconds. 13: running M in node node3 (1 in this node) 14: running N in node node1 (1 in this node) 15: running O in node node5 (1 in this node) 12: L in node node4 finished successfully after 621 milliseconds. 16: running P in node node4 (1 in this node) 15: O in node node5 finished successfully after 725 milliseconds. 11: K in node node2 finished successfully after 733 milliseconds. 17: running Q in node node5 (1 in this node) 18: running R in node node2 (1 in this node) 16: P in node node4 finished successfully after 766 milliseconds. 19: running S in node node4 (1 in this node) 18: R in node node2 finished successfully after 891 milliseconds. 20: running T in node node2 (1 in this node) 13: M in node node3 finished successfully after 923 milliseconds. 14: N in node node1 finished successfully after 934 milliseconds. 21: running U in node node3 (1 in this node) 22: running V in node node1 (1 in this node) 19: S in node node4 finished successfully after 1 second, 13 milliseconds. 20: T in node node2 finished successfully after 1 second, 24 milliseconds. 23: running W in node node4 (1 in this node) 24: running X in node node2 (1 in this node) 22: V in node node1 finished successfully after 1 second, 80 milliseconds. 17: Q in node node5 finished successfully after 1 second, 92 milliseconds. 25: running Y in node node1 (1 in this node) 26: running Z in node node5 (1 in this node) 24: X in node node2 finished successfully after 1 second, 165 milliseconds. 21: U in node node3 finished successfully after 1 second, 176 milliseconds. > 2 nodes released. Keeping nodes: node4, node1, node5 23: W in node node4 finished successfully after 1 second, 267 milliseconds. > 1 nodes released. Keeping nodes: node1, node5 26: Z in node node5 finished successfully after 1 second, 344 milliseconds. > 1 nodes released. Keeping nodes: node1 25: Y in node node1 finished successfully after 1 second, 443 milliseconds. ------------------------------------------------------------- finished all tasks: - tasks finished successfully: 26 - tasks finished with errors: 0 ============================================================= End Coaraci managed submissions: 2025-02-28 03:47:47 Total running time: 1 second, 459 milliseconds ============================================================= ============================================================= MolSimToolkit version: 1.25.3 Starting Coaraci managed submissions: 2025-02-28 03:47:47 ============================================================= Cluster type: MolSimToolkit.Coaraci.CLUSTER_INTERFACE_TEST JOB ID: 1.test Nodes: node1, node2, node3, node4, node5 Number of tasks per node: 3 ------------------------------------------------------------- Number of tasks to run: 26 ------------------------------------------------------------- 1: running A in node node1 (1 in this node) 2: running B in node node1 (2 in this node) 3: running C in node node1 (3 in this node) 4: running D in node node2 (1 in this node) 5: running E in node node2 (2 in this node) 6: running F in node node2 (3 in this node) 7: running G in node node3 (1 in this node) 8: running H in node node3 (2 in this node) 9: running I in node node3 (3 in this node) 10: running J in node node4 (1 in this node) 11: running K in node node4 (2 in this node) 12: running L in node node4 (3 in this node) 13: running M in node node5 (1 in this node) 14: running N in node node5 (2 in this node) 15: running O in node node5 (3 in this node) 2: B in node node1 finished successfully after 114 milliseconds. 16: running P in node node1 (3 in this node) 12: L in node node4 finished successfully after 226 milliseconds. 5: E in node node2 finished successfully after 155 milliseconds. 6: F in node node2 finished successfully after 168 milliseconds. 8: H in node node3 finished successfully after 178 milliseconds. 10: J in node node4 finished successfully after 188 milliseconds. 1: A in node node1 finished successfully after 310 milliseconds. 3: C in node node1 finished successfully after 129 milliseconds. 4: D in node node2 finished successfully after 142 milliseconds. 17: running Q in node node4 (3 in this node) 18: running R in node node1 (2 in this node) 19: running S in node node1 (3 in this node) 20: running T in node node2 (1 in this node) 21: running U in node node2 (2 in this node) 22: running V in node node2 (3 in this node) 23: running W in node node3 (3 in this node) 24: running X in node node4 (3 in this node) 7: G in node node3 finished successfully after 321 milliseconds. 15: O in node node5 finished successfully after 206 milliseconds. 9: I in node node3 finished successfully after 330 milliseconds. 11: K in node node4 finished successfully after 340 milliseconds. 13: M in node node5 finished successfully after 341 milliseconds. 14: N in node node5 finished successfully after 344 milliseconds. 16: P in node node1 finished successfully after 347 milliseconds. 25: running Y in node node3 (3 in this node) 26: running Z in node node1 (3 in this node) > 1 nodes released. Keeping nodes: node1, node3, node4, node2 18: R in node node1 finished successfully after 459 milliseconds. 20: T in node node2 finished successfully after 469 milliseconds. 22: V in node node2 finished successfully after 477 milliseconds. 24: X in node node4 finished successfully after 486 milliseconds. 19: S in node node1 finished successfully after 560 milliseconds. 21: U in node node2 finished successfully after 562 milliseconds. 23: W in node node3 finished successfully after 578 milliseconds. > 1 nodes released. Keeping nodes: node1, node3, node4 17: Q in node node4 finished successfully after 668 milliseconds. 26: Z in node node1 finished successfully after 705 milliseconds. > 2 nodes released. Keeping nodes: node3 25: Y in node node3 finished successfully after 810 milliseconds. ------------------------------------------------------------- finished all tasks: - tasks finished successfully: 26 - tasks finished with errors: 0 ============================================================= End Coaraci managed submissions: 2025-02-28 03:47:48 Total running time: 849 milliseconds ============================================================= ============================================================= MolSimToolkit version: 1.25.3 Starting Coaraci managed submissions: 2025-02-28 03:47:48 ============================================================= 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) 2: J in node node1 finished successfully after 110 milliseconds. 7: O in node node3 finished successfully after 110 milliseconds. 8: P in node node3 finished successfully after 110 milliseconds. 10: R in node node4 finished successfully after 110 milliseconds. 12: T in node node4 finished successfully after 110 milliseconds. 14: V in node node5 finished successfully after 121 milliseconds. 16: running X in node node1 (3 in this node) 17: running Y in node node3 (2 in this node) 18: running Z in node node3 (3 in this node) 4: L in node node2 finished successfully after 213 milliseconds. 11: S in node node4 finished successfully after 223 milliseconds. 13: U in node node5 finished successfully after 236 milliseconds. 15: W in node node5 finished successfully after 245 milliseconds. 1: I in node node1 finished successfully after 310 milliseconds. > 2 nodes released. Keeping nodes: node1, node2, node3 3: K in node node1 finished successfully after 318 milliseconds. 5: M in node node2 finished successfully after 331 milliseconds. 6: N in node node2 finished successfully after 343 milliseconds. 9: Q in node node3 finished successfully after 351 milliseconds. 16: X in node node1 finished successfully after 366 milliseconds. 18: Z in node node3 finished successfully after 482 milliseconds. > 1 nodes released. Keeping nodes: node1, node3 17: Y in node node3 finished successfully after 564 milliseconds. > 1 nodes released. Keeping nodes: node3 ------------------------------------------------------------- finished all tasks: - tasks finished successfully: 26 - tasks finished with errors: 0 ============================================================= End Coaraci managed submissions: 2025-02-28 03:47:49 Total running time: 635 milliseconds ============================================================= ============================================================= MolSimToolkit version: 1.25.3 Starting Coaraci managed submissions: 2025-02-28 03:47:51 ============================================================= 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: 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 334 milliseconds. 2: B in node node1 finished successfully after 342 milliseconds. 3: C in node node1 finished successfully after 351 milliseconds. 4: D in node node2 finished successfully after 356 milliseconds. ------------------------------------------------------------- finished all tasks: - tasks finished successfully: 4 - tasks finished with errors: 0 ============================================================= End Coaraci managed submissions: 2025-02-28 03:47:51 Total running time: 443 milliseconds ============================================================= Precompiling packages... 5055.9 ms ✓ BenchmarkTools 1 dependency successfully precompiled in 5 seconds. 16 already precompiled. Test Summary: | Pass Total Time Package | 300 300 7m05.5s Testing MolSimToolkit tests passed Testing completed after 477.55s PkgEval succeeded after 847.28s