Package evaluation of AtomsCalculatorsUtilities on Julia 1.11.4 (a71dd056e0*) started at 2025-04-08T17:03:15.057 ################################################################################ # Set-up # Installing PkgEval dependencies (TestEnv)... Set-up completed after 11.89s ################################################################################ # Installation # Installing AtomsCalculatorsUtilities... Resolving package versions... Installed IrrationalConstants ────────────── v0.2.4 Installed Adapt ──────────────────────────── v4.3.0 Installed BitTwiddlingConvenienceFunctions ─ v0.1.6 Installed SIMDTypes ──────────────────────── v0.1.0 Installed DiffRules ──────────────────────── v1.15.1 Installed OffsetArrays ───────────────────── v1.16.0 Installed StrideArraysCore ───────────────── v0.5.7 Installed ArgCheck ───────────────────────── v2.5.0 Installed LayoutPointers ─────────────────── v0.1.17 Installed VectorizationBase ──────────────── v0.21.71 Installed AtomsCalculatorsUtilities ──────── v0.1.7 Installed CpuId ──────────────────────────── v0.3.1 Installed Bumper ─────────────────────────── v0.7.1 Installed TableTraits ────────────────────── v1.0.1 Installed Preferences ────────────────────── v1.4.3 Installed Accessors ──────────────────────── v0.1.42 Installed AtomsBase ──────────────────────── v0.5.1 Installed VectorizedRNG ──────────────────── v0.2.25 Installed Transducers ────────────────────── v0.4.84 Installed DiffResults ────────────────────── v1.1.0 Installed CPUSummary ─────────────────────── v0.2.6 Installed SpecialFunctions ───────────────── v2.5.0 Installed Unitful ────────────────────────── v1.22.0 Installed Tables ─────────────────────────── v1.12.0 Installed NeighbourLists ─────────────────── v0.5.10 Installed Referenceables ─────────────────── v0.1.3 Installed AtomsCalculators ───────────────── v0.2.3 Installed IfElse ─────────────────────────── v0.1.1 Installed DataAPI ────────────────────────── v1.16.0 Installed Setfield ───────────────────────── v1.1.2 Installed Octavian ───────────────────────── v0.3.28 Installed ChunkSplitters ─────────────────── v3.1.2 Installed Baselet ────────────────────────── v0.1.1 Installed NaNMath ────────────────────────── v1.1.3 Installed StaticArraysCore ───────────────── v1.4.3 Installed JLLWrappers ────────────────────── v1.7.0 Installed StaticArrays ───────────────────── v1.9.13 Installed IteratorInterfaceExtensions ────── v1.0.0 Installed LoopVectorization ──────────────── v0.12.172 Installed PrecompileTools ────────────────── v1.2.1 Installed ConstructionBase ───────────────── v1.5.8 Installed DataValueInterfaces ────────────── v1.0.0 Installed OrderedCollections ─────────────── v1.8.0 Installed HostCPUFeatures ────────────────── v0.1.17 Installed ThreadingUtilities ─────────────── v0.5.2 Installed DefineSingletons ───────────────── v0.1.2 Installed ManualMemory ───────────────────── v0.1.8 Installed MicroCollections ───────────────── v0.2.0 Installed PolyesterWeave ─────────────────── v0.2.2 Installed ExternalDocstrings ─────────────── v0.1.1 Installed ArrayInterface ─────────────────── v7.18.0 Installed UnsafeArrays ───────────────────── v1.0.7 Installed InitialValues ──────────────────── v0.3.1 Installed ForwardDiff ────────────────────── v0.10.38 Installed UnitfulAtomic ──────────────────── v1.0.0 Installed VectorizedStatistics ───────────── v0.5.10 Installed SplittablesBase ────────────────── v0.1.15 Installed Requires ───────────────────────── v1.3.1 Installed LogExpFunctions ────────────────── v0.3.29 Installed Statistics ─────────────────────── v1.11.1 Installed CommonSubexpressions ───────────── v0.3.1 Installed CloseOpenIntervals ─────────────── v0.1.13 Installed Compat ─────────────────────────── v4.16.0 Installed Static ─────────────────────────── v1.2.0 Installed MacroTools ─────────────────────── v0.5.15 Installed CompositionsBase ───────────────── v0.1.2 Installed SLEEFPirates ───────────────────── v0.6.43 Installed OpenSpecFun_jll ────────────────── v0.5.6+0 Installed UnPack ─────────────────────────── v1.0.2 Installed BangBang ───────────────────────── v0.4.4 Installed CommonWorldInvalidations ───────── v1.0.0 Installed InverseFunctions ───────────────── v0.1.17 Installed StaticArrayInterface ───────────── v1.8.0 Installed DocStringExtensions ────────────── v0.9.4 Installed Folds ──────────────────────────── v0.2.10 Installed ThreadedScans ──────────────────── v0.1.0 Installed PeriodicTable ──────────────────── v1.2.1 Installed StrideArrays ───────────────────── v0.1.29 Updating `~/.julia/environments/v1.11/Project.toml` [9855a07e] + AtomsCalculatorsUtilities v0.1.7 Updating `~/.julia/environments/v1.11/Manifest.toml` [7d9f7c33] + Accessors v0.1.42 [79e6a3ab] + Adapt v4.3.0 [dce04be8] + ArgCheck v2.5.0 [4fba245c] + ArrayInterface v7.18.0 [a963bdd2] + AtomsBase v0.5.1 [a3e0e189] + AtomsCalculators v0.2.3 [9855a07e] + AtomsCalculatorsUtilities v0.1.7 [198e06fe] + BangBang v0.4.4 [9718e550] + Baselet v0.1.1 [62783981] + BitTwiddlingConvenienceFunctions v0.1.6 [8ce10254] + Bumper v0.7.1 [2a0fbf3d] + CPUSummary v0.2.6 [ae650224] + ChunkSplitters v3.1.2 [fb6a15b2] + CloseOpenIntervals v0.1.13 [bbf7d656] + CommonSubexpressions v0.3.1 [f70d9fcc] + CommonWorldInvalidations v1.0.0 [34da2185] + Compat v4.16.0 [a33af91c] + CompositionsBase v0.1.2 [187b0558] + ConstructionBase v1.5.8 [adafc99b] + CpuId v0.3.1 [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 v0.9.4 [e189563c] + ExternalDocstrings v0.1.1 [41a02a25] + Folds v0.2.10 ⌅ [f6369f11] + ForwardDiff v0.10.38 [3e5b6fbb] + HostCPUFeatures v0.1.17 [615f187c] + IfElse v0.1.1 [22cec73e] + InitialValues v0.3.1 [3587e190] + InverseFunctions v0.1.17 [92d709cd] + IrrationalConstants v0.2.4 [82899510] + IteratorInterfaceExtensions v1.0.0 [692b3bcd] + JLLWrappers v1.7.0 [10f19ff3] + LayoutPointers v0.1.17 [2ab3a3ac] + LogExpFunctions v0.3.29 [bdcacae8] + LoopVectorization v0.12.172 [1914dd2f] + MacroTools v0.5.15 [d125e4d3] + ManualMemory v0.1.8 [128add7d] + MicroCollections v0.2.0 [77ba4419] + NaNMath v1.1.3 [2fcf5ba9] + NeighbourLists v0.5.10 [6fd5a793] + Octavian v0.3.28 [6fe1bfb0] + OffsetArrays v1.16.0 [bac558e1] + OrderedCollections v1.8.0 [7b2266bf] + PeriodicTable v1.2.1 [1d0040c9] + PolyesterWeave v0.2.2 ⌅ [aea7be01] + PrecompileTools v1.2.1 [21216c6a] + Preferences v1.4.3 [42d2dcc6] + Referenceables v0.1.3 [ae029012] + Requires v1.3.1 [94e857df] + SIMDTypes v0.1.0 [476501e8] + SLEEFPirates v0.6.43 [efcf1570] + Setfield v1.1.2 [276daf66] + SpecialFunctions v2.5.0 [171d559e] + SplittablesBase v0.1.15 [aedffcd0] + Static v1.2.0 [0d7ed370] + StaticArrayInterface v1.8.0 [90137ffa] + StaticArrays v1.9.13 [1e83bf80] + StaticArraysCore v1.4.3 [10745b16] + Statistics v1.11.1 [d1fa6d79] + StrideArrays v0.1.29 [7792a7ef] + StrideArraysCore v0.5.7 [3783bdb8] + TableTraits v1.0.1 [bd369af6] + Tables v1.12.0 [24d252fe] + ThreadedScans v0.1.0 [8290d209] + ThreadingUtilities v0.5.2 [28d57a85] + Transducers v0.4.84 [3a884ed6] + UnPack v1.0.2 [1986cc42] + Unitful v1.22.0 [a7773ee8] + UnitfulAtomic v1.0.0 [c4a57d5a] + UnsafeArrays v1.0.7 [3d5dd08c] + VectorizationBase v0.21.71 [33b4df10] + VectorizedRNG v0.2.25 [3b853605] + VectorizedStatistics v0.5.10 [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 [8f399da3] + Libdl v1.11.0 [37e2e46d] + LinearAlgebra v1.11.0 [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 [fa267f1f] + TOML v1.0.3 [8dfed614] + Test v1.11.0 [cf7118a7] + UUIDs v1.11.0 [4ec0a83e] + Unicode v1.11.0 [e66e0078] + CompilerSupportLibraries_jll v1.1.1+0 [4536629a] + OpenBLAS_jll v0.3.27+1 [05823500] + OpenLibm_jll v0.8.5+0 [8e850b90] + libblastrampoline_jll v5.11.0+0 Info Packages marked with ⌅ have new versions available but compatibility constraints restrict them from upgrading. To see why use `status --outdated -m` Installation completed after 5.51s ################################################################################ # Precompilation # Precompiling PkgEval dependencies... Precompiling project... 3044.9 ms ✓ TestEnv 1 dependency successfully precompiled in 3 seconds. 23 already precompiled. Precompiling package dependencies... Precompilation completed after 390.89s ################################################################################ # Testing # Testing AtomsCalculatorsUtilities Status `/tmp/jl_TA5hqF/Project.toml` [a963bdd2] AtomsBase v0.5.1 [a3e0e189] AtomsCalculators v0.2.3 [9855a07e] AtomsCalculatorsUtilities v0.1.7 [8ce10254] Bumper v0.7.1 [ae650224] ChunkSplitters v3.1.2 [163ba53b] DiffResults v1.1.0 [41a02a25] Folds v0.2.10 ⌅ [f6369f11] ForwardDiff v0.10.38 [2fcf5ba9] NeighbourLists v0.5.10 [90137ffa] StaticArrays v1.9.13 [d1fa6d79] StrideArrays v0.1.29 [1986cc42] Unitful v1.22.0 [a7773ee8] UnitfulAtomic v1.0.0 [37e2e46d] LinearAlgebra v1.11.0 [de0858da] Printf v1.11.0 [6462fe0b] Sockets v1.11.0 [8dfed614] Test v1.11.0 Status `/tmp/jl_TA5hqF/Manifest.toml` [7d9f7c33] Accessors v0.1.42 [79e6a3ab] Adapt v4.3.0 [dce04be8] ArgCheck v2.5.0 [4fba245c] ArrayInterface v7.18.0 [a963bdd2] AtomsBase v0.5.1 [a3e0e189] AtomsCalculators v0.2.3 [9855a07e] AtomsCalculatorsUtilities v0.1.7 [198e06fe] BangBang v0.4.4 [9718e550] Baselet v0.1.1 [62783981] BitTwiddlingConvenienceFunctions v0.1.6 [8ce10254] Bumper v0.7.1 [2a0fbf3d] CPUSummary v0.2.6 [ae650224] ChunkSplitters v3.1.2 [fb6a15b2] CloseOpenIntervals v0.1.13 [bbf7d656] CommonSubexpressions v0.3.1 [f70d9fcc] CommonWorldInvalidations v1.0.0 [34da2185] Compat v4.16.0 [a33af91c] CompositionsBase v0.1.2 [187b0558] ConstructionBase v1.5.8 [adafc99b] CpuId v0.3.1 [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 v0.9.4 [e189563c] ExternalDocstrings v0.1.1 [41a02a25] Folds v0.2.10 ⌅ [f6369f11] ForwardDiff v0.10.38 [3e5b6fbb] HostCPUFeatures v0.1.17 [615f187c] IfElse v0.1.1 [22cec73e] InitialValues v0.3.1 [3587e190] InverseFunctions v0.1.17 [92d709cd] IrrationalConstants v0.2.4 [82899510] IteratorInterfaceExtensions v1.0.0 [692b3bcd] JLLWrappers v1.7.0 [10f19ff3] LayoutPointers v0.1.17 [2ab3a3ac] LogExpFunctions v0.3.29 [bdcacae8] LoopVectorization v0.12.172 [1914dd2f] MacroTools v0.5.15 [d125e4d3] ManualMemory v0.1.8 [128add7d] MicroCollections v0.2.0 [77ba4419] NaNMath v1.1.3 [2fcf5ba9] NeighbourLists v0.5.10 [6fd5a793] Octavian v0.3.28 [6fe1bfb0] OffsetArrays v1.16.0 [bac558e1] OrderedCollections v1.8.0 [7b2266bf] PeriodicTable v1.2.1 [1d0040c9] PolyesterWeave v0.2.2 ⌅ [aea7be01] PrecompileTools v1.2.1 [21216c6a] Preferences v1.4.3 [42d2dcc6] Referenceables v0.1.3 [ae029012] Requires v1.3.1 [94e857df] SIMDTypes v0.1.0 [476501e8] SLEEFPirates v0.6.43 [efcf1570] Setfield v1.1.2 [276daf66] SpecialFunctions v2.5.0 [171d559e] SplittablesBase v0.1.15 [aedffcd0] Static v1.2.0 [0d7ed370] StaticArrayInterface v1.8.0 [90137ffa] StaticArrays v1.9.13 [1e83bf80] StaticArraysCore v1.4.3 [10745b16] Statistics v1.11.1 [d1fa6d79] StrideArrays v0.1.29 [7792a7ef] StrideArraysCore v0.5.7 [3783bdb8] TableTraits v1.0.1 [bd369af6] Tables v1.12.0 [24d252fe] ThreadedScans v0.1.0 [8290d209] ThreadingUtilities v0.5.2 [28d57a85] Transducers v0.4.84 [3a884ed6] UnPack v1.0.2 [1986cc42] Unitful v1.22.0 [a7773ee8] UnitfulAtomic v1.0.0 [c4a57d5a] UnsafeArrays v1.0.7 [3d5dd08c] VectorizationBase v0.21.71 [33b4df10] VectorizedRNG v0.2.25 [3b853605] VectorizedStatistics v0.5.10 [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 [8f399da3] Libdl v1.11.0 [37e2e46d] LinearAlgebra v1.11.0 [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 [fa267f1f] TOML v1.0.3 [8dfed614] Test v1.11.0 [cf7118a7] UUIDs v1.11.0 [4ec0a83e] Unicode v1.11.0 [e66e0078] CompilerSupportLibraries_jll v1.1.1+0 [4536629a] OpenBLAS_jll v0.3.27+1 [05823500] OpenLibm_jll v0.8.5+0 [8e850b90] libblastrampoline_jll v5.11.0+0 Info Packages marked with ⌅ have new versions available but compatibility constraints restrict them from upgrading. Testing Running tests... ┌ Warning: Setting virial to zeros leads to errors! Use on your own risk. └ @ AtomsCalculatorsUtilities.Calculators ~/.julia/packages/AtomsCalculatorsUtilities/J2cfU/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/J2cfU/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/J2cfU/src/calculators/zero_virial_calculator.jl:32 [ Info: Starting i-PI server ┌ Info: Sending message └ message = "STATUS" ┌ Info: Recieved message └ message = "STATUS" ┌ Info: Sending message └ message = "READY" ┌ Info: Recieved message └ message = "READY" ┌ Info: Sending message └ message = "POSDATA" [ Info: Sending position data ┌ Info: Recieved message └ message = "POSDATA" [ Info: Position data recieved [ Info: Position data sent ┌ Info: Sending message └ message = "STATUS" ┌ Info: Recieved message └ message = "STATUS" ┌ Info: Sending message └ message = "HAVEDATA" ┌ Info: Recieved message └ message = "HAVEDATA" ┌ Info: Sending message └ message = "GETFORCE" ┌ Info: Recieved message └ message = "GETFORCE" ┌ Info: Sending message └ message = "FORCEREADY" ┌ Info: Recieved message └ message = "FORCEREADY" [ Info: Recieving forces ┌ Info: Sending message └ message = "POSDATA" [ Info: Sending position data ┌ Info: Recieved message └ message = "POSDATA" [ Info: Position data recieved [ Info: Position data sent ┌ Info: Sending message └ message = "STATUS" ┌ Info: Recieved message └ message = "STATUS" ┌ Info: Sending message └ message = "HAVEDATA" ┌ Info: Recieved message └ message = "HAVEDATA" ┌ Info: Sending message └ message = "GETFORCE" ┌ Info: Recieved message └ message = "GETFORCE" ┌ Info: Sending message └ message = "FORCEREADY" ┌ Info: Recieved message └ message = "FORCEREADY" [ Info: Recieving forces ┌ Info: Sending message └ message = "POSDATA" [ Info: Sending position data ┌ Info: Recieved message └ message = "POSDATA" [ Info: Position data sent ┌ Info: Sending message └ message = "STATUS" [ Info: Position data recieved ┌ Info: Recieved message └ message = "STATUS" ┌ Info: Sending message └ message = "HAVEDATA" ┌ Info: Recieved message └ message = "HAVEDATA" ┌ Info: Sending message └ message = "GETFORCE" ┌ Info: Recieved message └ message = "GETFORCE" ┌ Info: Sending message └ message = "FORCEREADY" ┌ Info: Recieved message └ message = "FORCEREADY" [ Info: Recieving forces ┌ Info: Sending message └ message = "POSDATA" [ Info: Sending position data ┌ Info: Recieved message └ message = "POSDATA" [ Info: Position data sent ┌ Info: Sending message └ message = "STATUS" [ Info: Position data recieved ┌ Info: Recieved message └ message = "STATUS" ┌ Info: Sending message └ message = "HAVEDATA" ┌ Info: Recieved message └ message = "HAVEDATA" ┌ Info: Sending message └ message = "GETFORCE" ┌ Info: Recieved message └ message = "GETFORCE" ┌ Info: Sending message └ message = "FORCEREADY" ┌ Info: Recieved message └ message = "FORCEREADY" [ Info: Recieving forces ┌ Info: Sending message └ message = "POSDATA" [ Info: Sending position data ┌ Info: Recieved message └ message = "POSDATA" [ Info: Position data sent ┌ Info: Sending message └ message = "STATUS" [ Info: Position data recieved ┌ Info: Recieved message └ message = "STATUS" ┌ Info: Sending message └ message = "HAVEDATA" ┌ Info: Recieved message └ message = "HAVEDATA" ┌ Info: Sending message └ message = "GETFORCE" ┌ Info: Recieved message └ message = "GETFORCE" ┌ Info: Sending message └ message = "FORCEREADY" ┌ Info: Recieved message └ message = "FORCEREADY" [ Info: Recieving forces ┌ Info: Sending message └ message = "POSDATA" [ Info: Sending position data ┌ Info: Recieved message └ message = "POSDATA" [ Info: Position data sent ┌ Info: Sending message └ message = "STATUS" [ Info: Position data recieved ┌ Info: Recieved message └ message = "STATUS" ┌ Info: Sending message └ message = "HAVEDATA" ┌ Info: Recieved message └ message = "HAVEDATA" ┌ Info: Sending message └ message = "GETFORCE" ┌ Info: Recieved message └ message = "GETFORCE" ┌ Info: Sending message └ message = "FORCEREADY" ┌ Info: Recieved message └ message = "FORCEREADY" [ Info: Recieving forces ┌ Info: Sending message └ message = "POSDATA" [ Info: Sending position data ┌ Info: Recieved message └ message = "POSDATA" [ Info: Position data sent ┌ Info: Sending message └ message = "STATUS" [ Info: Position data recieved ┌ Info: Recieved message └ message = "STATUS" ┌ Info: Sending message └ message = "HAVEDATA" ┌ Info: Recieved message └ message = "HAVEDATA" ┌ Info: Sending message └ message = "GETFORCE" ┌ Info: Recieved message └ message = "GETFORCE" ┌ Info: Sending message └ message = "FORCEREADY" ┌ Info: Recieved message └ message = "FORCEREADY" [ Info: Recieving forces ┌ Info: Sending message └ message = "POSDATA" [ Info: Sending position data ┌ Info: Recieved message └ message = "POSDATA" [ Info: Position data sent ┌ Info: Sending message └ message = "STATUS" [ Info: Position data recieved ┌ Info: Recieved message └ message = "STATUS" ┌ Info: Sending message └ message = "HAVEDATA" ┌ Info: Recieved message └ message = "HAVEDATA" ┌ Info: Sending message └ message = "GETFORCE" ┌ Info: Recieved message └ message = "GETFORCE" ┌ Info: Sending message └ message = "FORCEREADY" ┌ Info: Recieved message └ message = "FORCEREADY" [ Info: Recieving forces ┌ Info: Sending message └ message = "POSDATA" [ Info: Sending position data ┌ Info: Recieved message └ message = "POSDATA" [ Info: Position data sent ┌ Info: Sending message └ message = "STATUS" [ Info: Position data recieved ┌ Info: Recieved message └ message = "STATUS" ┌ Info: Sending message └ message = "HAVEDATA" ┌ Info: Recieved message └ message = "HAVEDATA" ┌ Info: Sending message └ message = "GETFORCE" ┌ Info: Recieved message └ message = "GETFORCE" ┌ Info: Sending message └ message = "FORCEREADY" ┌ Info: Recieved message └ message = "FORCEREADY" [ Info: Recieving forces ┌ Info: Sending message └ message = "POSDATA" [ Info: Sending position data ┌ Info: Recieved message └ message = "POSDATA" [ Info: Position data sent ┌ Info: Sending message └ message = "STATUS" [ Info: Position data recieved ┌ Info: Recieved message └ message = "STATUS" ┌ Info: Sending message └ message = "HAVEDATA" ┌ Info: Recieved message └ message = "HAVEDATA" ┌ Info: Sending message └ message = "GETFORCE" ┌ Info: Recieved message └ message = "GETFORCE" ┌ Info: Sending message └ message = "FORCEREADY" ┌ Info: Recieved message └ message = "FORCEREADY" [ Info: Recieving forces ┌ Info: Sending message └ message = "POSDATA" [ Info: Sending position data ┌ Info: Recieved message └ message = "POSDATA" [ Info: Position data sent ┌ Info: Sending message └ message = "STATUS" [ Info: Position data recieved ┌ Info: Recieved message └ message = "STATUS" ┌ Info: Sending message └ message = "HAVEDATA" ┌ Info: Recieved message └ message = "HAVEDATA" ┌ Info: Sending message └ message = "GETFORCE" ┌ Info: Recieved message └ message = "GETFORCE" ┌ Info: Sending message └ message = "FORCEREADY" ┌ Info: Recieved message └ message = "FORCEREADY" [ Info: Recieving forces ┌ Info: Sending message └ message = "POSDATA" [ Info: Sending position data ┌ Info: Recieved message └ message = "POSDATA" [ Info: Position data sent ┌ Info: Sending message └ message = "STATUS" [ Info: Position data recieved ┌ Info: Recieved message └ message = "STATUS" ┌ Info: Sending message └ message = "HAVEDATA" ┌ Info: Recieved message └ message = "HAVEDATA" ┌ Info: Sending message └ message = "GETFORCE" ┌ Info: Recieved message └ message = "GETFORCE" ┌ Info: Sending message └ message = "FORCEREADY" ┌ Info: Recieved message └ message = "FORCEREADY" [ Info: Recieving forces ┌ Info: Sending message └ message = "POSDATA" [ Info: Sending position data ┌ Info: Recieved message └ message = "POSDATA" [ Info: Position data sent ┌ Info: Sending message └ message = "STATUS" [ Info: Position data recieved ┌ Info: Recieved message └ message = "STATUS" ┌ Info: Sending message └ message = "HAVEDATA" ┌ Info: Recieved message └ message = "HAVEDATA" ┌ Info: Sending message └ message = "GETFORCE" ┌ Info: Recieved message └ message = "GETFORCE" ┌ Info: Sending message └ message = "FORCEREADY" ┌ Info: Recieved message └ message = "FORCEREADY" [ Info: Recieving forces ┌ Info: Sending message └ message = "POSDATA" [ Info: Sending position data ┌ Info: Recieved message └ message = "POSDATA" [ Info: Position data sent ┌ Info: Sending message └ message = "STATUS" [ Info: Position data recieved ┌ Info: Recieved message └ message = "STATUS" ┌ Info: Sending message └ message = "HAVEDATA" ┌ Info: Recieved message └ message = "HAVEDATA" ┌ Info: Sending message └ message = "GETFORCE" ┌ Info: Recieved message └ message = "GETFORCE" ┌ Info: Sending message └ message = "FORCEREADY" ┌ Info: Recieved message └ message = "FORCEREADY" [ Info: Recieving forces ┌ Info: Sending message └ message = "POSDATA" [ Info: Sending position data ┌ Info: Recieved message └ message = "POSDATA" [ Info: Position data sent ┌ Info: Sending message └ message = "STATUS" [ Info: Position data recieved ┌ Info: Recieved message └ message = "STATUS" ┌ Info: Sending message └ message = "HAVEDATA" ┌ Info: Recieved message └ message = "HAVEDATA" ┌ Info: Sending message └ message = "GETFORCE" ┌ Info: Recieved message └ message = "GETFORCE" ┌ Info: Sending message └ message = "FORCEREADY" ┌ Info: Recieved message └ message = "FORCEREADY" [ Info: Recieving forces ┌ Info: Sending message └ message = "POSDATA" [ Info: Sending position data ┌ Info: Recieved message └ message = "POSDATA" [ Info: Position data sent ┌ Info: Sending message └ message = "STATUS" [ Info: Position data recieved ┌ Info: Recieved message └ message = "STATUS" ┌ Info: Sending message └ message = "HAVEDATA" ┌ Info: Recieved message └ message = "HAVEDATA" ┌ Info: Sending message └ message = "GETFORCE" ┌ Info: Recieved message └ message = "GETFORCE" ┌ Info: Sending message └ message = "FORCEREADY" ┌ Info: Recieved message └ message = "FORCEREADY" [ Info: Recieving forces ┌ Info: Sending message └ message = "POSDATA" [ Info: Sending position data ┌ Info: Recieved message └ message = "POSDATA" [ Info: Position data sent ┌ Info: Sending message └ message = "STATUS" [ Info: Position data recieved ┌ Info: Recieved message └ message = "STATUS" ┌ Info: Sending message └ message = "HAVEDATA" ┌ Info: Recieved message └ message = "HAVEDATA" ┌ Info: Sending message └ message = "GETFORCE" ┌ Info: Recieved message └ message = "GETFORCE" ┌ Info: Sending message └ message = "FORCEREADY" ┌ Info: Recieved message └ message = "FORCEREADY" [ Info: Recieving forces ┌ Info: Sending message └ message = "POSDATA" [ Info: Sending position data ┌ Info: Recieved message └ message = "POSDATA" [ Info: Position data sent ┌ Info: Sending message └ message = "STATUS" [ Info: Position data recieved ┌ Info: Recieved message └ message = "STATUS" ┌ Info: Sending message └ message = "HAVEDATA" ┌ Info: Recieved message └ message = "HAVEDATA" ┌ Info: Sending message └ message = "GETFORCE" ┌ Info: Recieved message └ message = "GETFORCE" ┌ Info: Sending message └ message = "FORCEREADY" ┌ Info: Recieved message └ message = "FORCEREADY" [ Info: Recieving forces ┌ Info: Sending message └ message = "POSDATA" [ Info: Sending position data ┌ Info: Recieved message └ message = "POSDATA" [ Info: Position data sent ┌ Info: Sending message └ message = "STATUS" [ Info: Position data recieved ┌ Info: Recieved message └ message = "STATUS" ┌ Info: Sending message └ message = "HAVEDATA" ┌ Info: Recieved message └ message = "HAVEDATA" ┌ Info: Sending message └ message = "GETFORCE" ┌ Info: Recieved message └ message = "GETFORCE" ┌ Info: Sending message └ message = "FORCEREADY" ┌ Info: Recieved message └ message = "FORCEREADY" [ Info: Recieving forces ┌ Info: Sending message └ message = "POSDATA" [ Info: Sending position data ┌ Info: Recieved message └ message = "POSDATA" [ Info: Position data sent ┌ Info: Sending message └ message = "STATUS" [ Info: Position data recieved ┌ Info: Recieved message └ message = "STATUS" ┌ Info: Sending message └ message = "HAVEDATA" ┌ Info: Recieved message └ message = "HAVEDATA" ┌ Info: Sending message └ message = "GETFORCE" ┌ Info: Recieved message └ message = "GETFORCE" ┌ Info: Sending message └ message = "FORCEREADY" ┌ Info: Recieved message └ message = "FORCEREADY" [ Info: Recieving forces ┌ Info: Sending message └ message = "POSDATA" [ Info: Sending position data ┌ Info: Recieved message └ message = "POSDATA" [ Info: Position data sent ┌ Info: Sending message └ message = "STATUS" [ Info: Position data recieved ┌ Info: Recieved message └ message = "STATUS" ┌ Info: Sending message └ message = "HAVEDATA" ┌ Info: Recieved message └ message = "HAVEDATA" ┌ Info: Sending message └ message = "GETFORCE" ┌ Info: Recieved message └ message = "GETFORCE" ┌ Info: Sending message └ message = "FORCEREADY" ┌ Info: Recieved message └ message = "FORCEREADY" [ Info: Recieving forces ┌ Info: Sending message └ message = "POSDATA" [ Info: Sending position data ┌ Info: Recieved message └ message = "POSDATA" [ Info: Position data sent ┌ Info: Sending message └ message = "STATUS" [ Info: Position data recieved ┌ Info: Recieved message └ message = "STATUS" ┌ Info: Sending message └ message = "HAVEDATA" ┌ Info: Recieved message └ message = "HAVEDATA" ┌ Info: Sending message └ message = "GETFORCE" ┌ Info: Recieved message └ message = "GETFORCE" ┌ Info: Sending message └ message = "FORCEREADY" ┌ Info: Recieved message └ message = "FORCEREADY" [ Info: Recieving forces ┌ Info: Sending message └ message = "POSDATA" [ Info: Sending position data ┌ Info: Recieved message └ message = "POSDATA" [ Info: Position data sent ┌ Info: Sending message └ message = "STATUS" [ Info: Position data recieved ┌ Info: Recieved message └ message = "STATUS" ┌ Info: Sending message └ message = "HAVEDATA" ┌ Info: Recieved message └ message = "HAVEDATA" ┌ Info: Sending message └ message = "GETFORCE" ┌ Info: Recieved message └ message = "GETFORCE" ┌ Info: Sending message └ message = "FORCEREADY" ┌ Info: Recieved message └ message = "FORCEREADY" [ Info: Recieving forces ┌ Info: Sending message └ message = "POSDATA" [ Info: Sending position data ┌ Info: Recieved message └ message = "POSDATA" [ Info: Position data sent ┌ Info: Sending message └ message = "STATUS" [ Info: Position data recieved ┌ Info: Recieved message └ message = "STATUS" ┌ Info: Sending message └ message = "HAVEDATA" ┌ Info: Recieved message └ message = "HAVEDATA" ┌ Info: Sending message └ message = "GETFORCE" ┌ Info: Recieved message └ message = "GETFORCE" ┌ Info: Sending message └ message = "FORCEREADY" ┌ Info: Recieved message └ message = "FORCEREADY" [ Info: Recieving forces ┌ Info: Sending message └ message = "POSDATA" [ Info: Sending position data ┌ Info: Recieved message └ message = "POSDATA" [ Info: Position data sent ┌ Info: Sending message └ message = "STATUS" [ Info: Position data recieved ┌ Info: Recieved message └ message = "STATUS" ┌ Info: Sending message └ message = "HAVEDATA" ┌ Info: Recieved message └ message = "HAVEDATA" ┌ Info: Sending message └ message = "GETFORCE" ┌ Info: Recieved message └ message = "GETFORCE" ┌ Info: Sending message └ message = "FORCEREADY" ┌ Info: Recieved message └ message = "FORCEREADY" [ Info: Recieving forces ┌ Info: Sending message └ message = "POSDATA" [ Info: Sending position data ┌ Info: Recieved message └ message = "POSDATA" [ Info: Position data sent ┌ Info: Sending message └ message = "STATUS" [ Info: Position data recieved ┌ Info: Recieved message └ message = "STATUS" ┌ Info: Sending message └ message = "HAVEDATA" ┌ Info: Recieved message └ message = "HAVEDATA" ┌ Info: Sending message └ message = "GETFORCE" ┌ Info: Recieved message └ message = "GETFORCE" ┌ Info: Sending message └ message = "FORCEREADY" ┌ Info: Recieved message └ message = "FORCEREADY" [ Info: Recieving forces ┌ Info: Sending message └ message = "EXIT" ┌ 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/J2cfU/test/test_fdtests.jl:103 ┌ Info: Recieved message └ message = "EXIT" Forces finite-difference test[ Info: Exiting calculator ---------|----------- h | error ---------|----------- 1.0e-02 | 4.50e-02 1.0e-03 | 4.51e-03 1.0e-04 | 4.51e-04 1.0e-05 | 4.51e-05 1.0e-06 | 4.50e-06 1.0e-07 | 4.33e-07 1.0e-08 | 3.43e-07 1.0e-09 | 4.35e-06 1.0e-10 | 2.51e-05 1.0e-11 | 3.85e-04 ---------|----------- passed Virial finite-difference test ---------|----------- h | error ---------|----------- 1.0e-02 | 1.78e-02 1.0e-03 | 1.78e-03 1.0e-04 | 1.78e-04 1.0e-05 | 1.78e-05 1.0e-06 | 1.78e-06 1.0e-07 | 1.78e-07 1.0e-08 | 4.39e-07 1.0e-09 | 5.29e-06 1.0e-10 | 4.24e-05 1.0e-11 | 4.39e-04 ---------|----------- passed Forces finite-difference test ---------|----------- h | error ---------|----------- 1.0e-02 | 5.07e-01 1.0e-03 | 4.95e-01 1.0e-04 | 4.94e-01 1.0e-05 | 4.94e-01 1.0e-06 | 4.94e-01 1.0e-07 | 4.94e-01 1.0e-08 | 4.94e-01 1.0e-09 | 4.94e-01 1.0e-10 | 4.94e-01 1.0e-11 | 4.94e-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/J2cfU/src/testing/fdtests.jl:49 Virial finite-difference test ---------|----------- h | error ---------|----------- 1.0e-02 | 1.78e-02 1.0e-03 | 1.78e-03 1.0e-04 | 1.78e-04 1.0e-05 | 1.78e-05 1.0e-06 | 1.78e-06 1.0e-07 | 1.78e-07 1.0e-08 | 4.39e-07 1.0e-09 | 5.29e-06 1.0e-10 | 4.24e-05 1.0e-11 | 4.39e-04 ---------|----------- passed Forces finite-difference test ---------|----------- h | error ---------|----------- 1.0e-02 | 4.50e-02 1.0e-03 | 4.51e-03 1.0e-04 | 4.51e-04 1.0e-05 | 4.51e-05 1.0e-06 | 4.50e-06 1.0e-07 | 4.33e-07 1.0e-08 | 3.43e-07 1.0e-09 | 4.35e-06 1.0e-10 | 2.51e-05 1.0e-11 | 3.85e-04 ---------|----------- passed Virial finite-difference test ---------|----------- h | error ---------|----------- 1.0e-02 | 4.97e-01 1.0e-03 | 4.95e-01 1.0e-04 | 4.94e-01 1.0e-05 | 4.94e-01 1.0e-06 | 4.94e-01 1.0e-07 | 4.94e-01 1.0e-08 | 4.94e-01 1.0e-09 | 4.94e-01 1.0e-10 | 4.94e-01 1.0e-11 | 4.94e-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/J2cfU/src/testing/fdtests.jl:49 Forces finite-difference test ---------|----------- h | error ---------|----------- 1.0e-02 | 5.24e-02 1.0e-03 | 5.24e-03 1.0e-04 | 5.24e-04 1.0e-05 | 5.24e-05 1.0e-06 | 5.24e-06 1.0e-07 | 5.45e-07 1.0e-08 | 3.14e-07 1.0e-09 | 3.77e-06 1.0e-10 | 2.01e-05 1.0e-11 | 3.44e-04 ---------|----------- passed Virial finite-difference test ---------|----------- h | error ---------|----------- 1.0e-02 | 2.44e-02 1.0e-03 | 2.43e-03 1.0e-04 | 2.43e-04 1.0e-05 | 2.43e-05 1.0e-06 | 2.43e-06 1.0e-07 | 2.23e-07 1.0e-08 | 3.80e-07 1.0e-09 | 7.23e-06 1.0e-10 | 3.83e-05 1.0e-11 | 5.78e-04 ---------|----------- passed Forces finite-difference test ---------|----------- h | error ---------|----------- 1.0e-02 | 4.94e-01 1.0e-03 | 5.05e-01 1.0e-04 | 5.06e-01 1.0e-05 | 5.06e-01 1.0e-06 | 5.06e-01 1.0e-07 | 5.06e-01 1.0e-08 | 5.06e-01 1.0e-09 | 5.06e-01 1.0e-10 | 5.06e-01 1.0e-11 | 5.06e-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/J2cfU/src/testing/fdtests.jl:49 Virial finite-difference test ---------|----------- h | error ---------|----------- 1.0e-02 | 2.58e-02 1.0e-03 | 2.57e-03 1.0e-04 | 2.57e-04 1.0e-05 | 2.57e-05 1.0e-06 | 2.57e-06 1.0e-07 | 2.39e-07 1.0e-08 | 4.25e-07 1.0e-09 | 3.09e-06 1.0e-10 | 5.28e-05 1.0e-11 | 4.52e-04 ---------|----------- passed Forces finite-difference test ---------|----------- h | error ---------|----------- 1.0e-02 | 5.21e-02 1.0e-03 | 5.22e-03 1.0e-04 | 5.22e-04 1.0e-05 | 5.22e-05 1.0e-06 | 5.22e-06 1.0e-07 | 5.27e-07 1.0e-08 | 4.32e-07 1.0e-09 | 4.95e-06 1.0e-10 | 3.15e-05 1.0e-11 | 4.14e-04 ---------|----------- passed Virial finite-difference test ---------|----------- h | error ---------|----------- 1.0e-02 | 5.78e-01 1.0e-03 | 5.76e-01 1.0e-04 | 5.76e-01 1.0e-05 | 5.76e-01 1.0e-06 | 5.76e-01 1.0e-07 | 5.76e-01 1.0e-08 | 5.76e-01 1.0e-09 | 5.76e-01 1.0e-10 | 5.76e-01 1.0e-11 | 5.76e-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/J2cfU/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/J2cfU/test/test_fdtests.jl:125 Forces finite-difference test ---------|----------- h | error ---------|----------- 1.0e-02 | 5.54e-02 1.0e-03 | 5.53e-03 1.0e-04 | 5.53e-04 1.0e-05 | 5.53e-05 1.0e-06 | 5.53e-06 1.0e-07 | 4.94e-07 1.0e-08 | 3.94e-07 1.0e-09 | 3.56e-06 1.0e-10 | 2.80e-05 1.0e-11 | 4.54e-04 ---------|----------- passed Forces finite-difference test ---------|----------- h | error ---------|----------- 1.0e-02 | 4.62e-01 1.0e-03 | 4.81e-01 1.0e-04 | 4.83e-01 1.0e-05 | 4.83e-01 1.0e-06 | 4.83e-01 1.0e-07 | 4.83e-01 1.0e-08 | 4.83e-01 1.0e-09 | 4.83e-01 1.0e-10 | 4.83e-01 1.0e-11 | 4.83e-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/J2cfU/src/testing/fdtests.jl:49 Forces finite-difference test ---------|----------- h | error ---------|----------- 1.0e-02 | 6.47e-02 1.0e-03 | 6.46e-03 1.0e-04 | 6.46e-04 1.0e-05 | 6.46e-05 1.0e-06 | 6.46e-06 1.0e-07 | 6.76e-07 1.0e-08 | 7.42e-07 1.0e-09 | 4.26e-06 1.0e-10 | 4.33e-05 1.0e-11 | 4.61e-04 ---------|----------- passed Forces finite-difference test ---------|----------- h | error ---------|----------- 1.0e-02 | 4.61e-01 1.0e-03 | 4.59e-01 1.0e-04 | 4.62e-01 1.0e-05 | 4.62e-01 1.0e-06 | 4.62e-01 1.0e-07 | 4.62e-01 1.0e-08 | 4.62e-01 1.0e-09 | 4.62e-01 1.0e-10 | 4.62e-01 1.0e-11 | 4.63e-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/J2cfU/src/testing/fdtests.jl:49 Forces finite-difference test ---------|----------- h | error ---------|----------- 1.0e-02 | 6.05e-02 1.0e-03 | 6.06e-03 1.0e-04 | 6.06e-04 1.0e-05 | 6.06e-05 1.0e-06 | 6.06e-06 1.0e-07 | 6.25e-07 1.0e-08 | 3.93e-07 1.0e-09 | 3.82e-06 1.0e-10 | 2.10e-05 1.0e-11 | 5.13e-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/J2cfU/src/testing/fdtests.jl:49 Virial finite-difference test ---------|----------- h | error ---------|----------- 1.0e-02 | 2.31e-02 1.0e-03 | 2.32e-03 1.0e-04 | 2.32e-04 1.0e-05 | 2.32e-05 1.0e-06 | 2.31e-06 1.0e-07 | 1.68e-07 1.0e-08 | 5.87e-07 1.0e-09 | 1.03e-05 1.0e-10 | 9.00e-05 1.0e-11 | 7.67e-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/J2cfU/src/testing/fdtests.jl:49 Forces finite-difference test ---------|----------- h | error ---------|----------- 1.0e-02 | 5.95e-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 | 5.56e-07 1.0e-08 | 4.20e-07 1.0e-09 | 5.04e-06 1.0e-10 | 5.73e-05 1.0e-11 | 5.36e-04 ---------|----------- passed Virial finite-difference test ---------|----------- h | error ---------|----------- 1.0e-02 | 2.46e-02 1.0e-03 | 2.46e-03 1.0e-04 | 2.46e-04 1.0e-05 | 2.46e-05 1.0e-06 | 2.46e-06 1.0e-07 | 2.28e-07 1.0e-08 | 3.88e-07 1.0e-09 | 2.92e-06 1.0e-10 | 3.92e-05 1.0e-11 | 4.37e-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 | 6.41e-03 1.0e-04 | 6.40e-04 1.0e-05 | 6.40e-05 1.0e-06 | 6.41e-06 1.0e-07 | 6.63e-07 1.0e-08 | 5.02e-07 1.0e-09 | 5.61e-06 1.0e-10 | 5.89e-05 1.0e-11 | 4.08e-04 1.0e-12 | 6.36e-03 ---------|----------- passed Virial finite-difference test ---------|----------- h | error ---------|----------- 1.0e-02 | 2.47e-02 1.0e-03 | 2.46e-03 1.0e-04 | 2.46e-04 1.0e-05 | 2.46e-05 1.0e-06 | 2.46e-06 1.0e-07 | 2.94e-07 1.0e-08 | 7.74e-07 1.0e-09 | 3.20e-06 1.0e-10 | 2.45e-05 1.0e-11 | 4.03e-04 ---------|----------- passed Test Summary: | Pass Total Time AtomsCalculatorsUtilities.jl | 457 457 1m58.6s Testing AtomsCalculatorsUtilities tests passed Testing completed after 125.63s PkgEval succeeded after 555.87s