Package evaluation to test ComplexMixtures on Julia 1.14.0-DEV.1613 (8dab3f0623*) started at 2026-01-25T18:54:59.425 ################################################################################ # Set-up # Installing PkgEval dependencies (TestEnv)... Activating project at `~/.julia/environments/v1.14` Set-up completed after 10.17s ################################################################################ # Installation # Installing ComplexMixtures... Resolving package versions... Updating `~/.julia/environments/v1.14/Project.toml` [6f35c628] + ComplexMixtures v2.16.0 Updating `~/.julia/environments/v1.14/Manifest.toml` [a963bdd2] + AtomsBase v0.5.2 [69e1c6dd] + CellListMap v0.9.15 [46823bd8] + Chemfiles v0.10.43 [ae650224] + ChunkSplitters v3.1.2 [34da2185] + Compat v4.18.1 [6f35c628] + ComplexMixtures v2.16.0 [187b0558] + ConstructionBase v1.6.0 [ffbed154] + DocStringExtensions v0.9.5 [1fa38f19] + Format v1.3.7 [c58ffaec] + FortranFiles v0.6.2 [842dd82b] + InlineStrings v1.4.5 [692b3bcd] + JLLWrappers v1.7.1 [0f8b85d8] + JSON3 v1.14.3 [1914dd2f] + MacroTools v0.5.16 [aea21201] + MolSimToolkitShared v1.2.1 [bac558e1] + OrderedCollections v1.8.1 [e29189f1] + PDBTools v3.18.0 [d96e819e] + Parameters v0.12.3 [69de0a69] + Parsers v2.8.3 [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 [e6cf234a] + RandomNumbers v1.6.0 [ae029012] + Requires v1.3.1 [fdea26ae] + SIMD v3.7.2 [efcf1570] + Setfield v1.1.2 [860ef19b] + StableRNGs v1.0.4 [90137ffa] + StaticArrays v1.9.16 [1e83bf80] + StaticArraysCore v1.4.4 [10745b16] + Statistics v1.11.1 [856f2bd8] + StructTypes v1.11.0 [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 [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 [f489334b] + StyledStrings v1.13.0 [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 v8.18.0+0 [29816b5a] + LibSSH2_jll v1.11.3+1 [14a3606d] + MozillaCACerts_jll v2025.12.2 [4536629a] + OpenBLAS_jll v0.3.30+0 [458c3c95] + OpenSSL_jll v3.5.4+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 5.41s ################################################################################ # Precompilation # Precompiling PkgEval dependencies... Precompiling package dependencies... Precompiling packages... 34580.3 ms ✓ PDBTools 27005.4 ms ✓ PDBTools → Plotting 45416.3 ms ✓ ComplexMixtures 36146.9 ms ✓ ComplexMixtures → Plotting 4 dependencies successfully precompiled in 146 seconds. 231 already precompiled. Precompilation completed after 166.48s ################################################################################ # Testing # Testing ComplexMixtures Status `/tmp/jl_8a7GTb/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 [6f35c628] ComplexMixtures v2.16.0 [8bb1440f] DelimitedFiles v1.9.1 [ffbed154] DocStringExtensions v0.9.5 [e30172f5] Documenter v1.16.1 [c58ffaec] FortranFiles v0.6.2 [0f8b85d8] JSON3 v1.14.3 [aea21201] MolSimToolkitShared v1.2.1 [e29189f1] PDBTools v3.18.0 [91a5bcdd] Plots v1.41.4 [aea7be01] PrecompileTools v1.3.3 [92933f4c] ProgressMeter v1.11.0 [e6cf234a] RandomNumbers v1.6.0 [aed2ae9c] ShowMethodTesting v1.3.0 [860ef19b] StableRNGs v1.0.4 [90137ffa] StaticArrays v1.9.16 [10745b16] Statistics v1.11.1 [856f2bd8] StructTypes v1.11.0 [f8b46487] TestItemRunner v1.1.4 [1c621080] TestItems v1.0.0 [37e2e46d] LinearAlgebra v1.13.0 [de0858da] Printf 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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 [fa267f1f] TOML v1.0.3 [a4e569a6] Tar v1.10.0 [8dfed614] Test v1.11.0 [cf7118a7] UUIDs v1.11.0 [4ec0a83e] Unicode v1.11.0 [e66e0078] CompilerSupportLibraries_jll v1.3.0+1 [deac9b47] LibCURL_jll v8.18.0+0 [e37daf67] LibGit2_jll v1.9.2+0 [29816b5a] LibSSH2_jll v1.11.3+1 [14a3606d] MozillaCACerts_jll v2025.12.2 [4536629a] OpenBLAS_jll v0.3.30+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... ERROR: LoadError: Precompiled image Base.PkgId(Base.UUID("69e1c6dd-3888-40e6-b3c8-31ac5f578864"), "CellListMap") 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:2863  [3] _require_prelocked(uuidkey::Base.PkgId, env::String)  @ Base ./loading.jl:2715  [4] macro expansion  @ ./loading.jl:2642 [inlined]  [5] macro expansion  @ ./lock.jl:376 [inlined]  [6] __require(into::Module, mod::Symbol)  @ Base ./loading.jl:2606  [7] require  @ ./loading.jl:2582 [inlined]  [8] eval_import_path  @ ./module.jl:36 [inlined]  [9] _eval_import(imported::Bool, to::Module, from::Nothing, paths::Expr)  @ Base ./module.jl:111  [10] top-level scope  @ ~/.julia/packages/PDBTools/vFeVF/src/tools/sasa.jl:1  [11] include(mapexpr::Function, mod::Module, _path::String)  @ Base ./Base.jl:310  [12] top-level scope  @ ~/.julia/packages/PDBTools/vFeVF/src/PDBTools.jl:116  [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:3308  [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:3150  [18] include_string  @ ./loading.jl:3160 [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/PDBTools/vFeVF/src/tools/sasa.jl:1 in expression starting at /home/pkgeval/.julia/packages/PDBTools/vFeVF/src/PDBTools.jl:1 in expression starting at stdin:5 Persistent tasks: Test Failed at /home/pkgeval/.julia/packages/Aqua/MCcFg/src/persistent_tasks.jl:38 Expression: !(has_persistent_tasks(package; kwargs...)) Evaluated: !(has_persistent_tasks(Base.PkgId(Base.UUID("6f35c628-ac57-5bae-8ea9-703a8964f6e9"), "ComplexMixtures"))) Stacktrace: [1] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:782 [inlined] [2] test_persistent_tasks(package::Base.PkgId; broken::Bool, kwargs::@Kwargs{}) @ Aqua ~/.julia/packages/Aqua/MCcFg/src/persistent_tasks.jl:38 [3] test_persistent_tasks @ ~/.julia/packages/Aqua/MCcFg/src/persistent_tasks.jl:34 [inlined] [4] #test_persistent_tasks#57 @ ~/.julia/packages/Aqua/MCcFg/src/persistent_tasks.jl:43 [inlined] [5] test_persistent_tasks @ ~/.julia/packages/Aqua/MCcFg/src/persistent_tasks.jl:42 [inlined] [6] macro expansion @ ~/.julia/packages/Aqua/MCcFg/src/Aqua.jl:109 [inlined] [7] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2244 [inlined] [8] test_all(testtarget::Module; ambiguities::Bool, unbound_args::Bool, undefined_exports::Bool, project_extras::Bool, stale_deps::Bool, deps_compat::Bool, piracies::Bool, persistent_tasks::Bool, undocumented_names::Bool) @ Aqua ~/.julia/packages/Aqua/MCcFg/src/Aqua.jl:109 ┌ Warning: │ │ Using default values for dbulk, cutoff and/or usecutoff: │ │ dbulk = 10.0 │ cutoff = 10.0 │ usecutoff = false │ │ It is recommended to set bulk_range manually, according to the │ system size and correlations of the distribution function with, │ for example: Options(bulk_range = (8.0, 12.0)) │ └ @ ComplexMixtures ┌ Warning: │ │ Using default values for dbulk, cutoff and/or usecutoff: │ │ dbulk = 10.0 │ cutoff = 10.0 │ usecutoff = false │ │ It is recommended to set bulk_range manually, according to the │ system size and correlations of the distribution function with, │ for example: Options(bulk_range = (8.0, 12.0)) │ └ @ ComplexMixtures Progress: 8%|███▏ | ETA: 0:00:22 Progress: 100%|█████████████████████████████████████████| Time: 0:00:01 ┌ Warning: One-letter code for residue(s) not found. Using full residue name. └ @ Plotting OUTPUT FILES: Wrote total MDDF to output file: /tmp/jl_h2rYbS3kHS.dat Wrote solute group MDDF contributions to file: /tmp/jl_h2rYbS3kHS-GROUP_CONTRIBUTIONS_SOLUTE.dat Wrote solute group MDDF contributions to file: /tmp/jl_h2rYbS3kHS-GROUP_CONTRIBUTIONS_SOLVENT.dat OUTPUT FILES: Wrote total MDDF to output file: /tmp/jl_jGBEzcrgli.dat Wrote solute group MDDF contributions to file: /tmp/jl_jGBEzcrgli-GROUP_CONTRIBUTIONS_SOLUTE.dat Wrote solute group MDDF contributions to file: /tmp/jl_jGBEzcrgli-GROUP_CONTRIBUTIONS_SOLVENT.dat OUTPUT FILES: Wrote total MDDF to output file: /tmp/jl_dGZm9S7Shw.dat Wrote solute group MDDF contributions to file: /tmp/jl_dGZm9S7Shw-GROUP_CONTRIBUTIONS_SOLUTE.dat Wrote solute group MDDF contributions to file: /tmp/jl_dGZm9S7Shw-GROUP_CONTRIBUTIONS_SOLVENT.dat ┌ Warning: │ │ Using default values for dbulk, cutoff and/or usecutoff: │ │ dbulk = 10.0 │ cutoff = 10.0 │ usecutoff = false │ │ It is recommended to set bulk_range manually, according to the │ system size and correlations of the distribution function with, │ for example: Options(bulk_range = (8.0, 12.0)) │ └ @ ComplexMixtures ┌ Warning: │ │ Vector of group atom indices was provided but vector of group names is empty. │ The group contributions will be only retrieved by the group indices. │ └ @ ComplexMixtures Building grid... 0%| | ETA: 3:40:10 Building grid... 37%|█████████████ | ETA: 0:00:02 Building grid... 100%|███████████████████████████████████| Time: 0:00:01 Grid written to /tmp/jl_PkBWNU74hi.pdb Building grid... 50%|█████████████████▍ | ETA: 0:00:00 Building grid... 95%|█████████████████████████████████▏ | ETA: 0:00:00 Building grid... 100%|███████████████████████████████████| Time: 0:00:01 Grid written to /tmp/jl_PkBWNU74hi.pdb ┌ Warning: │ │ Using default values for dbulk, cutoff and/or usecutoff: │ │ dbulk = 10.0 │ cutoff = 10.0 │ usecutoff = false │ │ It is recommended to set bulk_range manually, according to the │ system size and correlations of the distribution function with, │ for example: Options(bulk_range = (8.0, 12.0)) │ └ @ ComplexMixtures -------------------------------------------------------------------------------- Initializing data structures ... Evaluate trajectory meta-data and go to first frame ... -------------------------------------------------------------------------------- Starting MDDF calculation in parallel: 5 frames will be considered. Number of calculation threads: 1 Solute: 1463 atoms belonging to 1 molecule. Solvent: 2534 atoms belonging to 181 molecules. Progress: 40%|████████████████▍ | ETA: 0:00:02 Progress: 100%|█████████████████████████████████████████| Time: 0:00:01 ┌ Warning: │ │ Ideal-gas histogram bins with zero samples. │ Increase n_random_samples, number of trajectory frames, and/or bin size. │ └ @ ComplexMixtures -------------------------------------------------------------------------------- ┌ Warning: │ │ Using default values for dbulk, cutoff and/or usecutoff: │ │ dbulk = 10.0 │ cutoff = 10.0 │ usecutoff = false │ │ It is recommended to set bulk_range manually, according to the │ system size and correlations of the distribution function with, │ for example: Options(bulk_range = (8.0, 12.0)) │ └ @ ComplexMixtures -------------------------------------------------------------------------------- Initializing data structures ... Evaluate trajectory meta-data and go to first frame ... -------------------------------------------------------------------------------- Starting MDDF calculation in parallel: 5 frames will be considered. Number of calculation threads: 1 Solute: 1463 atoms belonging to 1 molecule. Solvent: 2534 atoms belonging to 181 molecules. ┌ Warning: │ │ Ideal-gas histogram bins with zero samples. │ Increase n_random_samples, number of trajectory frames, and/or bin size. │ └ @ ComplexMixtures -------------------------------------------------------------------------------- ┌ Warning: │ │ Using default values for dbulk, cutoff and/or usecutoff: │ │ dbulk = 10.0 │ cutoff = 10.0 │ usecutoff = false │ │ It is recommended to set bulk_range manually, according to the │ system size and correlations of the distribution function with, │ for example: Options(bulk_range = (8.0, 12.0)) │ └ @ ComplexMixtures -------------------------------------------------------------------------------- Initializing data structures ... Evaluate trajectory meta-data and go to first frame ... -------------------------------------------------------------------------------- Starting MDDF calculation in parallel: 5 frames will be considered. Number of calculation threads: 1 Solute: 1463 atoms belonging to 1 molecule. Solvent: 2534 atoms belonging to 181 molecules. ┌ Warning: │ │ Ideal-gas histogram bins with zero samples. │ Increase n_random_samples, number of trajectory frames, and/or bin size. │ └ @ ComplexMixtures -------------------------------------------------------------------------------- ┌ Warning: │ │ Using default values for dbulk, cutoff and/or usecutoff: │ │ dbulk = 10.0 │ cutoff = 10.0 │ usecutoff = false │ │ It is recommended to set bulk_range manually, according to the │ system size and correlations of the distribution function with, │ for example: Options(bulk_range = (8.0, 12.0)) │ └ @ ComplexMixtures -------------------------------------------------------------------------------- Initializing data structures ... Evaluate trajectory meta-data and go to first frame ... -------------------------------------------------------------------------------- Starting MDDF calculation in parallel: 5 frames will be considered. Number of calculation threads: 1 Solute: 72 atoms belonging to 1 molecule. Solvent: 2534 atoms belonging to 181 molecules. ┌ Warning: │ │ Ideal-gas histogram bins with zero samples. │ Increase n_random_samples, number of trajectory frames, and/or bin size. │ └ @ ComplexMixtures -------------------------------------------------------------------------------- ┌ Warning: │ │ Using default values for dbulk, cutoff and/or usecutoff: │ │ dbulk = 10.0 │ cutoff = 10.0 │ usecutoff = false │ │ It is recommended to set bulk_range manually, according to the │ system size and correlations of the distribution function with, │ for example: Options(bulk_range = (8.0, 12.0)) │ └ @ ComplexMixtures -------------------------------------------------------------------------------- Initializing data structures ... Evaluate trajectory meta-data and go to first frame ... -------------------------------------------------------------------------------- Starting MDDF calculation in parallel: 20 frames will be considered. Number of calculation threads: 1 Solute: 3 atoms belonging to 1 molecule. Solvent: 58011 atoms belonging to 19337 molecules. Progress: 15%|██████▏ | ETA: 0:00:06 Progress: 35%|██████████████▍ | ETA: 0:00:04 Progress: 55%|██████████████████████▌ | ETA: 0:00:03 Progress: 70%|████████████████████████████▊ | ETA: 0:00:02 Progress: 85%|██████████████████████████████████▉ | ETA: 0:00:01 Progress: 100%|█████████████████████████████████████████| Time: 0:00:06 ┌ Warning: │ │ Ideal-gas histogram bins with zero samples. │ Increase n_random_samples, number of trajectory frames, and/or bin size. │ └ @ ComplexMixtures -------------------------------------------------------------------------------- ┌ Warning: │ │ Group indices are not sorted. The array will be sorted for faster search. │ └ @ ComplexMixtures ┌ Warning: │ │ Group indices are not sorted. The array will be sorted for faster search. │ └ @ ComplexMixtures ┌ Warning: │ │ Group indices are not sorted. The array will be sorted for faster search. │ └ @ ComplexMixtures ┌ Warning: │ │ Using default values for dbulk, cutoff and/or usecutoff: │ │ dbulk = 10.0 │ cutoff = 10.0 │ usecutoff = false │ │ It is recommended to set bulk_range manually, according to the │ system size and correlations of the distribution function with, │ for example: Options(bulk_range = (8.0, 12.0)) │ └ @ ComplexMixtures -------------------------------------------------------------------------------- Initializing data structures ... Evaluate trajectory meta-data and go to first frame ... -------------------------------------------------------------------------------- Starting MDDF calculation in parallel: 20 frames will be considered. Number of calculation threads: 1 Solute: 3 atoms belonging to 1 molecule. Solvent: 58011 atoms belonging to 19337 molecules. Progress: 20%|████████▎ | ETA: 0:00:05 Progress: 35%|██████████████▍ | ETA: 0:00:04 Progress: 50%|████████████████████▌ | ETA: 0:00:03 Progress: 70%|████████████████████████████▊ | ETA: 0:00:02 Progress: 90%|████████████████████████████████████▉ | ETA: 0:00:01 Progress: 100%|█████████████████████████████████████████| Time: 0:00:06 ┌ Warning: │ │ Ideal-gas histogram bins with zero samples. │ Increase n_random_samples, number of trajectory frames, and/or bin size. │ └ @ ComplexMixtures -------------------------------------------------------------------------------- ┌ Warning: │ │ Group indices are not sorted. The array will be sorted for faster search. │ └ @ ComplexMixtures ┌ Warning: │ │ Group indices are not sorted. The array will be sorted for faster search. │ └ @ ComplexMixtures ┌ Warning: │ │ Group indices are not sorted. The array will be sorted for faster search. │ └ @ ComplexMixtures ┌ Warning: │ │ Group indices are not sorted. The array will be sorted for faster search. │ └ @ ComplexMixtures ┌ Warning: │ │ Group indices are not sorted. The array will be sorted for faster search. │ └ @ ComplexMixtures ┌ Warning: │ │ Using default values for dbulk, cutoff and/or usecutoff: │ │ dbulk = 10.0 │ cutoff = 10.0 │ usecutoff = false │ │ It is recommended to set bulk_range manually, according to the │ system size and correlations of the distribution function with, │ for example: Options(bulk_range = (8.0, 12.0)) │ └ @ ComplexMixtures ┌ Warning: │ │ Using default values for dbulk, cutoff and/or usecutoff: │ │ dbulk = 10.0 │ cutoff = 10.0 │ usecutoff = false │ │ It is recommended to set bulk_range manually, according to the │ system size and correlations of the distribution function with, │ for example: Options(bulk_range = (8.0, 12.0)) │ └ @ ComplexMixtures ┌ Warning: │ │ Using default values for dbulk, cutoff and/or usecutoff: │ │ dbulk = 10.0 │ cutoff = 10.0 │ usecutoff = false │ │ It is recommended to set bulk_range manually, according to the │ system size and correlations of the distribution function with, │ for example: Options(bulk_range = (8.0, 12.0)) │ └ @ ComplexMixtures ┌ Warning: │ │ Using default values for dbulk, cutoff and/or usecutoff: │ │ dbulk = 10.0 │ cutoff = 12.0 │ usecutoff = true │ │ It is recommended to set bulk_range manually, according to the │ system size and correlations of the distribution function with, │ for example: Options(bulk_range = (8.0, 12.0)) │ └ @ ComplexMixtures ┌ Warning: │ │ Using default values for dbulk, cutoff and/or usecutoff: │ │ dbulk = 10.0 │ cutoff = 14.0 │ usecutoff = true │ │ It is recommended to set bulk_range manually, according to the │ system size and correlations of the distribution function with, │ for example: Options(bulk_range = (8.0, 12.0)) │ └ @ ComplexMixtures ┌ Warning: │ │ Using default values for dbulk, cutoff and/or usecutoff: │ │ dbulk = 10.0 │ cutoff = 10.0 │ usecutoff = false │ │ It is recommended to set bulk_range manually, according to the │ system size and correlations of the distribution function with, │ for example: Options(bulk_range = (8.0, 12.0)) │ └ @ ComplexMixtures ┌ Warning: │ │ Using default values for dbulk, cutoff and/or usecutoff: │ │ dbulk = 10.0 │ cutoff = 10.0 │ usecutoff = false │ │ It is recommended to set bulk_range manually, according to the │ system size and correlations of the distribution function with, │ for example: Options(bulk_range = (8.0, 12.0)) │ └ @ ComplexMixtures ┌ Warning: │ │ Using default values for dbulk, cutoff and/or usecutoff: │ │ dbulk = 10.0 │ cutoff = 10.0 │ usecutoff = false │ │ It is recommended to set bulk_range manually, according to the │ system size and correlations of the distribution function with, │ for example: Options(bulk_range = (8.0, 12.0)) │ └ @ ComplexMixtures -------------------------------------------------------------------------------- Initializing data structures ... Evaluate trajectory meta-data and go to first frame ... -------------------------------------------------------------------------------- Starting MDDF calculation in parallel: 20 frames will be considered. Number of calculation threads: 1 Solute: 1463 atoms belonging to 1 molecule. Solvent: 2534 atoms belonging to 181 molecules. ┌ Warning: │ │ coordination_number_only was set to true, so the MDDF and KB integrals were not computed. │ (to remove this warning use `Options(silent=true)`) │ └ @ ComplexMixtures -------------------------------------------------------------------------------- ┌ Warning: │ │ Using default values for dbulk, cutoff and/or usecutoff: │ │ dbulk = 10.0 │ cutoff = 10.0 │ usecutoff = false │ │ It is recommended to set bulk_range manually, according to the │ system size and correlations of the distribution function with, │ for example: Options(bulk_range = (8.0, 12.0)) │ └ @ ComplexMixtures -------------------------------------------------------------------------------- Opening trajectory ... -------------------------------------------------------------------------------- Initializing data structures ... Evaluate trajectory meta-data and go to first frame ... ┌ Warning: │ │ Using default values for dbulk, cutoff and/or usecutoff: │ │ dbulk = 10.0 │ cutoff = 10.0 │ usecutoff = false │ │ It is recommended to set bulk_range manually, according to the │ system size and correlations of the distribution function with, │ for example: Options(bulk_range = (8.0, 12.0)) │ └ @ ComplexMixtures -------------------------------------------------------------------------------- Opening trajectory ... -------------------------------------------------------------------------------- Initializing data structures ... Evaluate trajectory meta-data and go to first frame ... -------------------------------------------------------------------------------- Starting MDDF calculation in parallel: 2 frames will be considered. Number of calculation threads: 1 Solute: 2 atoms belonging to 2 molecules. Solvent: 2 atoms belonging to 2 molecules. [ Info: From thread id: 1: stop_complexmixtures file found. Exiting. ┌ Warning: │ │ Ideal-gas histogram bins with zero samples. │ Increase n_random_samples, number of trajectory frames, and/or bin size. │ └ @ ComplexMixtures -------------------------------------------------------------------------------- ┌ Warning: │ │ Using default values for dbulk, cutoff and/or usecutoff: │ │ dbulk = 10.0 │ cutoff = 10.0 │ usecutoff = false │ │ It is recommended to set bulk_range manually, according to the │ system size and correlations of the distribution function with, │ for example: Options(bulk_range = (8.0, 12.0)) │ └ @ ComplexMixtures ┌ Warning: │ │ Using default values for dbulk, cutoff and/or usecutoff: │ │ dbulk = 10.0 │ cutoff = 10.0 │ usecutoff = false │ │ It is recommended to set bulk_range manually, according to the │ system size and correlations of the distribution function with, │ for example: Options(bulk_range = (8.0, 12.0)) │ └ @ ComplexMixtures -------------------------------------------------------------------------------- Opening trajectory ... -------------------------------------------------------------------------------- Initializing data structures ... Evaluate trajectory meta-data and go to first frame ... -------------------------------------------------------------------------------- Starting MDDF calculation in parallel: 2 frames will be considered. Number of calculation threads: 1 Solute: 9 atoms belonging to 9 molecules. Solvent: 9 atoms belonging to 9 molecules. ┌ Warning: │ │ Ideal-gas histogram bins with zero samples. │ Increase n_random_samples, number of trajectory frames, and/or bin size. │ └ @ ComplexMixtures -------------------------------------------------------------------------------- ┌ Warning: │ │ Using default values for dbulk, cutoff and/or usecutoff: │ │ dbulk = 10.0 │ cutoff = 10.0 │ usecutoff = false │ │ It is recommended to set bulk_range manually, according to the │ system size and correlations of the distribution function with, │ for example: Options(bulk_range = (8.0, 12.0)) │ └ @ ComplexMixtures -------------------------------------------------------------------------------- Opening trajectory ... -------------------------------------------------------------------------------- Initializing data structures ... Evaluate trajectory meta-data and go to first frame ... -------------------------------------------------------------------------------- Starting MDDF calculation in parallel: 2 frames will be considered. Number of calculation threads: 1 Solute: 9 atoms belonging to 9 molecules. Solvent: 9 atoms belonging to 9 molecules. ┌ Warning: │ │ Ideal-gas histogram bins with zero samples. │ Increase n_random_samples, number of trajectory frames, and/or bin size. │ └ @ ComplexMixtures -------------------------------------------------------------------------------- ┌ Warning: │ │ Using default values for dbulk, cutoff and/or usecutoff: │ │ dbulk = 10.0 │ cutoff = 10.0 │ usecutoff = false │ │ It is recommended to set bulk_range manually, according to the │ system size and correlations of the distribution function with, │ for example: Options(bulk_range = (8.0, 12.0)) │ └ @ ComplexMixtures -------------------------------------------------------------------------------- Opening trajectory ... -------------------------------------------------------------------------------- Initializing data structures ... Evaluate trajectory meta-data and go to first frame ... -------------------------------------------------------------------------------- Starting MDDF calculation in parallel: 2 frames will be considered. Number of calculation threads: 1 Solute: 9 atoms belonging to 9 molecules. Solvent: 9 atoms belonging to 9 molecules. ┌ Warning: │ │ Ideal-gas histogram bins with zero samples. │ Increase n_random_samples, number of trajectory frames, and/or bin size. │ └ @ ComplexMixtures -------------------------------------------------------------------------------- ┌ Warning: │ │ Using default values for dbulk, cutoff and/or usecutoff: │ │ dbulk = 10.0 │ cutoff = 10.0 │ usecutoff = false │ │ It is recommended to set bulk_range manually, according to the │ system size and correlations of the distribution function with, │ for example: Options(bulk_range = (8.0, 12.0)) │ └ @ ComplexMixtures -------------------------------------------------------------------------------- Opening trajectory ... -------------------------------------------------------------------------------- Initializing data structures ... Evaluate trajectory meta-data and go to first frame ... -------------------------------------------------------------------------------- Starting MDDF calculation in parallel: 2 frames will be considered. Number of calculation threads: 1 Solute: 9 atoms belonging to 9 molecules. Solvent: 9 atoms belonging to 9 molecules. ┌ Warning: │ │ Ideal-gas histogram bins with zero samples. │ Increase n_random_samples, number of trajectory frames, and/or bin size. │ └ @ ComplexMixtures -------------------------------------------------------------------------------- ┌ Warning: │ │ Using default values for dbulk, cutoff and/or usecutoff: │ │ dbulk = 10.0 │ cutoff = 10.0 │ usecutoff = false │ │ It is recommended to set bulk_range manually, according to the │ system size and correlations of the distribution function with, │ for example: Options(bulk_range = (8.0, 12.0)) │ └ @ ComplexMixtures -------------------------------------------------------------------------------- Initializing data structures ... Evaluate trajectory meta-data and go to first frame ... -------------------------------------------------------------------------------- Starting MDDF calculation in parallel: 2 frames will be considered. Number of calculation threads: 1 Solute: 9 atoms belonging to 9 molecules. Solvent: 9 atoms belonging to 9 molecules. ┌ Warning: │ │ coordination_number_only was set to true, so the MDDF and KB integrals were not computed. │ (to remove this warning use `Options(silent=true)`) │ └ @ ComplexMixtures -------------------------------------------------------------------------------- ┌ Warning: │ │ Using default values for dbulk, cutoff and/or usecutoff: │ │ dbulk = 10.0 │ cutoff = 10.0 │ usecutoff = false │ │ It is recommended to set bulk_range manually, according to the │ system size and correlations of the distribution function with, │ for example: Options(bulk_range = (8.0, 12.0)) │ └ @ ComplexMixtures -------------------------------------------------------------------------------- Initializing data structures ... Evaluate trajectory meta-data and go to first frame ... -------------------------------------------------------------------------------- Starting MDDF calculation in parallel: 2 frames will be considered. Number of calculation threads: 1 Solute: 9 atoms belonging to 9 molecules. Solvent: 9 atoms belonging to 9 molecules. ┌ Warning: │ │ coordination_number_only was set to true, so the MDDF and KB integrals were not computed. │ (to remove this warning use `Options(silent=true)`) │ └ @ ComplexMixtures -------------------------------------------------------------------------------- ┌ Warning: │ │ Using default values for dbulk, cutoff and/or usecutoff: │ │ dbulk = 10.0 │ cutoff = 10.0 │ usecutoff = false │ │ It is recommended to set bulk_range manually, according to the │ system size and correlations of the distribution function with, │ for example: Options(bulk_range = (8.0, 12.0)) │ └ @ ComplexMixtures -------------------------------------------------------------------------------- Initializing data structures ... Evaluate trajectory meta-data and go to first frame ... -------------------------------------------------------------------------------- Starting MDDF calculation in parallel: 2 frames will be considered. Number of calculation threads: 1 Solute: 9 atoms belonging to 9 molecules. Solvent: 9 atoms belonging to 9 molecules. ┌ Warning: │ │ coordination_number_only was set to true, so the MDDF and KB integrals were not computed. │ (to remove this warning use `Options(silent=true)`) │ └ @ ComplexMixtures -------------------------------------------------------------------------------- ┌ Warning: │ │ Using default values for dbulk, cutoff and/or usecutoff: │ │ dbulk = 10.0 │ cutoff = 10.0 │ usecutoff = false │ │ It is recommended to set bulk_range manually, according to the │ system size and correlations of the distribution function with, │ for example: Options(bulk_range = (8.0, 12.0)) │ └ @ ComplexMixtures -------------------------------------------------------------------------------- Initializing data structures ... Evaluate trajectory meta-data and go to first frame ... -------------------------------------------------------------------------------- Starting MDDF calculation in parallel: 2 frames will be considered. Number of calculation threads: 1 Solute: 9 atoms belonging to 9 molecules. Solvent: 9 atoms belonging to 9 molecules. ┌ Warning: │ │ coordination_number_only was set to true, so the MDDF and KB integrals were not computed. │ (to remove this warning use `Options(silent=true)`) │ └ @ ComplexMixtures -------------------------------------------------------------------------------- ┌ Warning: │ │ Using default values for dbulk, cutoff and/or usecutoff: │ │ dbulk = 10.0 │ cutoff = 10.0 │ usecutoff = false │ │ It is recommended to set bulk_range manually, according to the │ system size and correlations of the distribution function with, │ for example: Options(bulk_range = (8.0, 12.0)) │ └ @ ComplexMixtures ┌ Warning: │ │ Using default values for dbulk, cutoff and/or usecutoff: │ │ dbulk = 10.0 │ cutoff = 10.0 │ usecutoff = false │ │ It is recommended to set bulk_range manually, according to the │ system size and correlations of the distribution function with, │ for example: Options(bulk_range = (8.0, 12.0)) │ └ @ ComplexMixtures ┌ Warning: │ │ Using default values for dbulk, cutoff and/or usecutoff: │ │ dbulk = 10.0 │ cutoff = 10.0 │ usecutoff = false │ │ It is recommended to set bulk_range manually, according to the │ system size and correlations of the distribution function with, │ for example: Options(bulk_range = (8.0, 12.0)) │ └ @ ComplexMixtures -------------------------------------------------------------------------------- Opening trajectory ... -------------------------------------------------------------------------------- Initializing data structures ... Evaluate trajectory meta-data and go to first frame ... ┌ Warning: │ │ The memory required for the computation is a large proportion of the total system's memory. │ Depending on resources used by other processes, this may lead to memory exhaustion and │ and the termination of the computation. │ │ - The Results data structure is 0.01 GiB, and 10000000000 copies are required │ for the parallel computation, thus requiring 5.677042529e7 GiB. │ - The total system memory is: 32.0 GiB. │ │ To reduce memory requirements, consider: │ │ - Use the `low_memory = true` option in the call to `mddf`. │ For example: `mddf(trajectory_file, solute, solvent, options; low_memory = true)` │ - Using the predefinition of custom groups of atoms in the solute and solvent. │ See: https://m3g.github.io/ComplexMixtures.jl/stable/selection/#predefinition-of-groups │ - Reducing the number of threads, with the `Options(nthreads=N)` parameter. │ Here, we suggest at most N=1127. │ └ @ ComplexMixtures ┌ Warning: │ │ Using default values for dbulk, cutoff and/or usecutoff: │ │ dbulk = 10.0 │ cutoff = 10.0 │ usecutoff = false │ │ It is recommended to set bulk_range manually, according to the │ system size and correlations of the distribution function with, │ for example: Options(bulk_range = (8.0, 12.0)) │ └ @ ComplexMixtures -------------------------------------------------------------------------------- Opening trajectory ... -------------------------------------------------------------------------------- Initializing data structures ... Evaluate trajectory meta-data and go to first frame ... -------------------------------------------------------------------------------- Starting MDDF calculation in parallel: 3 frames will be considered. Number of calculation threads: 1 Solute: 2534 atoms belonging to 181 molecules. Solvent: 2534 atoms belonging to 181 molecules. Running with low-memory option: - Parallel CellListMap can be used. - Number of parallel minimum-distance computations: 1 - Each minimum-distance computation will use 1 threads. ┌ Warning: │ │ Ideal-gas histogram bins with zero samples. │ Increase n_random_samples, number of trajectory frames, and/or bin size. │ └ @ ComplexMixtures -------------------------------------------------------------------------------- ┌ Warning: │ │ Using default values for dbulk, cutoff and/or usecutoff: │ │ dbulk = 10.0 │ cutoff = 10.0 │ usecutoff = false │ │ It is recommended to set bulk_range manually, according to the │ system size and correlations of the distribution function with, │ for example: Options(bulk_range = (8.0, 12.0)) │ └ @ ComplexMixtures -------------------------------------------------------------------------------- Opening trajectory ... -------------------------------------------------------------------------------- Initializing data structures ... Evaluate trajectory meta-data and go to first frame ... -------------------------------------------------------------------------------- Starting MDDF calculation in parallel: 2 frames will be considered. Number of calculation threads: 1 Solute: 2534 atoms belonging to 181 molecules. Solvent: 2534 atoms belonging to 181 molecules. Running with low-memory option: - Parallel CellListMap can be used. - Number of parallel minimum-distance computations: 1 - Each minimum-distance computation will use 1 threads. ┌ Warning: │ │ Ideal-gas histogram bins with zero samples. │ Increase n_random_samples, number of trajectory frames, and/or bin size. │ └ @ ComplexMixtures -------------------------------------------------------------------------------- ┌ Warning: │ │ Using default values for dbulk, cutoff and/or usecutoff: │ │ dbulk = 10.0 │ cutoff = 10.0 │ usecutoff = false │ │ It is recommended to set bulk_range manually, according to the │ system size and correlations of the distribution function with, │ for example: Options(bulk_range = (8.0, 12.0)) │ └ @ ComplexMixtures -------------------------------------------------------------------------------- Opening trajectory ... -------------------------------------------------------------------------------- Initializing data structures ... Evaluate trajectory meta-data and go to first frame ... -------------------------------------------------------------------------------- Starting MDDF calculation in parallel: 2 frames will be considered. Number of calculation threads: 1 Solute: 2534 atoms belonging to 181 molecules. Solvent: 2534 atoms belonging to 181 molecules. Running with low-memory option: - Parallel CellListMap can be used. - Number of parallel minimum-distance computations: 1 - Each minimum-distance computation will use 1 threads. ┌ Warning: │ │ Ideal-gas histogram bins with zero samples. │ Increase n_random_samples, number of trajectory frames, and/or bin size. │ └ @ ComplexMixtures -------------------------------------------------------------------------------- ┌ Warning: │ │ Using default values for dbulk, cutoff and/or usecutoff: │ │ dbulk = 10.0 │ cutoff = 10.0 │ usecutoff = false │ │ It is recommended to set bulk_range manually, according to the │ system size and correlations of the distribution function with, │ for example: Options(bulk_range = (8.0, 12.0)) │ └ @ ComplexMixtures -------------------------------------------------------------------------------- Opening trajectory ... -------------------------------------------------------------------------------- Initializing data structures ... Evaluate trajectory meta-data and go to first frame ... -------------------------------------------------------------------------------- Starting MDDF calculation in parallel: 2 frames will be considered. Number of calculation threads: 1 Solute: 2534 atoms belonging to 181 molecules. Solvent: 2534 atoms belonging to 181 molecules. Running with low-memory option: - Parallel CellListMap can be used. - Number of parallel minimum-distance computations: 1 - Each minimum-distance computation will use 1 threads. ┌ Warning: │ │ Ideal-gas histogram bins with zero samples. │ Increase n_random_samples, number of trajectory frames, and/or bin size. │ └ @ ComplexMixtures -------------------------------------------------------------------------------- ┌ Warning: │ │ Using default values for dbulk, cutoff and/or usecutoff: │ │ dbulk = 10.0 │ cutoff = 10.0 │ usecutoff = false │ │ It is recommended to set bulk_range manually, according to the │ system size and correlations of the distribution function with, │ for example: Options(bulk_range = (8.0, 12.0)) │ └ @ ComplexMixtures -------------------------------------------------------------------------------- Opening trajectory ... -------------------------------------------------------------------------------- Initializing data structures ... Evaluate trajectory meta-data and go to first frame ... -------------------------------------------------------------------------------- Starting MDDF calculation in parallel: 2 frames will be considered. Number of calculation threads: 1 Solute: 2534 atoms belonging to 181 molecules. Solvent: 2534 atoms belonging to 181 molecules. Running with low-memory option: - Parallel CellListMap can be used. - Number of parallel minimum-distance computations: 1 - Each minimum-distance computation will use 1 threads. ┌ Warning: │ │ Ideal-gas histogram bins with zero samples. │ Increase n_random_samples, number of trajectory frames, and/or bin size. │ └ @ ComplexMixtures -------------------------------------------------------------------------------- ┌ Warning: │ │ Using default values for dbulk, cutoff and/or usecutoff: │ │ dbulk = 10.0 │ cutoff = 10.0 │ usecutoff = false │ │ It is recommended to set bulk_range manually, according to the │ system size and correlations of the distribution function with, │ for example: Options(bulk_range = (8.0, 12.0)) │ └ @ ComplexMixtures -------------------------------------------------------------------------------- Opening trajectory ... -------------------------------------------------------------------------------- Initializing data structures ... Evaluate trajectory meta-data and go to first frame ... -------------------------------------------------------------------------------- Starting MDDF calculation in parallel: 3 frames will be considered. Number of calculation threads: 1 Solute: 2534 atoms belonging to 181 molecules. Solvent: 2534 atoms belonging to 181 molecules. ┌ Warning: │ │ Ideal-gas histogram bins with zero samples. │ Increase n_random_samples, number of trajectory frames, and/or bin size. │ └ @ ComplexMixtures -------------------------------------------------------------------------------- ┌ Warning: │ │ Using default values for dbulk, cutoff and/or usecutoff: │ │ dbulk = 10.0 │ cutoff = 10.0 │ usecutoff = false │ │ It is recommended to set bulk_range manually, according to the │ system size and correlations of the distribution function with, │ for example: Options(bulk_range = (8.0, 12.0)) │ └ @ ComplexMixtures -------------------------------------------------------------------------------- Opening trajectory ... -------------------------------------------------------------------------------- Initializing data structures ... Evaluate trajectory meta-data and go to first frame ... -------------------------------------------------------------------------------- Starting MDDF calculation in parallel: 2 frames will be considered. Number of calculation threads: 1 Solute: 2534 atoms belonging to 181 molecules. Solvent: 2534 atoms belonging to 181 molecules. ┌ Warning: │ │ Ideal-gas histogram bins with zero samples. │ Increase n_random_samples, number of trajectory frames, and/or bin size. │ └ @ ComplexMixtures -------------------------------------------------------------------------------- ┌ Warning: │ │ Using default values for dbulk, cutoff and/or usecutoff: │ │ dbulk = 10.0 │ cutoff = 10.0 │ usecutoff = false │ │ It is recommended to set bulk_range manually, according to the │ system size and correlations of the distribution function with, │ for example: Options(bulk_range = (8.0, 12.0)) │ └ @ ComplexMixtures -------------------------------------------------------------------------------- Opening trajectory ... -------------------------------------------------------------------------------- Initializing data structures ... Evaluate trajectory meta-data and go to first frame ... -------------------------------------------------------------------------------- Starting MDDF calculation in parallel: 2 frames will be considered. Number of calculation threads: 1 Solute: 2534 atoms belonging to 181 molecules. Solvent: 2534 atoms belonging to 181 molecules. ┌ Warning: │ │ Ideal-gas histogram bins with zero samples. │ Increase n_random_samples, number of trajectory frames, and/or bin size. │ └ @ ComplexMixtures -------------------------------------------------------------------------------- ┌ Warning: │ │ Using default values for dbulk, cutoff and/or usecutoff: │ │ dbulk = 10.0 │ cutoff = 10.0 │ usecutoff = false │ │ It is recommended to set bulk_range manually, according to the │ system size and correlations of the distribution function with, │ for example: Options(bulk_range = (8.0, 12.0)) │ └ @ ComplexMixtures -------------------------------------------------------------------------------- Opening trajectory ... -------------------------------------------------------------------------------- Initializing data structures ... Evaluate trajectory meta-data and go to first frame ... -------------------------------------------------------------------------------- Starting MDDF calculation in parallel: 2 frames will be considered. Number of calculation threads: 1 Solute: 2534 atoms belonging to 181 molecules. Solvent: 2534 atoms belonging to 181 molecules. ┌ Warning: │ │ Ideal-gas histogram bins with zero samples. │ Increase n_random_samples, number of trajectory frames, and/or bin size. │ └ @ ComplexMixtures -------------------------------------------------------------------------------- ┌ Warning: │ │ Using default values for dbulk, cutoff and/or usecutoff: │ │ dbulk = 10.0 │ cutoff = 10.0 │ usecutoff = false │ │ It is recommended to set bulk_range manually, according to the │ system size and correlations of the distribution function with, │ for example: Options(bulk_range = (8.0, 12.0)) │ └ @ ComplexMixtures -------------------------------------------------------------------------------- Opening trajectory ... -------------------------------------------------------------------------------- Initializing data structures ... Evaluate trajectory meta-data and go to first frame ... -------------------------------------------------------------------------------- Starting MDDF calculation in parallel: 2 frames will be considered. Number of calculation threads: 1 Solute: 2534 atoms belonging to 181 molecules. Solvent: 2534 atoms belonging to 181 molecules. ┌ Warning: │ │ Ideal-gas histogram bins with zero samples. │ Increase n_random_samples, number of trajectory frames, and/or bin size. │ └ @ ComplexMixtures -------------------------------------------------------------------------------- ┌ Warning: │ │ Using default values for dbulk, cutoff and/or usecutoff: │ │ dbulk = 10.0 │ cutoff = 10.0 │ usecutoff = false │ │ It is recommended to set bulk_range manually, according to the │ system size and correlations of the distribution function with, │ for example: Options(bulk_range = (8.0, 12.0)) │ └ @ ComplexMixtures -------------------------------------------------------------------------------- Opening trajectory ... -------------------------------------------------------------------------------- Initializing data structures ... Evaluate trajectory meta-data and go to first frame ... -------------------------------------------------------------------------------- Starting MDDF calculation in parallel: 3 frames will be considered. Number of calculation threads: 1 Solute: 2534 atoms belonging to 181 molecules. Solvent: 2534 atoms belonging to 181 molecules. Running with low-memory option: - Parallel CellListMap can be used. - Number of parallel minimum-distance computations: 1 - Each minimum-distance computation will use 1 threads. ┌ Warning: │ │ Ideal-gas histogram bins with zero samples. │ Increase n_random_samples, number of trajectory frames, and/or bin size. │ └ @ ComplexMixtures -------------------------------------------------------------------------------- ┌ Warning: │ │ Using default values for dbulk, cutoff and/or usecutoff: │ │ dbulk = 10.0 │ cutoff = 10.0 │ usecutoff = false │ │ It is recommended to set bulk_range manually, according to the │ system size and correlations of the distribution function with, │ for example: Options(bulk_range = (8.0, 12.0)) │ └ @ ComplexMixtures -------------------------------------------------------------------------------- Opening trajectory ... -------------------------------------------------------------------------------- Initializing data structures ... Evaluate trajectory meta-data and go to first frame ... -------------------------------------------------------------------------------- Starting MDDF calculation in parallel: 2 frames will be considered. Number of calculation threads: 1 Solute: 2534 atoms belonging to 181 molecules. Solvent: 2534 atoms belonging to 181 molecules. Running with low-memory option: - Parallel CellListMap can be used. - Number of parallel minimum-distance computations: 1 - Each minimum-distance computation will use 1 threads. ┌ Warning: │ │ Ideal-gas histogram bins with zero samples. │ Increase n_random_samples, number of trajectory frames, and/or bin size. │ └ @ ComplexMixtures -------------------------------------------------------------------------------- ┌ Warning: │ │ Using default values for dbulk, cutoff and/or usecutoff: │ │ dbulk = 10.0 │ cutoff = 10.0 │ usecutoff = false │ │ It is recommended to set bulk_range manually, according to the │ system size and correlations of the distribution function with, │ for example: Options(bulk_range = (8.0, 12.0)) │ └ @ ComplexMixtures -------------------------------------------------------------------------------- Opening trajectory ... -------------------------------------------------------------------------------- Initializing data structures ... Evaluate trajectory meta-data and go to first frame ... -------------------------------------------------------------------------------- Starting MDDF calculation in parallel: 2 frames will be considered. Number of calculation threads: 1 Solute: 2534 atoms belonging to 181 molecules. Solvent: 2534 atoms belonging to 181 molecules. Running with low-memory option: - Parallel CellListMap can be used. - Number of parallel minimum-distance computations: 1 - Each minimum-distance computation will use 1 threads. ┌ Warning: │ │ Ideal-gas histogram bins with zero samples. │ Increase n_random_samples, number of trajectory frames, and/or bin size. │ └ @ ComplexMixtures -------------------------------------------------------------------------------- ┌ Warning: │ │ Using default values for dbulk, cutoff and/or usecutoff: │ │ dbulk = 10.0 │ cutoff = 10.0 │ usecutoff = false │ │ It is recommended to set bulk_range manually, according to the │ system size and correlations of the distribution function with, │ for example: Options(bulk_range = (8.0, 12.0)) │ └ @ ComplexMixtures -------------------------------------------------------------------------------- Opening trajectory ... -------------------------------------------------------------------------------- Initializing data structures ... Evaluate trajectory meta-data and go to first frame ... -------------------------------------------------------------------------------- Starting MDDF calculation in parallel: 2 frames will be considered. Number of calculation threads: 1 Solute: 2534 atoms belonging to 181 molecules. Solvent: 2534 atoms belonging to 181 molecules. Running with low-memory option: - Parallel CellListMap can be used. - Number of parallel minimum-distance computations: 1 - Each minimum-distance computation will use 1 threads. ┌ Warning: │ │ Ideal-gas histogram bins with zero samples. │ Increase n_random_samples, number of trajectory frames, and/or bin size. │ └ @ ComplexMixtures -------------------------------------------------------------------------------- ┌ Warning: │ │ Using default values for dbulk, cutoff and/or usecutoff: │ │ dbulk = 10.0 │ cutoff = 10.0 │ usecutoff = false │ │ It is recommended to set bulk_range manually, according to the │ system size and correlations of the distribution function with, │ for example: Options(bulk_range = (8.0, 12.0)) │ └ @ ComplexMixtures -------------------------------------------------------------------------------- Opening trajectory ... -------------------------------------------------------------------------------- Initializing data structures ... Evaluate trajectory meta-data and go to first frame ... -------------------------------------------------------------------------------- Starting MDDF calculation in parallel: 2 frames will be considered. Number of calculation threads: 1 Solute: 2534 atoms belonging to 181 molecules. Solvent: 2534 atoms belonging to 181 molecules. Running with low-memory option: - Parallel CellListMap can be used. - Number of parallel minimum-distance computations: 1 - Each minimum-distance computation will use 1 threads. ┌ Warning: │ │ Ideal-gas histogram bins with zero samples. │ Increase n_random_samples, number of trajectory frames, and/or bin size. │ └ @ ComplexMixtures -------------------------------------------------------------------------------- ┌ Warning: │ │ Using default values for dbulk, cutoff and/or usecutoff: │ │ dbulk = 10.0 │ cutoff = 10.0 │ usecutoff = false │ │ It is recommended to set bulk_range manually, according to the │ system size and correlations of the distribution function with, │ for example: Options(bulk_range = (8.0, 12.0)) │ └ @ ComplexMixtures -------------------------------------------------------------------------------- Opening trajectory ... -------------------------------------------------------------------------------- Initializing data structures ... Evaluate trajectory meta-data and go to first frame ... -------------------------------------------------------------------------------- Starting MDDF calculation in parallel: 3 frames will be considered. Number of calculation threads: 1 Solute: 2534 atoms belonging to 181 molecules. Solvent: 2534 atoms belonging to 181 molecules. ┌ Warning: │ │ Ideal-gas histogram bins with zero samples. │ Increase n_random_samples, number of trajectory frames, and/or bin size. │ └ @ ComplexMixtures -------------------------------------------------------------------------------- ┌ Warning: │ │ Using default values for dbulk, cutoff and/or usecutoff: │ │ dbulk = 10.0 │ cutoff = 10.0 │ usecutoff = false │ │ It is recommended to set bulk_range manually, according to the │ system size and correlations of the distribution function with, │ for example: Options(bulk_range = (8.0, 12.0)) │ └ @ ComplexMixtures -------------------------------------------------------------------------------- Opening trajectory ... -------------------------------------------------------------------------------- Initializing data structures ... Evaluate trajectory meta-data and go to first frame ... -------------------------------------------------------------------------------- Starting MDDF calculation in parallel: 2 frames will be considered. Number of calculation threads: 1 Solute: 2534 atoms belonging to 181 molecules. Solvent: 2534 atoms belonging to 181 molecules. ┌ Warning: │ │ Ideal-gas histogram bins with zero samples. │ Increase n_random_samples, number of trajectory frames, and/or bin size. │ └ @ ComplexMixtures -------------------------------------------------------------------------------- ┌ Warning: │ │ Using default values for dbulk, cutoff and/or usecutoff: │ │ dbulk = 10.0 │ cutoff = 10.0 │ usecutoff = false │ │ It is recommended to set bulk_range manually, according to the │ system size and correlations of the distribution function with, │ for example: Options(bulk_range = (8.0, 12.0)) │ └ @ ComplexMixtures -------------------------------------------------------------------------------- Opening trajectory ... -------------------------------------------------------------------------------- Initializing data structures ... Evaluate trajectory meta-data and go to first frame ... -------------------------------------------------------------------------------- Starting MDDF calculation in parallel: 2 frames will be considered. Number of calculation threads: 1 Solute: 2534 atoms belonging to 181 molecules. Solvent: 2534 atoms belonging to 181 molecules. ┌ Warning: │ │ Ideal-gas histogram bins with zero samples. │ Increase n_random_samples, number of trajectory frames, and/or bin size. │ └ @ ComplexMixtures -------------------------------------------------------------------------------- ┌ Warning: │ │ Using default values for dbulk, cutoff and/or usecutoff: │ │ dbulk = 10.0 │ cutoff = 10.0 │ usecutoff = false │ │ It is recommended to set bulk_range manually, according to the │ system size and correlations of the distribution function with, │ for example: Options(bulk_range = (8.0, 12.0)) │ └ @ ComplexMixtures -------------------------------------------------------------------------------- Opening trajectory ... -------------------------------------------------------------------------------- Initializing data structures ... Evaluate trajectory meta-data and go to first frame ... -------------------------------------------------------------------------------- Starting MDDF calculation in parallel: 2 frames will be considered. Number of calculation threads: 1 Solute: 2534 atoms belonging to 181 molecules. Solvent: 2534 atoms belonging to 181 molecules. ┌ Warning: │ │ Ideal-gas histogram bins with zero samples. │ Increase n_random_samples, number of trajectory frames, and/or bin size. │ └ @ ComplexMixtures -------------------------------------------------------------------------------- ┌ Warning: │ │ Using default values for dbulk, cutoff and/or usecutoff: │ │ dbulk = 10.0 │ cutoff = 10.0 │ usecutoff = false │ │ It is recommended to set bulk_range manually, according to the │ system size and correlations of the distribution function with, │ for example: Options(bulk_range = (8.0, 12.0)) │ └ @ ComplexMixtures -------------------------------------------------------------------------------- Opening trajectory ... -------------------------------------------------------------------------------- Initializing data structures ... Evaluate trajectory meta-data and go to first frame ... -------------------------------------------------------------------------------- Starting MDDF calculation in parallel: 2 frames will be considered. Number of calculation threads: 1 Solute: 2534 atoms belonging to 181 molecules. Solvent: 2534 atoms belonging to 181 molecules. ┌ Warning: │ │ Ideal-gas histogram bins with zero samples. │ Increase n_random_samples, number of trajectory frames, and/or bin size. │ └ @ ComplexMixtures -------------------------------------------------------------------------------- ┌ Warning: │ │ Using default values for dbulk, cutoff and/or usecutoff: │ │ dbulk = 10.0 │ cutoff = 10.0 │ usecutoff = false │ │ It is recommended to set bulk_range manually, according to the │ system size and correlations of the distribution function with, │ for example: Options(bulk_range = (8.0, 12.0)) │ └ @ ComplexMixtures -------------------------------------------------------------------------------- Initializing data structures ... Evaluate trajectory meta-data and go to first frame ... ┌ Warning: │ │ Using default values for dbulk, cutoff and/or usecutoff: │ │ dbulk = 10.0 │ cutoff = 10.0 │ usecutoff = false │ │ It is recommended to set bulk_range manually, according to the │ system size and correlations of the distribution function with, │ for example: Options(bulk_range = (8.0, 12.0)) │ └ @ ComplexMixtures -------------------------------------------------------------------------------- Initializing data structures ... Evaluate trajectory meta-data and go to first frame ... ┌ Warning: │ │ Using default values for dbulk, cutoff and/or usecutoff: │ │ dbulk = 10.0 │ cutoff = 10.0 │ usecutoff = false │ │ It is recommended to set bulk_range manually, according to the │ system size and correlations of the distribution function with, │ for example: Options(bulk_range = (8.0, 12.0)) │ └ @ ComplexMixtures -------------------------------------------------------------------------------- Initializing data structures ... Evaluate trajectory meta-data and go to first frame ... ┌ Warning: │ │ Using default values for dbulk, cutoff and/or usecutoff: │ │ dbulk = 10.0 │ cutoff = 10.0 │ usecutoff = false │ │ It is recommended to set bulk_range manually, according to the │ system size and correlations of the distribution function with, │ for example: Options(bulk_range = (8.0, 12.0)) │ └ @ ComplexMixtures -------------------------------------------------------------------------------- Initializing data structures ... Evaluate trajectory meta-data and go to first frame ... ┌ Warning: │ │ Using default values for dbulk, cutoff and/or usecutoff: │ │ dbulk = 10.0 │ cutoff = 10.0 │ usecutoff = false │ │ It is recommended to set bulk_range manually, according to the │ system size and correlations of the distribution function with, │ for example: Options(bulk_range = (8.0, 12.0)) │ └ @ ComplexMixtures -------------------------------------------------------------------------------- Initializing data structures ... Evaluate trajectory meta-data and go to first frame ... -------------------------------------------------------------------------------- Starting MDDF calculation in parallel: 1 frames will be considered. Number of calculation threads: 1 Solute: 1 atom belonging to 1 molecule. Solvent: 1 atom belonging to 1 molecule. ┌ Warning: │ │ Ideal-gas histogram bins with zero samples. │ Increase n_random_samples, number of trajectory frames, and/or bin size. │ └ @ ComplexMixtures -------------------------------------------------------------------------------- ┌ Warning: │ │ Using default values for dbulk, cutoff and/or usecutoff: │ │ dbulk = 10.0 │ cutoff = 10.0 │ usecutoff = false │ │ It is recommended to set bulk_range manually, according to the │ system size and correlations of the distribution function with, │ for example: Options(bulk_range = (8.0, 12.0)) │ └ @ ComplexMixtures -------------------------------------------------------------------------------- Initializing data structures ... Evaluate trajectory meta-data and go to first frame ... -------------------------------------------------------------------------------- Starting MDDF calculation in parallel: 1 frames will be considered. Number of calculation threads: 1 Solute: 1 atom belonging to 1 molecule. Solvent: 1 atom belonging to 1 molecule. ┌ Warning: │ │ Ideal-gas histogram bins with zero samples. │ Increase n_random_samples, number of trajectory frames, and/or bin size. │ └ @ ComplexMixtures -------------------------------------------------------------------------------- ┌ Warning: │ │ Using default values for dbulk, cutoff and/or usecutoff: │ │ dbulk = 10.0 │ cutoff = 10.0 │ usecutoff = false │ │ It is recommended to set bulk_range manually, according to the │ system size and correlations of the distribution function with, │ for example: Options(bulk_range = (8.0, 12.0)) │ └ @ ComplexMixtures -------------------------------------------------------------------------------- Initializing data structures ... Evaluate trajectory meta-data and go to first frame ... -------------------------------------------------------------------------------- Starting MDDF calculation in parallel: 1 frames will be considered. Number of calculation threads: 1 Solute: 1 atom belonging to 1 molecule. Solvent: 1 atom belonging to 1 molecule. ┌ Warning: │ │ Ideal-gas histogram bins with zero samples. │ Increase n_random_samples, number of trajectory frames, and/or bin size. │ └ @ ComplexMixtures -------------------------------------------------------------------------------- ┌ Warning: │ │ Frame weights and file weights differ, because crustom frame weights were provided. │ └ @ ComplexMixtures ┌ Warning: │ │ Using default values for dbulk, cutoff and/or usecutoff: │ │ dbulk = 10.0 │ cutoff = 10.0 │ usecutoff = false │ │ It is recommended to set bulk_range manually, according to the │ system size and correlations of the distribution function with, │ for example: Options(bulk_range = (8.0, 12.0)) │ └ @ ComplexMixtures ┌ Warning: │ │ Using default values for dbulk, cutoff and/or usecutoff: │ │ dbulk = 10.0 │ cutoff = 10.0 │ usecutoff = false │ │ It is recommended to set bulk_range manually, according to the │ system size and correlations of the distribution function with, │ for example: Options(bulk_range = (8.0, 12.0)) │ └ @ ComplexMixtures ┌ Warning: │ │ Vector of group atom indices was provided but vector of group names is empty. │ The group contributions will be only retrieved by the group indices. │ └ @ ComplexMixtures ┌ Warning: │ │ Group indices are not sorted. The array will be sorted for faster search. │ └ @ ComplexMixtures ┌ Warning: │ │ Vector of group atom indices was provided but vector of group names is empty. │ The group contributions will be only retrieved by the group indices. │ └ @ ComplexMixtures ┌ Warning: │ │ Vector of group atom indices was provided but vector of group names is empty. │ The group contributions will be only retrieved by the group indices. │ └ @ ComplexMixtures ┌ Warning: │ │ Vector of group atom indices was provided but vector of group names is empty. │ The group contributions will be only retrieved by the group indices. │ └ @ ComplexMixtures ┌ Warning: │ │ The residue tick labels in the two ResidueContributions objects differ. │ The resulting tick labels will be from the first object. │ └ @ ComplexMixtures ┌ Warning: │ │ The residue tick labels in the two ResidueContributions objects differ. │ The resulting tick labels will be from the first object. │ └ @ ComplexMixtures ┌ Warning: │ │ The residue tick labels in the two ResidueContributions objects differ. │ The resulting tick labels will be from the first object. │ └ @ ComplexMixtures ┌ Warning: │ │ The residue tick labels in the two ResidueContributions objects differ. │ The resulting tick labels will be from the first object. │ └ @ ComplexMixtures ┌ Warning: │ │ The residue tick labels in the two ResidueContributions objects differ. │ The resulting tick labels will be from the first object. │ └ @ ComplexMixtures ┌ Warning: │ │ The residue tick labels in the two ResidueContributions objects differ. │ The resulting tick labels will be from the first object. │ └ @ ComplexMixtures ┌ Warning: │ │ The residue tick labels in the two ResidueContributions objects differ. │ The resulting tick labels will be from the first object. │ └ @ ComplexMixtures ┌ Warning: │ │ The residue tick labels in the two ResidueContributions objects differ. │ The resulting tick labels will be from the first object. │ └ @ ComplexMixtures ┌ Warning: │ │ The residue tick labels in the two ResidueContributions objects differ. │ The resulting tick labels will be from the first object. │ └ @ ComplexMixtures ┌ Warning: │ │ The residue tick labels in the two ResidueContributions objects differ. │ The resulting tick labels will be from the first object. │ └ @ ComplexMixtures ┌ Warning: │ │ The residue tick labels in the two ResidueContributions objects differ. │ The resulting tick labels will be from the first object. │ └ @ ComplexMixtures ┌ Warning: │ │ The residue tick labels in the two ResidueContributions objects differ. │ The resulting tick labels will be from the first object. │ └ @ ComplexMixtures ┌ Warning: │ │ The residue tick labels in the two ResidueContributions objects differ. │ The resulting tick labels will be from the first object. │ └ @ ComplexMixtures ┌ Warning: │ │ The residue tick labels in the two ResidueContributions objects differ. │ The resulting tick labels will be from the first object. │ └ @ ComplexMixtures ┌ Warning: │ │ The residue tick labels in the two ResidueContributions objects differ. │ The resulting tick labels will be from the first object. │ └ @ ComplexMixtures ┌ Warning: │ │ The residue tick labels in the two ResidueContributions objects differ. │ The resulting tick labels will be from the first object. │ └ @ ComplexMixtures ┌ Warning: │ │ The residue tick labels in the two ResidueContributions objects differ. │ The resulting tick labels will be from the first object. │ └ @ ComplexMixtures ┌ Warning: │ │ The residue tick labels in the two ResidueContributions objects differ. │ The resulting tick labels will be from the first object. │ └ @ ComplexMixtures ┌ Warning: │ │ The residue tick labels in the two ResidueContributions objects differ. │ The resulting tick labels will be from the first object. │ └ @ ComplexMixtures ┌ Warning: │ │ The residue tick labels in the two ResidueContributions objects differ. │ The resulting tick labels will be from the first object. │ └ @ ComplexMixtures ┌ Warning: │ │ The residue tick labels in the two ResidueContributions objects differ. │ The resulting tick labels will be from the first object. │ └ @ ComplexMixtures ┌ Warning: │ │ The residue tick labels in the two ResidueContributions objects differ. │ The resulting tick labels will be from the first object. │ └ @ ComplexMixtures ┌ Warning: │ │ The residue tick labels in the two ResidueContributions objects differ. │ The resulting tick labels will be from the first object. │ └ @ ComplexMixtures ┌ Warning: │ │ The residue tick labels in the two ResidueContributions objects differ. │ The resulting tick labels will be from the first object. │ └ @ ComplexMixtures ┌ Warning: │ │ The residue tick labels in the two ResidueContributions objects differ. │ The resulting tick labels will be from the first object. │ └ @ ComplexMixtures ┌ Warning: │ │ The residue tick labels in the two ResidueContributions objects differ. │ The resulting tick labels will be from the first object. │ └ @ ComplexMixtures ┌ Warning: │ │ The residue tick labels in the two ResidueContributions objects differ. │ The resulting tick labels will be from the first object. │ └ @ ComplexMixtures ┌ Warning: │ │ The residue tick labels in the two ResidueContributions objects differ. │ The resulting tick labels will be from the first object. │ └ @ ComplexMixtures ┌ Warning: │ │ The residue tick labels in the two ResidueContributions objects differ. │ The resulting tick labels will be from the first object. │ └ @ ComplexMixtures ┌ Warning: │ │ Using default values for dbulk, cutoff and/or usecutoff: │ │ dbulk = 10.0 │ cutoff = 10.0 │ usecutoff = false │ │ It is recommended to set bulk_range manually, according to the │ system size and correlations of the distribution function with, │ for example: Options(bulk_range = (8.0, 12.0)) │ └ @ ComplexMixtures -------------------------------------------------------------------------------- Initializing data structures ... Evaluate trajectory meta-data and go to first frame ... -------------------------------------------------------------------------------- Starting MDDF calculation in parallel: 2 frames will be considered. Number of calculation threads: 1 Solute: 1463 atoms belonging to 1 molecule. Solvent: 58014 atoms belonging to 19338 molecules. ┌ Warning: │ │ Ideal-gas histogram bins with zero samples. │ Increase n_random_samples, number of trajectory frames, and/or bin size. │ └ @ ComplexMixtures -------------------------------------------------------------------------------- Test Summary: | Pass Fail Total Time Package | 3812 1 3813 16m09.8s src/update_counters.jl | 5 5 1m24.8s test/namd.jl | 7 7 1m02.2s test/runtests.jl | 10 1 11 2m10.8s Aqua.test_all | 10 1 11 2m10.8s Method ambiguity | 1 1 20.2s Unbound type parameters | 1 1 0.1s Undefined exports | 1 1 0.0s Compare Project.toml and test/Project.toml | 1 1 0.0s Stale dependencies | 1 1 12.6s Compat bounds | 4 4 0.6s Piracy | 1 1 13.3s Persistent tasks | 1 1 1m01.0s test/allocations.jl | 10 10 39.5s src/Trajectory.jl | 35 35 11.9s ext/Plotting.jl | 14 14 5m13.4s src/tools/renormalize.jl | 11 11 2.3s src/io.jl | 4 4 0.0s test/pdb.jl | 2 2 8.7s src/trajectory_formats/ChemFiles.jl | 1 1 1.2s src/tools/write.jl | 2979 2979 17.5s src/minimum_distances.jl | 17 17 1.5s src/rigid_body.jl | 15 15 7.8s src/tools/coordination_number.jl | 6 6 2.9s test/gromacs.jl | 3 3 2.8s src/tools/grid3D.jl | 23 23 12.7s src/tools/contributions.jl | 76 76 55.6s src/Options.jl | 32 32 0.6s src/tools/gr.jl | 3 3 58.2s test/show_methods.jl | 8 8 3.9s test/namd_chemfiles.jl | 6 6 22.6s src/mddf.jl | 346 346 1m03.8s src/results.jl | 66 66 10.4s src/AtomSelection.jl | 73 73 9.6s src/tools/residue_contributions.jl | 60 60 44.9s ERROR: LoadError: Some tests did not pass: 3812 passed, 1 failed, 0 errored, 0 broken. in expression starting at /home/pkgeval/.julia/packages/ComplexMixtures/DvrUm/test/runtests.jl:20 Testing failed after 985.62s ERROR: LoadError: Package ComplexMixtures 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:3122 [3] test @ /opt/julia/share/julia/stdlib/v1.14/Pkg/src/Operations.jl:2987 [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 1218.67s: package has test failures