Package evaluation of AtomsCalculatorsUtilities on Julia 1.10.8 (92f03a4775*) started at 2025-02-25T11:42:53.152


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

Installing PkgEval dependencies (TestEnv)...

Set-up completed after 4.93s


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

Installing AtomsCalculatorsUtilities...
   Resolving package versions...
    Updating `~/.julia/environments/v1.10/Project.toml`
  [9855a07e] + AtomsCalculatorsUtilities v0.1.7
    Updating `~/.julia/environments/v1.10/Manifest.toml`
  [7d9f7c33] + Accessors v0.1.41
  [79e6a3ab] + Adapt v4.2.0
  [dce04be8] + ArgCheck v2.4.0
  [4fba245c] + ArrayInterface v7.18.0
  [a963bdd2] + AtomsBase v0.5.1
  [a3e0e189] + AtomsCalculators v0.2.3
  [9855a07e] + AtomsCalculatorsUtilities v0.1.7
  [198e06fe] + BangBang v0.4.3
  [9718e550] + Baselet v0.1.1
  [62783981] + BitTwiddlingConvenienceFunctions v0.1.6
  [8ce10254] + Bumper v0.7.1
  [2a0fbf3d] + CPUSummary v0.2.6
  [ae650224] + ChunkSplitters v3.1.1
  [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 v0.9.3
  [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 v0.12.171
  [1914dd2f] + MacroTools v0.5.15
  [d125e4d3] + ManualMemory v0.1.8
  [128add7d] + MicroCollections v0.2.0
  [77ba4419] + NaNMath v1.1.2
  [2fcf5ba9] + NeighbourLists v0.5.10
  [6fd5a793] + Octavian v0.3.28
  [6fe1bfb0] + OffsetArrays v1.15.0
  [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 v1.3.0
  [94e857df] + SIMDTypes v0.1.0
  [476501e8] + SLEEFPirates v0.6.43
  [efcf1570] + Setfield v1.1.1
  [276daf66] + SpecialFunctions v2.5.0
  [171d559e] + SplittablesBase v0.1.15
  [aedffcd0] + Static v1.1.1
  [0d7ed370] + StaticArrayInterface v1.8.0
  [90137ffa] + StaticArrays v1.9.12
  [1e83bf80] + StaticArraysCore v1.4.3
  [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 v1.0.6
  [3d5dd08c] + VectorizationBase v0.21.71
  [33b4df10] + VectorizedRNG v0.2.25
  [3b853605] + VectorizedStatistics v0.5.10
  [efe28fd5] + OpenSpecFun_jll v0.5.6+0
  [56f22d72] + Artifacts
  [2a0f44e3] + Base64
  [ade2ca70] + Dates
  [8ba89e20] + Distributed
  [9fa8497b] + Future
  [b77e0a4c] + InteractiveUtils
  [76f85450] + LibGit2
  [8f399da3] + Libdl
  [37e2e46d] + LinearAlgebra
  [56ddb016] + Logging
  [d6f4376e] + Markdown
  [ca575930] + NetworkOptions v1.2.0
  [de0858da] + Printf
  [9a3f8284] + Random
  [ea8e919c] + SHA v0.7.0
  [9e88b42a] + Serialization
  [6462fe0b] + Sockets
  [2f01184e] + SparseArrays v1.10.0
  [10745b16] + Statistics v1.10.0
  [fa267f1f] + TOML v1.0.3
  [8dfed614] + Test
  [cf7118a7] + UUIDs
  [4ec0a83e] + Unicode
  [e66e0078] + CompilerSupportLibraries_jll v1.1.1+0
  [e37daf67] + LibGit2_jll v1.6.4+0
  [29816b5a] + LibSSH2_jll v1.11.0+1
  [c8ffd9c3] + MbedTLS_jll v2.28.2+1
  [4536629a] + OpenBLAS_jll v0.3.23+4
  [05823500] + OpenLibm_jll v0.8.1+4
  [bea87d4a] + SuiteSparse_jll v7.2.1+1
  [8e850b90] + libblastrampoline_jll v5.11.0+0

Installation completed after 6.26s


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# Precompilation
#

Precompiling PkgEval dependencies...

Precompiling package dependencies...

Precompilation completed after 99.85s


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# Testing
#

     Testing AtomsCalculatorsUtilities
      Status `/tmp/jl_pXmSuB/Project.toml`
  [a963bdd2] AtomsBase v0.5.1
  [a3e0e189] AtomsCalculators v0.2.3
  [9855a07e] AtomsCalculatorsUtilities v0.1.7
  [8ce10254] Bumper v0.7.1
  [ae650224] ChunkSplitters v3.1.1
  [163ba53b] DiffResults v1.1.0
  [41a02a25] Folds v0.2.10
  [f6369f11] ForwardDiff v0.10.38
  [2fcf5ba9] NeighbourLists v0.5.10
  [90137ffa] StaticArrays v1.9.12
  [d1fa6d79] StrideArrays v0.1.29
  [1986cc42] Unitful v1.22.0
  [a7773ee8] UnitfulAtomic v1.0.0
  [37e2e46d] LinearAlgebra
  [de0858da] Printf
  [6462fe0b] Sockets
  [8dfed614] Test
      Status `/tmp/jl_pXmSuB/Manifest.toml`
  [7d9f7c33] Accessors v0.1.41
  [79e6a3ab] Adapt v4.2.0
  [dce04be8] ArgCheck v2.4.0
  [4fba245c] ArrayInterface v7.18.0
  [a963bdd2] AtomsBase v0.5.1
  [a3e0e189] AtomsCalculators v0.2.3
  [9855a07e] AtomsCalculatorsUtilities v0.1.7
  [198e06fe] BangBang v0.4.3
  [9718e550] Baselet v0.1.1
  [62783981] BitTwiddlingConvenienceFunctions v0.1.6
  [8ce10254] Bumper v0.7.1
  [2a0fbf3d] CPUSummary v0.2.6
  [ae650224] ChunkSplitters v3.1.1
  [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 v0.9.3
  [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 v0.12.171
  [1914dd2f] MacroTools v0.5.15
  [d125e4d3] ManualMemory v0.1.8
  [128add7d] MicroCollections v0.2.0
  [77ba4419] NaNMath v1.1.2
  [2fcf5ba9] NeighbourLists v0.5.10
  [6fd5a793] Octavian v0.3.28
  [6fe1bfb0] OffsetArrays v1.15.0
  [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 v1.3.0
  [94e857df] SIMDTypes v0.1.0
  [476501e8] SLEEFPirates v0.6.43
  [efcf1570] Setfield v1.1.1
  [276daf66] SpecialFunctions v2.5.0
  [171d559e] SplittablesBase v0.1.15
  [aedffcd0] Static v1.1.1
  [0d7ed370] StaticArrayInterface v1.8.0
  [90137ffa] StaticArrays v1.9.12
  [1e83bf80] StaticArraysCore v1.4.3
  [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 v1.0.6
  [3d5dd08c] VectorizationBase v0.21.71
  [33b4df10] VectorizedRNG v0.2.25
  [3b853605] VectorizedStatistics v0.5.10
  [efe28fd5] OpenSpecFun_jll v0.5.6+0
  [56f22d72] Artifacts
  [2a0f44e3] Base64
  [ade2ca70] Dates
  [8ba89e20] Distributed
  [9fa8497b] Future
  [b77e0a4c] InteractiveUtils
  [76f85450] LibGit2
  [8f399da3] Libdl
  [37e2e46d] LinearAlgebra
  [56ddb016] Logging
  [d6f4376e] Markdown
  [ca575930] NetworkOptions v1.2.0
  [de0858da] Printf
  [9a3f8284] Random
  [ea8e919c] SHA v0.7.0
  [9e88b42a] Serialization
  [6462fe0b] Sockets
  [2f01184e] SparseArrays v1.10.0
  [10745b16] Statistics v1.10.0
  [fa267f1f] TOML v1.0.3
  [8dfed614] Test
  [cf7118a7] UUIDs
  [4ec0a83e] Unicode
  [e66e0078] CompilerSupportLibraries_jll v1.1.1+0
  [e37daf67] LibGit2_jll v1.6.4+0
  [29816b5a] LibSSH2_jll v1.11.0+1
  [c8ffd9c3] MbedTLS_jll v2.28.2+1
  [4536629a] OpenBLAS_jll v0.3.23+4
  [05823500] OpenLibm_jll v0.8.1+4
  [bea87d4a] SuiteSparse_jll v7.2.1+1
  [8e850b90] libblastrampoline_jll v5.11.0+0
     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
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[ Info: Position data sent
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[ Info: Position data recieved
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└   message = "HAVEDATA"
┌ Info: Recieved message
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└   message = "GETFORCE"
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┌ Info: Sending message
└   message = "FORCEREADY"
┌ Info: Recieved message
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[ Info: Recieving forces
┌ Info: Sending message
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[ Info: Sending position data
┌ Info: Recieved message
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[ Info: Position data sent
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[ Info: Position data recieved
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└   message = "HAVEDATA"
┌ Info: Recieved message
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└   message = "GETFORCE"
┌ Info: Recieved message
└   message = "GETFORCE"
┌ Info: Sending message
└   message = "FORCEREADY"
┌ Info: Recieved message
└   message = "FORCEREADY"
[ Info: Recieving forces
┌ Info: Sending message
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[ Info: Sending position data
┌ Info: Recieved message
└   message = "POSDATA"
[ Info: Position data sent
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[ Info: Position data recieved
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└   message = "FORCEREADY"
[ Info: Recieving forces
┌ Info: Sending message
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[ Info: Sending position data
┌ Info: Recieved message
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[ Info: Position data sent
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[ Info: Position data recieved
┌ Info: Recieved message
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└   message = "HAVEDATA"
┌ Info: Recieved message
└   message = "HAVEDATA"
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└   message = "GETFORCE"
┌ Info: Recieved message
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└   message = "FORCEREADY"
┌ Info: Recieved message
└   message = "FORCEREADY"
[ Info: Recieving forces
┌ Info: Sending message
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[ Info: Sending position data
┌ Info: Recieved message
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[ Info: Position data sent
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[ Info: Position data recieved
┌ Info: Recieved message
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└   message = "HAVEDATA"
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└   message = "HAVEDATA"
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└   message = "GETFORCE"
┌ Info: Recieved message
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┌ Info: Sending message
└   message = "FORCEREADY"
┌ Info: Recieved message
└   message = "FORCEREADY"
[ Info: Recieving forces
┌ Info: Sending message
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[ Info: Sending position data
┌ Info: Recieved message
└   message = "POSDATA"
[ Info: Position data sent
┌ Info: Sending message
└   message = "STATUS"
[ Info: Position data recieved
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└   message = "HAVEDATA"
┌ Info: Recieved message
└   message = "HAVEDATA"
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┌ Info: Recieved message
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[ Info: Recieving forces
┌ Info: Sending message
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[ Info: Sending position data
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[ Info: Position data sent
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[ Info: Position data recieved
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[ Info: Recieving forces
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[ Info: Sending position data
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[ Info: Position data sent
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[ Info: Position data recieved
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└   message = "HAVEDATA"
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┌ Info: Recieved message
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┌ Info: Sending message
└   message = "FORCEREADY"
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└   message = "FORCEREADY"
[ Info: Recieving forces
┌ Info: Sending message
└   message = "POSDATA"
[ Info: Sending position data
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[ Info: Position data sent
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[ Info: Position data recieved
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└   message = "FORCEREADY"
[ Info: Recieving forces
┌ Info: Sending message
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[ Info: Sending position data
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[ Info: Position data sent
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[ Info: Position data recieved
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└   message = "GETFORCE"
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└   message = "GETFORCE"
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└   message = "FORCEREADY"
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└   message = "FORCEREADY"
[ Info: Recieving forces
┌ Info: Sending message
└   message = "POSDATA"
[ Info: Sending position data
┌ Info: Recieved message
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[ Info: Position data sent
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[ Info: Position data recieved
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└   message = "STATUS"
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└   message = "HAVEDATA"
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└   message = "HAVEDATA"
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└   message = "GETFORCE"
┌ Info: Recieved message
└   message = "GETFORCE"
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└   message = "FORCEREADY"
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└   message = "FORCEREADY"
[ Info: Recieving forces
┌ Info: Sending message
└   message = "POSDATA"
[ Info: Sending position data
┌ Info: Recieved message
└   message = "POSDATA"
[ Info: Position data sent
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└   message = "STATUS"
[ Info: Position data recieved
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└   message = "STATUS"
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└   message = "HAVEDATA"
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└   message = "GETFORCE"
┌ Info: Recieved message
└   message = "GETFORCE"
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└   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"
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└   message = "HAVEDATA"
┌ Info: Recieved message
└   message = "HAVEDATA"
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└   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 | 5.67e-02  
 1.0e-03 | 5.69e-03  
 1.0e-04 | 5.69e-04  
 1.0e-05 | 5.69e-05  
 1.0e-06 | 5.69e-06  
 1.0e-07 | 5.86e-07  
 1.0e-08 | 4.15e-07  
 1.0e-09 | 3.71e-06  
 1.0e-10 | 2.92e-05  
 1.0e-11 | 3.39e-04  
---------|----------- 
passed
Virial finite-difference test
---------|----------- 
    h    | error 
---------|----------- 
 1.0e-02 | 2.11e-02  
 1.0e-03 | 2.11e-03  
 1.0e-04 | 2.11e-04  
 1.0e-05 | 2.11e-05  
 1.0e-06 | 2.11e-06  
 1.0e-07 | 2.05e-07  
 1.0e-08 | 3.99e-07  
 1.0e-09 | 2.63e-06  
 1.0e-10 | 3.14e-05  
 1.0e-11 | 3.18e-04  
---------|----------- 
passed
Forces finite-difference test
---------|----------- 
    h    | error 
---------|----------- 
 1.0e-02 | 4.93e-01  
 1.0e-03 | 4.76e-01  
 1.0e-04 | 4.75e-01  
 1.0e-05 | 4.75e-01  
 1.0e-06 | 4.75e-01  
 1.0e-07 | 4.75e-01  
 1.0e-08 | 4.75e-01  
 1.0e-09 | 4.75e-01  
 1.0e-10 | 4.75e-01  
 1.0e-11 | 4.74e-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 | 2.11e-02  
 1.0e-03 | 2.11e-03  
 1.0e-04 | 2.11e-04  
 1.0e-05 | 2.11e-05  
 1.0e-06 | 2.11e-06  
 1.0e-07 | 2.05e-07  
 1.0e-08 | 3.99e-07  
 1.0e-09 | 2.63e-06  
 1.0e-10 | 3.14e-05  
 1.0e-11 | 3.18e-04  
---------|----------- 
passed
Forces finite-difference test
---------|----------- 
    h    | error 
---------|----------- 
 1.0e-02 | 5.67e-02  
 1.0e-03 | 5.69e-03  
 1.0e-04 | 5.69e-04  
 1.0e-05 | 5.69e-05  
 1.0e-06 | 5.69e-06  
 1.0e-07 | 5.86e-07  
 1.0e-08 | 4.15e-07  
 1.0e-09 | 3.71e-06  
 1.0e-10 | 2.92e-05  
 1.0e-11 | 3.39e-04  
---------|----------- 
passed
Virial finite-difference test
---------|----------- 
    h    | error 
---------|----------- 
 1.0e-02 | 4.70e-01  
 1.0e-03 | 4.63e-01  
 1.0e-04 | 4.63e-01  
 1.0e-05 | 4.63e-01  
 1.0e-06 | 4.63e-01  
 1.0e-07 | 4.63e-01  
 1.0e-08 | 4.63e-01  
 1.0e-09 | 4.63e-01  
 1.0e-10 | 4.63e-01  
 1.0e-11 | 4.62e-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 | 3.60e-02  
 1.0e-03 | 3.60e-03  
 1.0e-04 | 3.60e-04  
 1.0e-05 | 3.60e-05  
 1.0e-06 | 3.60e-06  
 1.0e-07 | 3.77e-07  
 1.0e-08 | 1.86e-07  
 1.0e-09 | 1.36e-06  
 1.0e-10 | 3.47e-05  
 1.0e-11 | 1.65e-04  
---------|----------- 
passed
Virial finite-difference test
---------|----------- 
    h    | error 
---------|----------- 
 1.0e-02 | 1.71e-02  
 1.0e-03 | 1.70e-03  
 1.0e-04 | 1.70e-04  
 1.0e-05 | 1.70e-05  
 1.0e-06 | 1.70e-06  
 1.0e-07 | 1.74e-07  
 1.0e-08 | 3.63e-07  
 1.0e-09 | 2.56e-06  
 1.0e-10 | 2.68e-05  
 1.0e-11 | 2.26e-04  
---------|----------- 
passed
Forces finite-difference test
---------|----------- 
    h    | error 
---------|----------- 
 1.0e-02 | 4.42e-01  
 1.0e-03 | 4.30e-01  
 1.0e-04 | 4.28e-01  
 1.0e-05 | 4.28e-01  
 1.0e-06 | 4.28e-01  
 1.0e-07 | 4.28e-01  
 1.0e-08 | 4.28e-01  
 1.0e-09 | 4.28e-01  
 1.0e-10 | 4.28e-01  
 1.0e-11 | 4.28e-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 | 1.68e-02  
 1.0e-03 | 1.68e-03  
 1.0e-04 | 1.68e-04  
 1.0e-05 | 1.68e-05  
 1.0e-06 | 1.68e-06  
 1.0e-07 | 1.89e-07  
 1.0e-08 | 4.11e-07  
 1.0e-09 | 2.90e-06  
 1.0e-10 | 4.46e-05  
 1.0e-11 | 4.35e-04  
---------|----------- 
passed
Forces finite-difference test
---------|----------- 
    h    | error 
---------|----------- 
 1.0e-02 | 4.08e-02  
 1.0e-03 | 4.07e-03  
 1.0e-04 | 4.07e-04  
 1.0e-05 | 4.07e-05  
 1.0e-06 | 4.07e-06  
 1.0e-07 | 4.38e-07  
 1.0e-08 | 3.00e-07  
 1.0e-09 | 1.77e-06  
 1.0e-10 | 3.73e-05  
 1.0e-11 | 3.39e-04  
---------|----------- 
passed
Virial finite-difference test
---------|----------- 
    h    | error 
---------|----------- 
 1.0e-02 | 4.64e-01  
 1.0e-03 | 4.60e-01  
 1.0e-04 | 4.59e-01  
 1.0e-05 | 4.59e-01  
 1.0e-06 | 4.59e-01  
 1.0e-07 | 4.59e-01  
 1.0e-08 | 4.59e-01  
 1.0e-09 | 4.59e-01  
 1.0e-10 | 4.59e-01  
 1.0e-11 | 4.58e-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 | 4.88e-02  
 1.0e-03 | 4.88e-03  
 1.0e-04 | 4.88e-04  
 1.0e-05 | 4.88e-05  
 1.0e-06 | 4.88e-06  
 1.0e-07 | 4.99e-07  
 1.0e-08 | 3.18e-07  
 1.0e-09 | 4.11e-06  
 1.0e-10 | 3.68e-05  
 1.0e-11 | 3.59e-04  
---------|----------- 
passed
Forces finite-difference test
---------|----------- 
    h    | error 
---------|----------- 
 1.0e-02 | 4.25e-01  
 1.0e-03 | 4.43e-01  
 1.0e-04 | 4.45e-01  
 1.0e-05 | 4.45e-01  
 1.0e-06 | 4.45e-01  
 1.0e-07 | 4.45e-01  
 1.0e-08 | 4.45e-01  
 1.0e-09 | 4.45e-01  
 1.0e-10 | 4.45e-01  
 1.0e-11 | 4.45e-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 | 4.94e-02  
 1.0e-03 | 4.94e-03  
 1.0e-04 | 4.94e-04  
 1.0e-05 | 4.94e-05  
 1.0e-06 | 4.93e-06  
 1.0e-07 | 4.89e-07  
 1.0e-08 | 2.43e-07  
 1.0e-09 | 4.14e-06  
 1.0e-10 | 3.54e-05  
 1.0e-11 | 2.18e-04  
---------|----------- 
passed
Forces finite-difference test
---------|----------- 
    h    | error 
---------|----------- 
 1.0e-02 | 5.10e-01  
 1.0e-03 | 4.90e-01  
 1.0e-04 | 4.88e-01  
 1.0e-05 | 4.88e-01  
 1.0e-06 | 4.88e-01  
 1.0e-07 | 4.88e-01  
 1.0e-08 | 4.88e-01  
 1.0e-09 | 4.88e-01  
 1.0e-10 | 4.88e-01  
 1.0e-11 | 4.88e-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 | 5.72e-02  
 1.0e-03 | 5.72e-03  
 1.0e-04 | 5.72e-04  
 1.0e-05 | 5.72e-05  
 1.0e-06 | 5.72e-06  
 1.0e-07 | 6.02e-07  
 1.0e-08 | 4.73e-07  
 1.0e-09 | 4.71e-06  
 1.0e-10 | 3.92e-05  
 1.0e-11 | 4.86e-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 | 2.08e-02  
 1.0e-03 | 2.09e-03  
 1.0e-04 | 2.09e-04  
 1.0e-05 | 2.09e-05  
 1.0e-06 | 2.08e-06  
 1.0e-07 | 2.12e-07  
 1.0e-08 | 3.21e-07  
 1.0e-09 | 3.64e-06  
 1.0e-10 | 4.10e-05  
 1.0e-11 | 4.31e-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 | 5.40e-02  
 1.0e-03 | 5.41e-03  
 1.0e-04 | 5.41e-04  
 1.0e-05 | 5.41e-05  
 1.0e-06 | 5.41e-06  
 1.0e-07 | 5.30e-07  
 1.0e-08 | 2.02e-07  
 1.0e-09 | 2.52e-06  
 1.0e-10 | 2.22e-05  
 1.0e-11 | 3.17e-04  
---------|----------- 
passed
Virial finite-difference test
---------|----------- 
    h    | error 
---------|----------- 
 1.0e-02 | 2.50e-02  
 1.0e-03 | 2.51e-03  
 1.0e-04 | 2.52e-04  
 1.0e-05 | 2.52e-05  
 1.0e-06 | 2.51e-06  
 1.0e-07 | 2.43e-07  
 1.0e-08 | 4.93e-07  
 1.0e-09 | 4.39e-06  
 1.0e-10 | 3.94e-05  
 1.0e-11 | 4.29e-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 | 5.31e-03  
 1.0e-04 | 5.31e-04  
 1.0e-05 | 5.31e-05  
 1.0e-06 | 5.32e-06  
 1.0e-07 | 5.31e-07  
 1.0e-08 | 3.81e-07  
 1.0e-09 | 2.60e-06  
 1.0e-10 | 4.03e-05  
 1.0e-11 | 3.42e-04  
 1.0e-12 | 3.31e-03  
---------|----------- 
passed
Virial finite-difference test
---------|----------- 
    h    | error 
---------|----------- 
 1.0e-02 | 1.98e-02  
 1.0e-03 | 1.98e-03  
 1.0e-04 | 1.98e-04  
 1.0e-05 | 1.98e-05  
 1.0e-06 | 1.98e-06  
 1.0e-07 | 1.86e-07  
 1.0e-08 | 4.36e-07  
 1.0e-09 | 4.18e-06  
 1.0e-10 | 4.15e-05  
 1.0e-11 | 5.26e-04  
---------|----------- 
passed
Test Summary:                | Pass  Total     Time
AtomsCalculatorsUtilities.jl |  457    457  1m42.2s
     Testing AtomsCalculatorsUtilities tests passed 

Testing completed after 113.88s

PkgEval succeeded after 230.73s