Package evaluation to test AtomsCalculatorsUtilities on Julia 1.11.8 (29b3528cce*) started at 2026-01-20T10:22:34.473


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

Installing PkgEval dependencies (TestEnv)...
  Activating project at `~/.julia/environments/v1.11`

Set-up completed after 8.78s


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

Installing AtomsCalculatorsUtilities...
   Resolving package versions...
    Updating `~/.julia/environments/v1.11/Project.toml`
  [9855a07e] + AtomsCalculatorsUtilities v0.1.8
    Updating `~/.julia/environments/v1.11/Manifest.toml`
  [7d9f7c33] + Accessors v0.1.43
  [79e6a3ab] + Adapt v4.4.0
  [dce04be8] + ArgCheck v2.5.0
  [a963bdd2] + AtomsBase v0.5.2
  [a3e0e189] + AtomsCalculators v0.2.3
  [9855a07e] + AtomsCalculatorsUtilities v0.1.8
  [198e06fe] + BangBang v0.4.6
  [9718e550] + Baselet v0.1.1
  [8ce10254] + Bumper v0.7.1
  [ae650224] + ChunkSplitters v3.1.2
  [bbf7d656] + CommonSubexpressions v0.3.1
  [34da2185] + Compat v4.18.1
  [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 v1.3.1
  [22cec73e] + InitialValues v0.3.1
  [3587e190] + InverseFunctions v0.1.17
  [92d709cd] + IrrationalConstants v0.2.6
  [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 v1.2.1
  [21216c6a] + Preferences v1.5.1
  [42d2dcc6] + Referenceables v0.1.3
  [ae029012] + Requires v1.3.1
  [efcf1570] + Setfield v1.1.2
  [276daf66] + SpecialFunctions v2.6.1
  [171d559e] + SplittablesBase v0.1.15
  [90137ffa] + StaticArrays v1.9.16
  [1e83bf80] + StaticArraysCore v1.4.4
  [3783bdb8] + TableTraits v1.0.1
  [bd369af6] + Tables v1.12.1
  [24d252fe] + ThreadedScans v0.1.0
  [28d57a85] + Transducers v0.4.85
  [1986cc42] + Unitful v1.27.0
  [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
  [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 5.44s


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# Precompilation
#

Precompiling PkgEval dependencies...

Precompiling package dependencies...

Precompilation completed after 18.14s


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# Testing
#

     Testing AtomsCalculatorsUtilities
      Status `/tmp/jl_IqeEUj/Project.toml`
  [a963bdd2] AtomsBase v0.5.2
  [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 v1.3.1
⌅ [2fcf5ba9] NeighbourLists v0.5.10
  [90137ffa] StaticArrays v1.9.16
  [1986cc42] Unitful v1.27.0
  [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_IqeEUj/Manifest.toml`
  [7d9f7c33] Accessors v0.1.43
  [79e6a3ab] Adapt v4.4.0
  [dce04be8] ArgCheck v2.5.0
  [a963bdd2] AtomsBase v0.5.2
  [a3e0e189] AtomsCalculators v0.2.3
  [9855a07e] AtomsCalculatorsUtilities v0.1.8
  [198e06fe] BangBang v0.4.6
  [9718e550] Baselet v0.1.1
  [8ce10254] Bumper v0.7.1
  [ae650224] ChunkSplitters v3.1.2
  [bbf7d656] CommonSubexpressions v0.3.1
  [34da2185] Compat v4.18.1
  [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 v1.3.1
  [22cec73e] InitialValues v0.3.1
  [3587e190] InverseFunctions v0.1.17
  [92d709cd] IrrationalConstants v0.2.6
  [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 v1.2.1
  [21216c6a] Preferences v1.5.1
  [42d2dcc6] Referenceables v0.1.3
  [ae029012] Requires v1.3.1
  [efcf1570] Setfield v1.1.2
  [276daf66] SpecialFunctions v2.6.1
  [171d559e] SplittablesBase v0.1.15
  [90137ffa] StaticArrays v1.9.16
  [1e83bf80] StaticArraysCore v1.4.4
  [3783bdb8] TableTraits v1.0.1
  [bd369af6] Tables v1.12.1
  [24d252fe] ThreadedScans v0.1.0
  [28d57a85] Transducers v0.4.85
  [1986cc42] Unitful v1.27.0
  [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
  [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/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
┌ 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 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 = "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/2ZKtJ/test/test_fdtests.jl:103
Forces finite-difference test┌ Info: Recieved message
└   message = "EXIT"

[ Info: Exiting calculator
---------|----------- 
    h    | error 
---------|----------- 
 1.0e-02 | 4.82e-02  
 1.0e-03 | 4.82e-03  
 1.0e-04 | 4.82e-04  
 1.0e-05 | 4.82e-05  
 1.0e-06 | 4.82e-06  
 1.0e-07 | 4.50e-07  
 1.0e-08 | 3.95e-07  
 1.0e-09 | 4.55e-06  
 1.0e-10 | 4.76e-05  
 1.0e-11 | 2.83e-04  
---------|----------- 
passed
Virial finite-difference test
---------|----------- 
    h    | error 
---------|----------- 
 1.0e-02 | 2.35e-02  
 1.0e-03 | 2.35e-03  
 1.0e-04 | 2.35e-04  
 1.0e-05 | 2.35e-05  
 1.0e-06 | 2.35e-06  
 1.0e-07 | 2.05e-07  
 1.0e-08 | 7.55e-07  
 1.0e-09 | 5.51e-06  
 1.0e-10 | 4.53e-05  
 1.0e-11 | 7.91e-04  
---------|----------- 
passed
Forces finite-difference test
---------|----------- 
    h    | error 
---------|----------- 
 1.0e-02 | 4.35e-01  
 1.0e-03 | 4.40e-01  
 1.0e-04 | 4.40e-01  
 1.0e-05 | 4.41e-01  
 1.0e-06 | 4.41e-01  
 1.0e-07 | 4.41e-01  
 1.0e-08 | 4.41e-01  
 1.0e-09 | 4.41e-01  
 1.0e-10 | 4.41e-01  
 1.0e-11 | 4.41e-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 | 2.35e-02  
 1.0e-03 | 2.35e-03  
 1.0e-04 | 2.35e-04  
 1.0e-05 | 2.35e-05  
 1.0e-06 | 2.35e-06  
 1.0e-07 | 2.05e-07  
 1.0e-08 | 7.55e-07  
 1.0e-09 | 5.51e-06  
 1.0e-10 | 4.53e-05  
 1.0e-11 | 7.91e-04  
---------|----------- 
passed
Forces finite-difference test
---------|----------- 
    h    | error 
---------|----------- 
 1.0e-02 | 4.82e-02  
 1.0e-03 | 4.82e-03  
 1.0e-04 | 4.82e-04  
 1.0e-05 | 4.82e-05  
 1.0e-06 | 4.82e-06  
 1.0e-07 | 4.50e-07  
 1.0e-08 | 3.95e-07  
 1.0e-09 | 4.55e-06  
 1.0e-10 | 4.76e-05  
 1.0e-11 | 2.83e-04  
---------|----------- 
passed
Virial finite-difference test
---------|----------- 
    h    | error 
---------|----------- 
 1.0e-02 | 5.35e-01  
 1.0e-03 | 5.31e-01  
 1.0e-04 | 5.31e-01  
 1.0e-05 | 5.30e-01  
 1.0e-06 | 5.30e-01  
 1.0e-07 | 5.30e-01  
 1.0e-08 | 5.30e-01  
 1.0e-09 | 5.30e-01  
 1.0e-10 | 5.30e-01  
 1.0e-11 | 5.30e-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 | 4.81e-02  
 1.0e-03 | 4.81e-03  
 1.0e-04 | 4.81e-04  
 1.0e-05 | 4.81e-05  
 1.0e-06 | 4.81e-06  
 1.0e-07 | 4.71e-07  
 1.0e-08 | 4.35e-07  
 1.0e-09 | 5.41e-06  
 1.0e-10 | 5.04e-05  
 1.0e-11 | 5.66e-04  
---------|----------- 
passed
Virial finite-difference test
---------|----------- 
    h    | error 
---------|----------- 
 1.0e-02 | 2.03e-02  
 1.0e-03 | 2.03e-03  
 1.0e-04 | 2.03e-04  
 1.0e-05 | 2.03e-05  
 1.0e-06 | 2.03e-06  
 1.0e-07 | 1.82e-07  
 1.0e-08 | 2.11e-07  
 1.0e-09 | 4.83e-06  
 1.0e-10 | 3.42e-05  
 1.0e-11 | 6.21e-04  
---------|----------- 
passed
Forces finite-difference test
---------|----------- 
    h    | error 
---------|----------- 
 1.0e-02 | 4.88e-01  
 1.0e-03 | 4.68e-01  
 1.0e-04 | 4.66e-01  
 1.0e-05 | 4.66e-01  
 1.0e-06 | 4.66e-01  
 1.0e-07 | 4.66e-01  
 1.0e-08 | 4.66e-01  
 1.0e-09 | 4.66e-01  
 1.0e-10 | 4.66e-01  
 1.0e-11 | 4.66e-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 | 1.90e-02  
 1.0e-03 | 1.90e-03  
 1.0e-04 | 1.90e-04  
 1.0e-05 | 1.90e-05  
 1.0e-06 | 1.90e-06  
 1.0e-07 | 1.93e-07  
 1.0e-08 | 2.65e-07  
 1.0e-09 | 2.57e-06  
 1.0e-10 | 4.42e-05  
 1.0e-11 | 5.06e-04  
---------|----------- 
passed
Forces finite-difference test
---------|----------- 
    h    | error 
---------|----------- 
 1.0e-02 | 5.57e-02  
 1.0e-03 | 5.57e-03  
 1.0e-04 | 5.57e-04  
 1.0e-05 | 5.57e-05  
 1.0e-06 | 5.57e-06  
 1.0e-07 | 5.78e-07  
 1.0e-08 | 6.21e-07  
 1.0e-09 | 3.55e-06  
 1.0e-10 | 4.08e-05  
 1.0e-11 | 2.45e-04  
---------|----------- 
passed
Virial finite-difference test
---------|----------- 
    h    | error 
---------|----------- 
 1.0e-02 | 4.47e-01  
 1.0e-03 | 4.41e-01  
 1.0e-04 | 4.41e-01  
 1.0e-05 | 4.40e-01  
 1.0e-06 | 4.40e-01  
 1.0e-07 | 4.40e-01  
 1.0e-08 | 4.40e-01  
 1.0e-09 | 4.40e-01  
 1.0e-10 | 4.40e-01  
 1.0e-11 | 4.40e-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 | 5.84e-02  
 1.0e-03 | 5.83e-03  
 1.0e-04 | 5.83e-04  
 1.0e-05 | 5.83e-05  
 1.0e-06 | 5.84e-06  
 1.0e-07 | 6.08e-07  
 1.0e-08 | 6.09e-07  
 1.0e-09 | 3.70e-06  
 1.0e-10 | 2.82e-05  
 1.0e-11 | 5.31e-04  
---------|----------- 
passed
Forces finite-difference test
---------|----------- 
    h    | error 
---------|----------- 
 1.0e-02 | 4.78e-01  
 1.0e-03 | 4.80e-01  
 1.0e-04 | 4.80e-01  
 1.0e-05 | 4.80e-01  
 1.0e-06 | 4.80e-01  
 1.0e-07 | 4.80e-01  
 1.0e-08 | 4.80e-01  
 1.0e-09 | 4.80e-01  
 1.0e-10 | 4.80e-01  
 1.0e-11 | 4.80e-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 | 5.99e-02  
 1.0e-03 | 5.99e-03  
 1.0e-04 | 5.99e-04  
 1.0e-05 | 5.99e-05  
 1.0e-06 | 5.98e-06  
 1.0e-07 | 5.94e-07  
 1.0e-08 | 3.36e-07  
 1.0e-09 | 2.47e-06  
 1.0e-10 | 3.64e-05  
 1.0e-11 | 3.23e-04  
---------|----------- 
passed
Forces finite-difference test
---------|----------- 
    h    | error 
---------|----------- 
 1.0e-02 | 5.24e-01  
 1.0e-03 | 5.14e-01  
 1.0e-04 | 5.13e-01  
 1.0e-05 | 5.13e-01  
 1.0e-06 | 5.13e-01  
 1.0e-07 | 5.13e-01  
 1.0e-08 | 5.13e-01  
 1.0e-09 | 5.13e-01  
 1.0e-10 | 5.13e-01  
 1.0e-11 | 5.13e-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 | 4.98e-02  
 1.0e-03 | 4.99e-03  
 1.0e-04 | 4.99e-04  
 1.0e-05 | 4.99e-05  
 1.0e-06 | 4.99e-06  
 1.0e-07 | 5.13e-07  
 1.0e-08 | 3.99e-07  
 1.0e-09 | 4.14e-06  
 1.0e-10 | 3.14e-05  
 1.0e-11 | 2.31e-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/2ZKtJ/src/testing/fdtests.jl:49
Virial finite-difference test
---------|----------- 
    h    | error 
---------|----------- 
 1.0e-02 | 2.58e-02  
 1.0e-03 | 2.58e-03  
 1.0e-04 | 2.58e-04  
 1.0e-05 | 2.58e-05  
 1.0e-06 | 2.58e-06  
 1.0e-07 | 2.43e-07  
 1.0e-08 | 4.28e-07  
 1.0e-09 | 3.54e-06  
 1.0e-10 | 3.86e-05  
 1.0e-11 | 6.08e-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 | 4.96e-02  
 1.0e-03 | 4.97e-03  
 1.0e-04 | 4.97e-04  
 1.0e-05 | 4.97e-05  
 1.0e-06 | 4.98e-06  
 1.0e-07 | 4.94e-07  
 1.0e-08 | 3.31e-07  
 1.0e-09 | 2.75e-06  
 1.0e-10 | 3.60e-05  
 1.0e-11 | 2.08e-04  
---------|----------- 
passed
Virial finite-difference test
---------|----------- 
    h    | error 
---------|----------- 
 1.0e-02 | 2.67e-02  
 1.0e-03 | 2.67e-03  
 1.0e-04 | 2.67e-04  
 1.0e-05 | 2.67e-05  
 1.0e-06 | 2.67e-06  
 1.0e-07 | 2.48e-07  
 1.0e-08 | 4.17e-07  
 1.0e-09 | 6.21e-06  
 1.0e-10 | 5.94e-05  
 1.0e-11 | 6.16e-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 | 5.75e-03  
 1.0e-04 | 5.75e-04  
 1.0e-05 | 5.75e-05  
 1.0e-06 | 5.75e-06  
 1.0e-07 | 5.73e-07  
 1.0e-08 | 3.21e-07  
 1.0e-09 | 2.84e-06  
 1.0e-10 | 3.11e-05  
 1.0e-11 | 4.81e-04  
 1.0e-12 | 3.15e-03  
---------|----------- 
passed
Virial finite-difference test
---------|----------- 
    h    | error 
---------|----------- 
 1.0e-02 | 1.52e-02  
 1.0e-03 | 1.52e-03  
 1.0e-04 | 1.52e-04  
 1.0e-05 | 1.52e-05  
 1.0e-06 | 1.52e-06  
 1.0e-07 | 1.66e-07  
 1.0e-08 | 4.12e-07  
 1.0e-09 | 3.08e-06  
 1.0e-10 | 4.34e-05  
 1.0e-11 | 2.40e-04  
---------|----------- 
passed
Test Summary:                | Pass  Total     Time
AtomsCalculatorsUtilities.jl |  457    457  2m01.4s
     Testing AtomsCalculatorsUtilities tests passed 

Testing completed after 132.01s

PkgEval succeeded after 182.02s