Package evaluation of AtomsCalculatorsUtilities on Julia 1.13.0-DEV.1114 (7de5585024*) started at 2025-09-14T03:24:13.788 ################################################################################ # Set-up # Installing PkgEval dependencies (TestEnv)... Set-up completed after 9.62s ################################################################################ # Installation # Installing AtomsCalculatorsUtilities... Resolving package versions... Updating `~/.julia/environments/v1.13/Project.toml` [9855a07e] + AtomsCalculatorsUtilities v0.1.8 Updating `~/.julia/environments/v1.13/Manifest.toml` [7d9f7c33] + Accessors v0.1.42 [79e6a3ab] + Adapt v4.3.0 [dce04be8] + ArgCheck v2.5.0 [a963bdd2] + AtomsBase v0.5.1 [a3e0e189] + AtomsCalculators v0.2.3 [9855a07e] + AtomsCalculatorsUtilities v0.1.8 [198e06fe] + BangBang v0.4.4 [9718e550] + Baselet v0.1.1 [8ce10254] + Bumper v0.7.1 [ae650224] + ChunkSplitters v3.1.2 [bbf7d656] + CommonSubexpressions v0.3.1 [34da2185] + Compat v4.18.0 [a33af91c] + CompositionsBase v0.1.2 [187b0558] + ConstructionBase v1.6.0 [9a962f9c] + DataAPI v1.16.0 [e2d170a0] + DataValueInterfaces v1.0.0 [244e2a9f] + DefineSingletons v0.1.2 [163ba53b] + DiffResults v1.1.0 [b552c78f] + DiffRules v1.15.1 [ffbed154] + DocStringExtensions v0.9.5 [e189563c] + ExternalDocstrings v0.1.1 [41a02a25] + Folds v0.2.10 [f6369f11] + ForwardDiff v1.2.1 [22cec73e] + InitialValues v0.3.1 [3587e190] + InverseFunctions v0.1.17 [92d709cd] + IrrationalConstants v0.2.4 [82899510] + IteratorInterfaceExtensions v1.0.0 [692b3bcd] + JLLWrappers v1.7.1 [2ab3a3ac] + LogExpFunctions v0.3.29 [1914dd2f] + MacroTools v0.5.16 [128add7d] + MicroCollections v0.2.0 [77ba4419] + NaNMath v1.1.3 [2fcf5ba9] + NeighbourLists v0.5.10 [bac558e1] + OrderedCollections v1.8.1 [7b2266bf] + PeriodicTable v1.2.1 [aea7be01] + PrecompileTools v1.3.3 [21216c6a] + Preferences v1.5.0 [42d2dcc6] + Referenceables v0.1.3 [ae029012] + Requires v1.3.1 [efcf1570] + Setfield v1.1.2 [276daf66] + SpecialFunctions v2.5.1 [171d559e] + SplittablesBase v0.1.15 [90137ffa] + StaticArrays v1.9.15 [1e83bf80] + StaticArraysCore v1.4.3 [3783bdb8] + TableTraits v1.0.1 [bd369af6] + Tables v1.12.1 [24d252fe] + ThreadedScans v0.1.0 [28d57a85] + Transducers v0.4.85 [1986cc42] + Unitful v1.24.0 [a7773ee8] + UnitfulAtomic v1.0.0 [c4a57d5a] + UnsafeArrays v1.0.8 [efe28fd5] + OpenSpecFun_jll v0.5.6+0 [56f22d72] + Artifacts v1.11.0 [2a0f44e3] + Base64 v1.11.0 [ade2ca70] + Dates v1.11.0 [8ba89e20] + Distributed v1.11.0 [9fa8497b] + Future v1.11.0 [b77e0a4c] + InteractiveUtils v1.11.0 [ac6e5ff7] + JuliaSyntaxHighlighting v1.12.0 [8f399da3] + Libdl v1.11.0 [37e2e46d] + LinearAlgebra v1.13.0 [56ddb016] + Logging v1.11.0 [d6f4376e] + Markdown v1.11.0 [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 [f489334b] + StyledStrings v1.11.0 [fa267f1f] + TOML v1.0.3 [8dfed614] + Test v1.11.0 [cf7118a7] + UUIDs v1.11.0 [4ec0a83e] + Unicode v1.11.0 [e66e0078] + CompilerSupportLibraries_jll v1.3.0+1 [4536629a] + OpenBLAS_jll v0.3.29+0 [05823500] + OpenLibm_jll v0.8.7+0 [8e850b90] + libblastrampoline_jll v5.13.1+0 Installation completed after 4.8s ################################################################################ # Precompilation # Precompiling PkgEval dependencies... Precompiling package dependencies... Precompilation completed after 20.19s ################################################################################ # Testing # Testing AtomsCalculatorsUtilities Status `/tmp/jl_WVy7fc/Project.toml` [a963bdd2] AtomsBase v0.5.1 [a3e0e189] AtomsCalculators v0.2.3 [9855a07e] AtomsCalculatorsUtilities v0.1.8 [8ce10254] Bumper v0.7.1 [ae650224] ChunkSplitters v3.1.2 [163ba53b] DiffResults v1.1.0 [41a02a25] Folds v0.2.10 [f6369f11] ForwardDiff v1.2.1 [2fcf5ba9] NeighbourLists v0.5.10 [90137ffa] StaticArrays v1.9.15 [1986cc42] Unitful v1.24.0 [a7773ee8] UnitfulAtomic v1.0.0 [37e2e46d] LinearAlgebra v1.13.0 [de0858da] Printf v1.11.0 [6462fe0b] Sockets v1.11.0 [8dfed614] Test v1.11.0 Status `/tmp/jl_WVy7fc/Manifest.toml` [7d9f7c33] Accessors v0.1.42 [79e6a3ab] Adapt v4.3.0 [dce04be8] ArgCheck v2.5.0 [a963bdd2] AtomsBase v0.5.1 [a3e0e189] AtomsCalculators v0.2.3 [9855a07e] AtomsCalculatorsUtilities v0.1.8 [198e06fe] BangBang v0.4.4 [9718e550] Baselet v0.1.1 [8ce10254] Bumper v0.7.1 [ae650224] ChunkSplitters v3.1.2 [bbf7d656] CommonSubexpressions v0.3.1 [34da2185] Compat v4.18.0 [a33af91c] CompositionsBase v0.1.2 [187b0558] ConstructionBase v1.6.0 [9a962f9c] DataAPI v1.16.0 [e2d170a0] DataValueInterfaces v1.0.0 [244e2a9f] DefineSingletons v0.1.2 [163ba53b] DiffResults v1.1.0 [b552c78f] DiffRules v1.15.1 [ffbed154] DocStringExtensions v0.9.5 [e189563c] ExternalDocstrings v0.1.1 [41a02a25] Folds v0.2.10 [f6369f11] ForwardDiff v1.2.1 [22cec73e] InitialValues v0.3.1 [3587e190] InverseFunctions v0.1.17 [92d709cd] IrrationalConstants v0.2.4 [82899510] IteratorInterfaceExtensions v1.0.0 [692b3bcd] JLLWrappers v1.7.1 [2ab3a3ac] LogExpFunctions v0.3.29 [1914dd2f] MacroTools v0.5.16 [128add7d] MicroCollections v0.2.0 [77ba4419] NaNMath v1.1.3 [2fcf5ba9] NeighbourLists v0.5.10 [bac558e1] OrderedCollections v1.8.1 [7b2266bf] PeriodicTable v1.2.1 [aea7be01] PrecompileTools v1.3.3 [21216c6a] Preferences v1.5.0 [42d2dcc6] Referenceables v0.1.3 [ae029012] Requires v1.3.1 [efcf1570] Setfield v1.1.2 [276daf66] SpecialFunctions v2.5.1 [171d559e] SplittablesBase v0.1.15 [90137ffa] StaticArrays v1.9.15 [1e83bf80] StaticArraysCore v1.4.3 [3783bdb8] TableTraits v1.0.1 [bd369af6] Tables v1.12.1 [24d252fe] ThreadedScans v0.1.0 [28d57a85] Transducers v0.4.85 [1986cc42] Unitful v1.24.0 [a7773ee8] UnitfulAtomic v1.0.0 [c4a57d5a] UnsafeArrays v1.0.8 [efe28fd5] OpenSpecFun_jll v0.5.6+0 [56f22d72] Artifacts v1.11.0 [2a0f44e3] Base64 v1.11.0 [ade2ca70] Dates v1.11.0 [8ba89e20] Distributed v1.11.0 [9fa8497b] Future v1.11.0 [b77e0a4c] InteractiveUtils v1.11.0 [ac6e5ff7] JuliaSyntaxHighlighting v1.12.0 [8f399da3] Libdl v1.11.0 [37e2e46d] LinearAlgebra v1.13.0 [56ddb016] Logging v1.11.0 [d6f4376e] Markdown v1.11.0 [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 [f489334b] StyledStrings v1.11.0 [fa267f1f] TOML v1.0.3 [8dfed614] Test v1.11.0 [cf7118a7] UUIDs v1.11.0 [4ec0a83e] Unicode v1.11.0 [e66e0078] CompilerSupportLibraries_jll v1.3.0+1 [4536629a] OpenBLAS_jll v0.3.29+0 [05823500] OpenLibm_jll v0.8.7+0 [8e850b90] libblastrampoline_jll v5.13.1+0 Testing Running tests... ┌ Warning: Setting virial to zeros leads to errors! Use on your own risk. └ @ AtomsCalculatorsUtilities.Calculators ~/.julia/packages/AtomsCalculatorsUtilities/2ZKtJ/src/calculators/zero_virial_calculator.jl:32 ┌ Warning: Setting virial to zeros leads to errors! Use on your own risk. └ @ AtomsCalculatorsUtilities.Calculators ~/.julia/packages/AtomsCalculatorsUtilities/2ZKtJ/src/calculators/zero_virial_calculator.jl:32 ┌ Warning: Setting virial to zeros leads to errors! Use on your own risk. └ @ AtomsCalculatorsUtilities.Calculators ~/.julia/packages/AtomsCalculatorsUtilities/2ZKtJ/src/calculators/zero_virial_calculator.jl:32 [ Info: Starting i-PI server i-PI driver and server: Error During Test at /home/pkgeval/.julia/packages/AtomsCalculatorsUtilities/2ZKtJ/test/runtests.jl:12 Got exception outside of a @test LoadError: TaskFailedException Stacktrace: [1] #wait#585 @ ./task.jl:363 [inlined] [2] wait @ ./task.jl:360 [inlined] [3] fetch(t::Task) @ Base ./task.jl:525 [4] top-level scope @ ~/.julia/packages/AtomsCalculatorsUtilities/2ZKtJ/test/test_ipi.jl:42 [5] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:309 [6] top-level scope @ ~/.julia/packages/AtomsCalculatorsUtilities/2ZKtJ/test/runtests.jl:10 [7] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [8] macro expansion @ ~/.julia/packages/AtomsCalculatorsUtilities/2ZKtJ/test/runtests.jl:12 [inlined] [9] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1952 [inlined] [10] macro expansion @ ~/.julia/packages/AtomsCalculatorsUtilities/2ZKtJ/test/runtests.jl:12 [inlined] [11] include(mapexpr::Function, mod::Module, _path::String) @ Base ./Base.jl:309 [12] top-level scope @ none:6 [13] eval(m::Module, e::Any) @ Core ./boot.jl:489 [14] exec_options(opts::Base.JLOptions) @ Base ./client.jl:296 [15] _start() @ Base ./client.jl:563 nested task error: IOError: listen: address already in use (EADDRINUSE) Stacktrace: [1] _uv_error(prefix::String, c::Int32) @ Base ./libuv.jl:114 [2] uv_error @ ./libuv.jl:113 [inlined] [3] #listen#11 @ /opt/julia/share/julia/stdlib/v1.13/Sockets/src/Sockets.jl:648 [inlined] [4] listen @ /opt/julia/share/julia/stdlib/v1.13/Sockets/src/Sockets.jl:647 [inlined] [5] listen(addr::Sockets.InetAddr{Sockets.IPv4}; backlog::Int64) @ Sockets /opt/julia/share/julia/stdlib/v1.13/Sockets/src/Sockets.jl:641 [6] listen @ /opt/julia/share/julia/stdlib/v1.13/Sockets/src/Sockets.jl:638 [inlined] [7] listen @ /opt/julia/share/julia/stdlib/v1.13/Sockets/src/Sockets.jl:645 [inlined] [8] start_ipi_server(address::Sockets.IPv4; port::Int64, unixsocket::Bool, basename::String, tries::Int64) @ AtomsCalculatorsUtilities.IPI ~/.julia/packages/AtomsCalculatorsUtilities/2ZKtJ/src/ipi/ipi_interface.jl:253 [9] start_ipi_server @ ~/.julia/packages/AtomsCalculatorsUtilities/2ZKtJ/src/ipi/ipi_interface.jl:247 [inlined] [10] _ @ ~/.julia/packages/AtomsCalculatorsUtilities/2ZKtJ/src/ipi/ipi_interface.jl:242 [inlined] ┌[11] IPIcalculator │ @ ~/.julia/packages/AtomsCalculatorsUtilities/2ZKtJ/src/ipi/ipi_interface.jl:241 [inlined] ╰──── repeated 2 times [13] (::var"#15#16")() @ Main ~/.julia/packages/AtomsCalculatorsUtilities/2ZKtJ/test/test_ipi.jl:36 in expression starting at /home/pkgeval/.julia/packages/AtomsCalculatorsUtilities/2ZKtJ/test/test_ipi.jl:42 ┌ Warning: Assignment to `calc` in soft scope is ambiguous because a global variable by the same name exists: `calc` will be treated as a new local. Disambiguate by using `local calc` to suppress this warning or `global calc` to assign to the existing global variable. └ @ ~/.julia/packages/AtomsCalculatorsUtilities/2ZKtJ/test/test_fdtests.jl:103 Forces finite-difference test ---------|----------- h | error ---------|----------- 1.0e-02 | 5.15e-02 1.0e-03 | 5.15e-03 1.0e-04 | 5.15e-04 1.0e-05 | 5.15e-05 1.0e-06 | 5.15e-06 1.0e-07 | 5.41e-07 1.0e-08 | 3.23e-07 1.0e-09 | 3.41e-06 1.0e-10 | 2.49e-05 1.0e-11 | 3.84e-04 ---------|----------- passed Virial finite-difference test ---------|----------- h | error [ Info: Server was probably closed and did not send EXIT ---------|----------- [ Info: Exiting calculator 1.0e-02 | 1.69e-02 1.0e-03 | 1.69e-03 1.0e-04 | 1.69e-04 1.0e-05 | 1.69e-05 1.0e-06 | 1.69e-06 1.0e-07 | 1.54e-07 1.0e-08 | 2.28e-07 1.0e-09 | 4.38e-06 1.0e-10 | 5.61e-05 1.0e-11 | 5.14e-04 ---------|----------- passed Forces finite-difference test ---------|----------- h | error ---------|----------- 1.0e-02 | 3.83e-01 1.0e-03 | 3.74e-01 1.0e-04 | 3.76e-01 1.0e-05 | 3.76e-01 1.0e-06 | 3.76e-01 1.0e-07 | 3.76e-01 1.0e-08 | 3.76e-01 1.0e-09 | 3.76e-01 1.0e-10 | 3.76e-01 1.0e-11 | 3.77e-01 ---------|----------- ┌ Warning: It seems the finite-difference test has failed, which indicates │ that there is an inconsistency between the function and gradient │ evaluation. Please double-check this manually / visually. (It is │ also possible that the function being tested is poorly scaled.) └ @ AtomsCalculatorsUtilities.Testing ~/.julia/packages/AtomsCalculatorsUtilities/2ZKtJ/src/testing/fdtests.jl:49 Virial finite-difference test ---------|----------- h | error ---------|----------- 1.0e-02 | 1.69e-02 1.0e-03 | 1.69e-03 1.0e-04 | 1.69e-04 1.0e-05 | 1.69e-05 1.0e-06 | 1.69e-06 1.0e-07 | 1.54e-07 1.0e-08 | 2.28e-07 1.0e-09 | 4.38e-06 1.0e-10 | 5.61e-05 1.0e-11 | 5.14e-04 ---------|----------- passed Forces finite-difference test ---------|----------- h | error ---------|----------- 1.0e-02 | 5.15e-02 1.0e-03 | 5.15e-03 1.0e-04 | 5.15e-04 1.0e-05 | 5.15e-05 1.0e-06 | 5.15e-06 1.0e-07 | 5.41e-07 1.0e-08 | 3.23e-07 1.0e-09 | 3.41e-06 1.0e-10 | 2.49e-05 1.0e-11 | 3.84e-04 ---------|----------- passed Virial finite-difference test ---------|----------- h | error ---------|----------- 1.0e-02 | 4.32e-01 1.0e-03 | 4.27e-01 1.0e-04 | 4.27e-01 1.0e-05 | 4.27e-01 1.0e-06 | 4.27e-01 1.0e-07 | 4.27e-01 1.0e-08 | 4.27e-01 1.0e-09 | 4.26e-01 1.0e-10 | 4.26e-01 1.0e-11 | 4.26e-01 ---------|----------- ┌ Warning: It seems the finite-difference test has failed, which indicates │ that there is an inconsistency between the function and gradient │ evaluation. Please double-check this manually / visually. (It is │ also possible that the function being tested is poorly scaled.) └ @ AtomsCalculatorsUtilities.Testing ~/.julia/packages/AtomsCalculatorsUtilities/2ZKtJ/src/testing/fdtests.jl:49 Forces finite-difference test ---------|----------- h | error ---------|----------- 1.0e-02 | 4.60e-02 1.0e-03 | 4.61e-03 1.0e-04 | 4.61e-04 1.0e-05 | 4.61e-05 1.0e-06 | 4.61e-06 1.0e-07 | 4.76e-07 1.0e-08 | 5.53e-07 1.0e-09 | 3.34e-06 1.0e-10 | 4.90e-05 1.0e-11 | 3.56e-04 ---------|----------- passed Virial finite-difference test ---------|----------- h | error ---------|----------- 1.0e-02 | 1.41e-02 1.0e-03 | 1.40e-03 1.0e-04 | 1.40e-04 1.0e-05 | 1.40e-05 1.0e-06 | 1.41e-06 1.0e-07 | 1.46e-07 1.0e-08 | 4.30e-07 1.0e-09 | 2.51e-06 1.0e-10 | 1.66e-05 1.0e-11 | 3.11e-04 ---------|----------- passed Forces finite-difference test ---------|----------- h | error ---------|----------- 1.0e-02 | 3.69e-01 1.0e-03 | 3.91e-01 1.0e-04 | 3.93e-01 1.0e-05 | 3.93e-01 1.0e-06 | 3.93e-01 1.0e-07 | 3.93e-01 1.0e-08 | 3.93e-01 1.0e-09 | 3.93e-01 1.0e-10 | 3.93e-01 1.0e-11 | 3.93e-01 ---------|----------- ┌ Warning: It seems the finite-difference test has failed, which indicates │ that there is an inconsistency between the function and gradient │ evaluation. Please double-check this manually / visually. (It is │ also possible that the function being tested is poorly scaled.) └ @ AtomsCalculatorsUtilities.Testing ~/.julia/packages/AtomsCalculatorsUtilities/2ZKtJ/src/testing/fdtests.jl:49 Virial finite-difference test ---------|----------- h | error ---------|----------- 1.0e-02 | 1.36e-02 1.0e-03 | 1.36e-03 1.0e-04 | 1.36e-04 1.0e-05 | 1.36e-05 1.0e-06 | 1.35e-06 1.0e-07 | 1.04e-07 1.0e-08 | 6.90e-07 1.0e-09 | 5.46e-06 1.0e-10 | 6.91e-05 1.0e-11 | 8.15e-04 ---------|----------- passed Forces finite-difference test ---------|----------- h | error ---------|----------- 1.0e-02 | 4.26e-02 1.0e-03 | 4.27e-03 1.0e-04 | 4.27e-04 1.0e-05 | 4.27e-05 1.0e-06 | 4.27e-06 1.0e-07 | 4.57e-07 1.0e-08 | 3.24e-07 1.0e-09 | 2.74e-06 1.0e-10 | 4.17e-05 1.0e-11 | 3.97e-04 ---------|----------- passed Virial finite-difference test ---------|----------- h | error ---------|----------- 1.0e-02 | 3.81e-01 1.0e-03 | 3.76e-01 1.0e-04 | 3.75e-01 1.0e-05 | 3.75e-01 1.0e-06 | 3.75e-01 1.0e-07 | 3.75e-01 1.0e-08 | 3.75e-01 1.0e-09 | 3.75e-01 1.0e-10 | 3.75e-01 1.0e-11 | 3.75e-01 ---------|----------- ┌ Warning: It seems the finite-difference test has failed, which indicates │ that there is an inconsistency between the function and gradient │ evaluation. Please double-check this manually / visually. (It is │ also possible that the function being tested is poorly scaled.) └ @ AtomsCalculatorsUtilities.Testing ~/.julia/packages/AtomsCalculatorsUtilities/2ZKtJ/src/testing/fdtests.jl:49 ┌ Warning: Assignment to `calc` in soft scope is ambiguous because a global variable by the same name exists: `calc` will be treated as a new local. Disambiguate by using `local calc` to suppress this warning or `global calc` to assign to the existing global variable. └ @ ~/.julia/packages/AtomsCalculatorsUtilities/2ZKtJ/test/test_fdtests.jl:125 Forces finite-difference test ---------|----------- h | error ---------|----------- 1.0e-02 | 5.32e-02 1.0e-03 | 5.33e-03 1.0e-04 | 5.33e-04 1.0e-05 | 5.33e-05 1.0e-06 | 5.34e-06 1.0e-07 | 5.32e-07 1.0e-08 | 2.96e-07 1.0e-09 | 3.24e-06 1.0e-10 | 2.99e-05 1.0e-11 | 2.78e-04 ---------|----------- passed Forces finite-difference test ---------|----------- h | error ---------|----------- 1.0e-02 | 4.91e-01 1.0e-03 | 4.72e-01 1.0e-04 | 4.70e-01 1.0e-05 | 4.70e-01 1.0e-06 | 4.70e-01 1.0e-07 | 4.70e-01 1.0e-08 | 4.70e-01 1.0e-09 | 4.70e-01 1.0e-10 | 4.70e-01 1.0e-11 | 4.70e-01 ---------|----------- ┌ Warning: It seems the finite-difference test has failed, which indicates │ that there is an inconsistency between the function and gradient │ evaluation. Please double-check this manually / visually. (It is │ also possible that the function being tested is poorly scaled.) └ @ AtomsCalculatorsUtilities.Testing ~/.julia/packages/AtomsCalculatorsUtilities/2ZKtJ/src/testing/fdtests.jl:49 Forces finite-difference test ---------|----------- h | error ---------|----------- 1.0e-02 | 4.64e-02 1.0e-03 | 4.64e-03 1.0e-04 | 4.65e-04 1.0e-05 | 4.65e-05 1.0e-06 | 4.65e-06 1.0e-07 | 4.74e-07 1.0e-08 | 3.85e-07 1.0e-09 | 3.78e-06 1.0e-10 | 3.04e-05 1.0e-11 | 3.99e-04 ---------|----------- passed Forces finite-difference test ---------|----------- h | error ---------|----------- 1.0e-02 | 4.66e-01 1.0e-03 | 4.50e-01 1.0e-04 | 4.49e-01 1.0e-05 | 4.49e-01 1.0e-06 | 4.49e-01 1.0e-07 | 4.49e-01 1.0e-08 | 4.49e-01 1.0e-09 | 4.49e-01 1.0e-10 | 4.49e-01 1.0e-11 | 4.49e-01 ---------|----------- ┌ Warning: It seems the finite-difference test has failed, which indicates │ that there is an inconsistency between the function and gradient │ evaluation. Please double-check this manually / visually. (It is │ also possible that the function being tested is poorly scaled.) └ @ AtomsCalculatorsUtilities.Testing ~/.julia/packages/AtomsCalculatorsUtilities/2ZKtJ/src/testing/fdtests.jl:49 Forces finite-difference test ---------|----------- h | error ---------|----------- 1.0e-02 | 5.93e-02 1.0e-03 | 5.93e-03 1.0e-04 | 5.93e-04 1.0e-05 | 5.93e-05 1.0e-06 | 5.93e-06 1.0e-07 | 5.75e-07 1.0e-08 | 3.15e-07 1.0e-09 | 4.32e-06 1.0e-10 | 4.52e-05 1.0e-11 | 3.32e-04 ---------|----------- ┌ Warning: It seems the finite-difference test has failed, which indicates │ that there is an inconsistency between the function and gradient │ evaluation. Please double-check this manually / visually. (It is │ also possible that the function being tested is poorly scaled.) └ @ AtomsCalculatorsUtilities.Testing ~/.julia/packages/AtomsCalculatorsUtilities/2ZKtJ/src/testing/fdtests.jl:49 Virial finite-difference test ---------|----------- h | error ---------|----------- 1.0e-02 | 2.38e-02 1.0e-03 | 2.37e-03 1.0e-04 | 2.37e-04 1.0e-05 | 2.37e-05 1.0e-06 | 2.37e-06 1.0e-07 | 2.25e-07 1.0e-08 | 6.51e-07 1.0e-09 | 5.53e-06 1.0e-10 | 5.14e-05 1.0e-11 | 7.62e-04 ---------|----------- ┌ Warning: It seems the finite-difference test has failed, which indicates │ that there is an inconsistency between the function and gradient │ evaluation. Please double-check this manually / visually. (It is │ also possible that the function being tested is poorly scaled.) └ @ AtomsCalculatorsUtilities.Testing ~/.julia/packages/AtomsCalculatorsUtilities/2ZKtJ/src/testing/fdtests.jl:49 Forces finite-difference test ---------|----------- h | error ---------|----------- 1.0e-02 | 5.97e-02 1.0e-03 | 5.96e-03 1.0e-04 | 5.96e-04 1.0e-05 | 5.96e-05 1.0e-06 | 5.96e-06 1.0e-07 | 6.02e-07 1.0e-08 | 2.20e-07 1.0e-09 | 4.44e-06 1.0e-10 | 3.46e-05 1.0e-11 | 4.21e-04 ---------|----------- passed Virial finite-difference test ---------|----------- h | error ---------|----------- 1.0e-02 | 2.61e-02 1.0e-03 | 2.61e-03 1.0e-04 | 2.61e-04 1.0e-05 | 2.61e-05 1.0e-06 | 2.61e-06 1.0e-07 | 2.33e-07 1.0e-08 | 5.69e-07 1.0e-09 | 5.41e-06 1.0e-10 | 4.55e-05 1.0e-11 | 5.26e-04 ---------|----------- passed unit((position(sys, 1))[1]) = Å unit(((D.forces(sys, calc))[1])[1]) = eV nm^-1 unit(h0) = m Forces finite-difference test ---------|----------- h | error ---------|----------- 1.0e-03 | 4.73e-03 1.0e-04 | 4.74e-04 1.0e-05 | 4.74e-05 1.0e-06 | 4.74e-06 1.0e-07 | 4.50e-07 1.0e-08 | 3.47e-07 1.0e-09 | 2.13e-06 1.0e-10 | 2.13e-05 1.0e-11 | 2.20e-04 1.0e-12 | 2.88e-03 ---------|----------- passed Virial finite-difference test ---------|----------- h | error ---------|----------- 1.0e-02 | 3.10e-02 1.0e-03 | 3.10e-03 1.0e-04 | 3.10e-04 1.0e-05 | 3.10e-05 1.0e-06 | 3.10e-06 1.0e-07 | 2.98e-07 1.0e-08 | 3.65e-07 1.0e-09 | 2.53e-06 1.0e-10 | 2.56e-05 1.0e-11 | 3.10e-04 ---------|----------- passed Test Summary: | Pass Error Total Time AtomsCalculatorsUtilities.jl | 395 1 396 1m40.6s Calculators | 312 312 51.9s PairPotentials | 59 59 21.0s i-PI driver and server | 1 1 6.5s FD Tests | 24 24 21.0s RNG of the outermost testset: Random.Xoshiro(0xa27430fb1dd8fc4f, 0x0a9ea600a6fca19e, 0x27012f1110f06c39, 0x81bb72a739d3fb96, 0x117630e4fc4cdf60) ERROR: LoadError: Some tests did not pass: 395 passed, 0 failed, 1 errored, 0 broken. in expression starting at /home/pkgeval/.julia/packages/AtomsCalculatorsUtilities/2ZKtJ/test/runtests.jl:9 Testing failed after 117.47s ERROR: LoadError: Package AtomsCalculatorsUtilities errored during testing Stacktrace: [1] pkgerror(msg::String) @ Pkg.Types /opt/julia/share/julia/stdlib/v1.13/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/v1.13/Pkg/src/Operations.jl:2673 [3] test @ /opt/julia/share/julia/stdlib/v1.13/Pkg/src/Operations.jl:2522 [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/v1.13/Pkg/src/API.jl:538 [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/v1.13/Pkg/src/API.jl:515 [6] test(pkgs::Vector{PackageSpec}; io::IOContext{IO}, kwargs::@Kwargs{julia_args::Cmd}) @ Pkg.API /opt/julia/share/julia/stdlib/v1.13/Pkg/src/API.jl:168 [7] kwcall(::@NamedTuple{julia_args::Cmd}, ::typeof(Pkg.API.test), pkgs::Vector{PackageSpec}) @ Pkg.API /opt/julia/share/julia/stdlib/v1.13/Pkg/src/API.jl:157 [8] test(pkgs::Vector{String}; kwargs::@Kwargs{julia_args::Cmd}) @ Pkg.API /opt/julia/share/julia/stdlib/v1.13/Pkg/src/API.jl:156 [9] test @ /opt/julia/share/julia/stdlib/v1.13/Pkg/src/API.jl:156 [inlined] [10] kwcall(::@NamedTuple{julia_args::Cmd}, ::typeof(Pkg.API.test), pkg::String) @ Pkg.API /opt/julia/share/julia/stdlib/v1.13/Pkg/src/API.jl:155 [11] top-level scope @ /PkgEval.jl/scripts/evaluate.jl:219 [12] include(mod::Module, _path::String) @ Base ./Base.jl:308 [13] exec_options(opts::Base.JLOptions) @ Base ./client.jl:330 [14] _start() @ Base ./client.jl:563 in expression starting at /PkgEval.jl/scripts/evaluate.jl:210 PkgEval failed after 169.05s: networking-related issues were detected