Package evaluation to test AtomsCalculatorsUtilities on Julia 1.14.0-DEV.1893 (b4aba01002*) started at 2026-03-15T20:45:54.460


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

Installing PkgEval dependencies (TestEnv)...
  Activating project at `~/.julia/environments/v1.14`

Set-up completed after 13.86s


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

Installing AtomsCalculatorsUtilities...
   Resolving package versions...
    Updating `~/.julia/environments/v1.14/Project.toml`
  [9855a07e] + AtomsCalculatorsUtilities v0.1.8
    Updating `~/.julia/environments/v1.14/Manifest.toml`
  [7d9f7c33] + Accessors v0.1.43
  [79e6a3ab] + Adapt v4.5.0
  [dce04be8] + ArgCheck v2.5.0
  [a963bdd2] + AtomsBase v0.5.2
  [a3e0e189] + AtomsCalculators v0.2.3
  [9855a07e] + AtomsCalculatorsUtilities v0.1.8
  [198e06fe] + BangBang v0.4.8
  [9718e550] + Baselet v0.1.1
  [8ce10254] + Bumper v0.7.1
  [ae650224] + ChunkSplitters v3.2.0
  [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 v1.3.2
  [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 v1.3.3
  [21216c6a] + Preferences v1.5.2
  [42d2dcc6] + Referenceables v0.1.3
  [ae029012] + Requires v1.3.1
  [efcf1570] + Setfield v1.1.2
  [276daf66] + SpecialFunctions v2.7.1
  [171d559e] + SplittablesBase v0.1.15
  [90137ffa] + StaticArrays v1.9.18
  [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 v1.28.0
  [a7773ee8] + UnitfulAtomic v1.0.0
  [c4a57d5a] + UnsafeArrays v1.0.8
  [efe28fd5] + OpenSpecFun_jll v0.5.6+0
  [56f22d72] + Artifacts v1.11.0
  [2a0f44e3] + Base64 v1.11.0
  [ade2ca70] + Dates v1.11.0
  [8ba89e20] + Distributed v1.11.0
  [9fa8497b] + Future v1.11.0
  [b77e0a4c] + InteractiveUtils v1.11.0
  [ac6e5ff7] + JuliaSyntaxHighlighting v1.13.0
  [8f399da3] + Libdl v1.11.0
  [37e2e46d] + LinearAlgebra v1.13.0
  [56ddb016] + Logging v1.11.0
  [d6f4376e] + Markdown v1.11.0
  [de0858da] + Printf v1.11.0
  [9a3f8284] + Random v1.11.0
  [ea8e919c] + SHA v1.0.0
  [9e88b42a] + Serialization v1.11.0
  [6462fe0b] + Sockets v1.11.0
  [f489334b] + StyledStrings v1.13.0
  [fa267f1f] + TOML v1.0.3
  [8dfed614] + Test v1.11.0
  [cf7118a7] + UUIDs v1.11.0
  [4ec0a83e] + Unicode v1.11.0
  [e66e0078] + CompilerSupportLibraries_jll v1.3.0+1
  [4536629a] + OpenBLAS_jll v0.3.30+0
  [05823500] + OpenLibm_jll v0.8.7+0
  [8e850b90] + libblastrampoline_jll v5.15.0+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 5.75s


################################################################################
# Precompilation
#

Precompiling PkgEval dependencies...

Precompiling package dependencies...
Precompiling packages...
  11402.0 ms  ✓ AtomsCalculatorsUtilities
  1 dependency successfully precompiled in 12 seconds. 89 already precompiled.
  9 dependencies precompiled but different versions are currently loaded (Base64, Dates, JuliaSyntaxHighlighting, Logging, Markdown, Printf, StyledStrings, TOML and UUIDs). Restart julia to access the new versions. Otherwise, 46 dependents of these packages may trigger further precompilation to work with the unexpected versions.

Precompilation completed after 35.9s


################################################################################
# Testing
#

     Testing AtomsCalculatorsUtilities
      Status `/tmp/jl_mzzu9M/Project.toml`
  [a963bdd2] AtomsBase v0.5.2
  [a3e0e189] AtomsCalculators v0.2.3
  [9855a07e] AtomsCalculatorsUtilities v0.1.8
  [8ce10254] Bumper v0.7.1
  [ae650224] ChunkSplitters v3.2.0
  [163ba53b] DiffResults v1.1.0
  [41a02a25] Folds v0.2.10
  [f6369f11] ForwardDiff v1.3.2
⌅ [2fcf5ba9] NeighbourLists v0.5.10
  [90137ffa] StaticArrays v1.9.18
  [1986cc42] Unitful v1.28.0
  [a7773ee8] UnitfulAtomic v1.0.0
  [37e2e46d] LinearAlgebra v1.13.0
  [de0858da] Printf v1.11.0
  [6462fe0b] Sockets v1.11.0
  [8dfed614] Test v1.11.0
      Status `/tmp/jl_mzzu9M/Manifest.toml`
  [7d9f7c33] Accessors v0.1.43
  [79e6a3ab] Adapt v4.5.0
  [dce04be8] ArgCheck v2.5.0
  [a963bdd2] AtomsBase v0.5.2
  [a3e0e189] AtomsCalculators v0.2.3
  [9855a07e] AtomsCalculatorsUtilities v0.1.8
  [198e06fe] BangBang v0.4.8
  [9718e550] Baselet v0.1.1
  [8ce10254] Bumper v0.7.1
  [ae650224] ChunkSplitters v3.2.0
  [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 v1.3.2
  [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 v1.3.3
  [21216c6a] Preferences v1.5.2
  [42d2dcc6] Referenceables v0.1.3
  [ae029012] Requires v1.3.1
  [efcf1570] Setfield v1.1.2
  [276daf66] SpecialFunctions v2.7.1
  [171d559e] SplittablesBase v0.1.15
  [90137ffa] StaticArrays v1.9.18
  [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 v1.28.0
  [a7773ee8] UnitfulAtomic v1.0.0
  [c4a57d5a] UnsafeArrays v1.0.8
  [efe28fd5] OpenSpecFun_jll v0.5.6+0
  [56f22d72] Artifacts v1.11.0
  [2a0f44e3] Base64 v1.11.0
  [ade2ca70] Dates v1.11.0
  [8ba89e20] Distributed v1.11.0
  [9fa8497b] Future v1.11.0
  [b77e0a4c] InteractiveUtils v1.11.0
  [ac6e5ff7] JuliaSyntaxHighlighting v1.13.0
  [8f399da3] Libdl v1.11.0
  [37e2e46d] LinearAlgebra v1.13.0
  [56ddb016] Logging v1.11.0
  [d6f4376e] Markdown v1.11.0
  [de0858da] Printf v1.11.0
  [9a3f8284] Random v1.11.0
  [ea8e919c] SHA v1.0.0
  [9e88b42a] Serialization v1.11.0
  [6462fe0b] Sockets v1.11.0
  [f489334b] StyledStrings v1.13.0
  [fa267f1f] TOML v1.0.3
  [8dfed614] Test v1.11.0
  [cf7118a7] UUIDs v1.11.0
  [4ec0a83e] Unicode v1.11.0
  [e66e0078] CompilerSupportLibraries_jll v1.3.0+1
  [4536629a] OpenBLAS_jll v0.3.30+0
  [05823500] OpenLibm_jll v0.8.7+0
  [8e850b90] libblastrampoline_jll v5.15.0+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 | 5.26e-02  
 1.0e-03 | 5.27e-03  
 1.0e-04 | 5.27e-04  
 1.0e-05 | 5.27e-05  
 1.0e-06 | 5.27e-06  
 1.0e-07 | 5.46e-07  
 1.0e-08 | 4.19e-07  
 1.0e-09 | 2.69e-06  
 1.0e-10 | 3.50e-05  
 1.0e-11 | 2.06e-04  
---------|----------- 
passed
Virial finite-difference test
---------|----------- 
    h    | error 
---------|----------- 
 1.0e-02 | 1.70e-02  
 1.0e-03 | 1.70e-03  
 1.0e-04 | 1.70e-04  
 1.0e-05 | 1.70e-05  
 1.0e-06 | 1.69e-06  
 1.0e-07 | 1.84e-07  
 1.0e-08 | 4.56e-07  
 1.0e-09 | 2.57e-06  
 1.0e-10 | 3.34e-05  
 1.0e-11 | 3.95e-04  
---------|----------- 
passed
Forces finite-difference test
---------|----------- 
    h    | error 
---------|----------- 
 1.0e-02 | 5.03e-01  
 1.0e-03 | 4.90e-01  
 1.0e-04 | 4.89e-01  
 1.0e-05 | 4.89e-01  
 1.0e-06 | 4.89e-01  
 1.0e-07 | 4.89e-01  
 1.0e-08 | 4.89e-01  
 1.0e-09 | 4.89e-01  
 1.0e-10 | 4.89e-01  
 1.0e-11 | 4.89e-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 | 1.70e-02  
 1.0e-03 | 1.70e-03  
 1.0e-04 | 1.70e-04  
 1.0e-05 | 1.70e-05  
 1.0e-06 | 1.69e-06  
 1.0e-07 | 1.84e-07  
 1.0e-08 | 4.56e-07  
 1.0e-09 | 2.57e-06  
 1.0e-10 | 3.34e-05  
 1.0e-11 | 3.95e-04  
---------|----------- 
passed
Forces finite-difference test
---------|----------- 
    h    | error 
---------|----------- 
 1.0e-02 | 5.26e-02  
 1.0e-03 | 5.27e-03  
 1.0e-04 | 5.27e-04  
 1.0e-05 | 5.27e-05  
 1.0e-06 | 5.27e-06  
 1.0e-07 | 5.46e-07  
 1.0e-08 | 4.19e-07  
 1.0e-09 | 2.69e-06  
 1.0e-10 | 3.50e-05  
 1.0e-11 | 2.06e-04  
---------|----------- 
passed
Virial finite-difference test
---------|----------- 
    h    | error 
---------|----------- 
 1.0e-02 | 4.19e-01  
 1.0e-03 | 4.14e-01  
 1.0e-04 | 4.14e-01  
 1.0e-05 | 4.14e-01  
 1.0e-06 | 4.14e-01  
 1.0e-07 | 4.14e-01  
 1.0e-08 | 4.14e-01  
 1.0e-09 | 4.14e-01  
 1.0e-10 | 4.14e-01  
 1.0e-11 | 4.13e-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 | 6.10e-02  
 1.0e-03 | 6.09e-03  
 1.0e-04 | 6.09e-04  
 1.0e-05 | 6.09e-05  
 1.0e-06 | 6.09e-06  
 1.0e-07 | 6.18e-07  
 1.0e-08 | 3.24e-07  
 1.0e-09 | 4.10e-06  
 1.0e-10 | 3.43e-05  
 1.0e-11 | 4.66e-04  
---------|----------- 
passed
Virial finite-difference test
---------|----------- 
    h    | error 
---------|----------- 
 1.0e-02 | 2.39e-02  
 1.0e-03 | 2.39e-03  
 1.0e-04 | 2.39e-04  
 1.0e-05 | 2.39e-05  
 1.0e-06 | 2.39e-06  
 1.0e-07 | 2.44e-07  
 1.0e-08 | 3.40e-07  
 1.0e-09 | 4.39e-06  
 1.0e-10 | 4.16e-05  
 1.0e-11 | 3.23e-04  
---------|----------- 
passed
Forces finite-difference test
---------|----------- 
    h    | error 
---------|----------- 
 1.0e-02 | 4.75e-01  
 1.0e-03 | 4.51e-01  
 1.0e-04 | 4.49e-01  
 1.0e-05 | 4.49e-01  
 1.0e-06 | 4.49e-01  
 1.0e-07 | 4.49e-01  
 1.0e-08 | 4.49e-01  
 1.0e-09 | 4.49e-01  
 1.0e-10 | 4.49e-01  
 1.0e-11 | 4.49e-01  
---------|----------- 
┌ Warning: It seems the finite-difference test has failed, which indicates
│ that there is an inconsistency between the function and gradient
│ evaluation. Please double-check this manually / visually. (It is
│ also possible that the function being tested is poorly scaled.)
└ @ AtomsCalculatorsUtilities.Testing ~/.julia/packages/AtomsCalculatorsUtilities/2ZKtJ/src/testing/fdtests.jl:49
Virial finite-difference test
---------|----------- 
    h    | error 
---------|----------- 
 1.0e-02 | 2.86e-02  
 1.0e-03 | 2.86e-03  
 1.0e-04 | 2.86e-04  
 1.0e-05 | 2.86e-05  
 1.0e-06 | 2.86e-06  
 1.0e-07 | 2.69e-07  
 1.0e-08 | 3.68e-07  
 1.0e-09 | 5.63e-06  
 1.0e-10 | 4.18e-05  
 1.0e-11 | 4.91e-04  
---------|----------- 
passed
Forces finite-difference test
---------|----------- 
    h    | error 
---------|----------- 
 1.0e-02 | 5.66e-02  
 1.0e-03 | 5.64e-03  
 1.0e-04 | 5.64e-04  
 1.0e-05 | 5.64e-05  
 1.0e-06 | 5.64e-06  
 1.0e-07 | 5.59e-07  
 1.0e-08 | 4.80e-07  
 1.0e-09 | 5.28e-06  
 1.0e-10 | 2.97e-05  
 1.0e-11 | 2.22e-04  
---------|----------- 
passed
Virial finite-difference test
---------|----------- 
    h    | error 
---------|----------- 
 1.0e-02 | 6.30e-01  
 1.0e-03 | 6.26e-01  
 1.0e-04 | 6.26e-01  
 1.0e-05 | 6.26e-01  
 1.0e-06 | 6.26e-01  
 1.0e-07 | 6.26e-01  
 1.0e-08 | 6.26e-01  
 1.0e-09 | 6.26e-01  
 1.0e-10 | 6.26e-01  
 1.0e-11 | 6.26e-01  
---------|----------- 
┌ Warning: It seems the finite-difference test has failed, which indicates
│ that there is an inconsistency between the function and gradient
│ evaluation. Please double-check this manually / visually. (It is
│ also possible that the function being tested is poorly scaled.)
└ @ AtomsCalculatorsUtilities.Testing ~/.julia/packages/AtomsCalculatorsUtilities/2ZKtJ/src/testing/fdtests.jl:49
┌ 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 | 4.79e-02  
 1.0e-03 | 4.80e-03  
 1.0e-04 | 4.80e-04  
 1.0e-05 | 4.80e-05  
 1.0e-06 | 4.80e-06  
 1.0e-07 | 4.83e-07  
 1.0e-08 | 3.24e-07  
 1.0e-09 | 4.92e-06  
 1.0e-10 | 3.10e-05  
 1.0e-11 | 3.25e-04  
---------|----------- 
passed
Forces finite-difference test
---------|----------- 
    h    | error 
---------|----------- 
 1.0e-02 | 3.92e-01  
 1.0e-03 | 4.07e-01  
 1.0e-04 | 4.09e-01  
 1.0e-05 | 4.09e-01  
 1.0e-06 | 4.09e-01  
 1.0e-07 | 4.09e-01  
 1.0e-08 | 4.09e-01  
 1.0e-09 | 4.09e-01  
 1.0e-10 | 4.09e-01  
 1.0e-11 | 4.09e-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 | 3.45e-02  
 1.0e-03 | 3.43e-03  
 1.0e-04 | 3.43e-04  
 1.0e-05 | 3.43e-05  
 1.0e-06 | 3.43e-06  
 1.0e-07 | 3.46e-07  
 1.0e-08 | 2.48e-07  
 1.0e-09 | 3.03e-06  
 1.0e-10 | 3.60e-05  
 1.0e-11 | 3.19e-04  
---------|----------- 
passed
Forces finite-difference test
---------|----------- 
    h    | error 
---------|----------- 
 1.0e-02 | 3.67e-01  
 1.0e-03 | 3.56e-01  
 1.0e-04 | 3.55e-01  
 1.0e-05 | 3.55e-01  
 1.0e-06 | 3.55e-01  
 1.0e-07 | 3.55e-01  
 1.0e-08 | 3.55e-01  
 1.0e-09 | 3.55e-01  
 1.0e-10 | 3.55e-01  
 1.0e-11 | 3.55e-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 | 5.89e-02  
 1.0e-03 | 5.88e-03  
 1.0e-04 | 5.87e-04  
 1.0e-05 | 5.87e-05  
 1.0e-06 | 5.87e-06  
 1.0e-07 | 5.88e-07  
 1.0e-08 | 3.20e-07  
 1.0e-09 | 3.41e-06  
 1.0e-10 | 2.73e-05  
 1.0e-11 | 2.82e-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 | 1.94e-02  
 1.0e-03 | 1.94e-03  
 1.0e-04 | 1.94e-04  
 1.0e-05 | 1.94e-05  
 1.0e-06 | 1.94e-06  
 1.0e-07 | 1.97e-07  
 1.0e-08 | 4.30e-07  
 1.0e-09 | 2.38e-06  
 1.0e-10 | 3.67e-05  
 1.0e-11 | 2.76e-04  
---------|----------- 
┌ Warning: It seems the finite-difference test has failed, which indicates
│ that there is an inconsistency between the function and gradient
│ evaluation. Please double-check this manually / visually. (It is
│ also possible that the function being tested is poorly scaled.)
└ @ AtomsCalculatorsUtilities.Testing ~/.julia/packages/AtomsCalculatorsUtilities/2ZKtJ/src/testing/fdtests.jl:49
Forces finite-difference test
---------|----------- 
    h    | error 
---------|----------- 
 1.0e-02 | 5.72e-02  
 1.0e-03 | 5.74e-03  
 1.0e-04 | 5.74e-04  
 1.0e-05 | 5.74e-05  
 1.0e-06 | 5.74e-06  
 1.0e-07 | 5.81e-07  
 1.0e-08 | 1.77e-07  
 1.0e-09 | 2.61e-06  
 1.0e-10 | 1.95e-05  
 1.0e-11 | 2.40e-04  
---------|----------- 
passed
Virial finite-difference test
---------|----------- 
    h    | error 
---------|----------- 
 1.0e-02 | 1.93e-02  
 1.0e-03 | 1.93e-03  
 1.0e-04 | 1.93e-04  
 1.0e-05 | 1.93e-05  
 1.0e-06 | 1.93e-06  
 1.0e-07 | 1.73e-07  
 1.0e-08 | 4.13e-07  
 1.0e-09 | 5.01e-06  
 1.0e-10 | 5.79e-05  
 1.0e-11 | 6.22e-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 | 5.28e-03  
 1.0e-04 | 5.28e-04  
 1.0e-05 | 5.28e-05  
 1.0e-06 | 5.29e-06  
 1.0e-07 | 5.17e-07  
 1.0e-08 | 5.26e-07  
 1.0e-09 | 4.37e-06  
 1.0e-10 | 3.54e-05  
 1.0e-11 | 5.56e-04  
 1.0e-12 | 3.99e-03  
---------|----------- 
passed
Virial finite-difference test
---------|----------- 
    h    | error 
---------|----------- 
 1.0e-02 | 1.98e-02  
 1.0e-03 | 1.99e-03  
 1.0e-04 | 1.99e-04  
 1.0e-05 | 1.99e-05  
 1.0e-06 | 1.99e-06  
 1.0e-07 | 1.84e-07  
 1.0e-08 | 2.34e-07  
 1.0e-09 | 3.41e-06  
 1.0e-10 | 4.06e-05  
 1.0e-11 | 5.56e-04  
---------|----------- 
passed
Test Summary:                | Pass  Total     Time
AtomsCalculatorsUtilities.jl |  457    457  2m14.6s
     Testing AtomsCalculatorsUtilities tests passed 

Testing completed after 145.83s

PkgEval succeeded after 216.82s