If you think that there is an error in how your package is being tested or represented, please file an issue at NewPkgEval.jl , making sure to read the FAQ first.
Results with Julia v1.2.0
Testing was interrupted : test duration exceeded the time limit.
Last evaluation was ago and took 1 hour, 10 seconds.
Click here to download the log file.
Click here to show the log contents.
Resolving package versions...
Installed Missings ─────────────── v0.4.3
Installed DataAPI ──────────────── v1.1.0
Installed NeighbourLists ───────── v0.5.0
Installed CommonSubexpressions ─── v0.2.0
Installed LineSearches ─────────── v7.0.1
Installed BinaryProvider ───────── v0.5.8
Installed JuLIP ────────────────── v0.8.2
Installed StatsBase ────────────── v0.32.0
Installed URIParser ────────────── v0.4.0
Installed Requires ─────────────── v0.5.2
Installed Reexport ─────────────── v0.2.0
Installed Compat ───────────────── v2.2.0
Installed ForwardDiff ──────────── v0.10.7
Installed FunctionWrappers ─────── v1.0.0
Installed NLSolversBase ────────── v7.5.0
Installed AlgebraicMultigrid ───── v0.2.2
Installed Calculus ─────────────── v0.5.1
Installed OrderedCollections ───── v1.1.0
Installed RecipesBase ──────────── v0.7.0
Installed DataStructures ───────── v0.17.6
Installed Parsers ──────────────── v0.3.10
Installed FillArrays ───────────── v0.8.2
Installed IterativeSolvers ─────── v0.8.1
Installed DiffEqDiffTools ──────── v1.5.0
Installed JSON ─────────────────── v0.21.0
Installed Parameters ───────────── v0.12.0
Installed DiffRules ────────────── v0.1.0
Installed ArrayInterface ───────── v2.0.0
Installed NaNMath ──────────────── v0.3.3
Installed SortingAlgorithms ────── v0.3.1
Installed DiffResults ──────────── v0.0.4
Installed PositiveFactorizations ─ v0.2.3
Installed StaticArrays ─────────── v0.12.1
Installed Dierckx ──────────────── v0.4.1
Installed MacroTools ───────────── v0.5.2
Installed BinDeps ──────────────── v0.8.10
Installed SpecialFunctions ─────── v0.8.0
Installed Optim ────────────────── v0.19.5
Updating `~/.julia/environments/v1.2/Project.toml`
[945c410c] + JuLIP v0.8.2
Updating `~/.julia/environments/v1.2/Manifest.toml`
[2169fc97] + AlgebraicMultigrid v0.2.2
[4fba245c] + ArrayInterface v2.0.0
[9e28174c] + BinDeps v0.8.10
[b99e7846] + BinaryProvider v0.5.8
[49dc2e85] + Calculus v0.5.1
[bbf7d656] + CommonSubexpressions v0.2.0
[34da2185] + Compat v2.2.0
[9a962f9c] + DataAPI v1.1.0
[864edb3b] + DataStructures v0.17.6
[39dd38d3] + Dierckx v0.4.1
[01453d9d] + DiffEqDiffTools v1.5.0
[163ba53b] + DiffResults v0.0.4
[b552c78f] + DiffRules v0.1.0
[1a297f60] + FillArrays v0.8.2
[f6369f11] + ForwardDiff v0.10.7
[069b7b12] + FunctionWrappers v1.0.0
[42fd0dbc] + IterativeSolvers v0.8.1
[682c06a0] + JSON v0.21.0
[945c410c] + JuLIP v0.8.2
[d3d80556] + LineSearches v7.0.1
[1914dd2f] + MacroTools v0.5.2
[e1d29d7a] + Missings v0.4.3
[d41bc354] + NLSolversBase v7.5.0
[77ba4419] + NaNMath v0.3.3
[2fcf5ba9] + NeighbourLists v0.5.0
[429524aa] + Optim v0.19.5
[bac558e1] + OrderedCollections v1.1.0
[d96e819e] + Parameters v0.12.0
[69de0a69] + Parsers v0.3.10
[85a6dd25] + PositiveFactorizations v0.2.3
[3cdcf5f2] + RecipesBase v0.7.0
[189a3867] + Reexport v0.2.0
[ae029012] + Requires v0.5.2
[a2af1166] + SortingAlgorithms v0.3.1
[276daf66] + SpecialFunctions v0.8.0
[90137ffa] + StaticArrays v0.12.1
[2913bbd2] + StatsBase v0.32.0
[30578b45] + URIParser v0.4.0
[2a0f44e3] + Base64
[ade2ca70] + Dates
[8bb1440f] + DelimitedFiles
[8ba89e20] + Distributed
[b77e0a4c] + InteractiveUtils
[76f85450] + LibGit2
[8f399da3] + Libdl
[37e2e46d] + LinearAlgebra
[56ddb016] + Logging
[d6f4376e] + Markdown
[a63ad114] + Mmap
[44cfe95a] + Pkg
[de0858da] + Printf
[3fa0cd96] + REPL
[9a3f8284] + Random
[ea8e919c] + SHA
[9e88b42a] + Serialization
[1a1011a3] + SharedArrays
[6462fe0b] + Sockets
[2f01184e] + SparseArrays
[10745b16] + Statistics
[4607b0f0] + SuiteSparse
[8dfed614] + Test
[cf7118a7] + UUIDs
[4ec0a83e] + Unicode
Building Dierckx ─────────→ `~/.julia/packages/Dierckx/9SY4A/deps/build.log`
Building SpecialFunctions → `~/.julia/packages/SpecialFunctions/ne2iw/deps/build.log`
Testing JuLIP
Resolving package versions...
Installed BenchmarkTools ─ v0.4.3
Status `/tmp/jl_iBfjK2/Manifest.toml`
[2169fc97] AlgebraicMultigrid v0.2.2
[4fba245c] ArrayInterface v2.0.0
[6e4b80f9] BenchmarkTools v0.4.3
[9e28174c] BinDeps v0.8.10
[b99e7846] BinaryProvider v0.5.8
[49dc2e85] Calculus v0.5.1
[bbf7d656] CommonSubexpressions v0.2.0
[34da2185] Compat v2.2.0
[9a962f9c] DataAPI v1.1.0
[864edb3b] DataStructures v0.17.6
[39dd38d3] Dierckx v0.4.1
[01453d9d] DiffEqDiffTools v1.5.0
[163ba53b] DiffResults v0.0.4
[b552c78f] DiffRules v0.1.0
[1a297f60] FillArrays v0.8.2
[f6369f11] ForwardDiff v0.10.7
[069b7b12] FunctionWrappers v1.0.0
[42fd0dbc] IterativeSolvers v0.8.1
[682c06a0] JSON v0.21.0
[945c410c] JuLIP v0.8.2
[d3d80556] LineSearches v7.0.1
[1914dd2f] MacroTools v0.5.2
[e1d29d7a] Missings v0.4.3
[d41bc354] NLSolversBase v7.5.0
[77ba4419] NaNMath v0.3.3
[2fcf5ba9] NeighbourLists v0.5.0
[429524aa] Optim v0.19.5
[bac558e1] OrderedCollections v1.1.0
[d96e819e] Parameters v0.12.0
[69de0a69] Parsers v0.3.10
[85a6dd25] PositiveFactorizations v0.2.3
[3cdcf5f2] RecipesBase v0.7.0
[189a3867] Reexport v0.2.0
[ae029012] Requires v0.5.2
[a2af1166] SortingAlgorithms v0.3.1
[276daf66] SpecialFunctions v0.8.0
[90137ffa] StaticArrays v0.12.1
[2913bbd2] StatsBase v0.32.0
[30578b45] URIParser v0.4.0
[2a0f44e3] Base64 [`@stdlib/Base64`]
[ade2ca70] Dates [`@stdlib/Dates`]
[8bb1440f] DelimitedFiles [`@stdlib/DelimitedFiles`]
[8ba89e20] Distributed [`@stdlib/Distributed`]
[b77e0a4c] InteractiveUtils [`@stdlib/InteractiveUtils`]
[76f85450] LibGit2 [`@stdlib/LibGit2`]
[8f399da3] Libdl [`@stdlib/Libdl`]
[37e2e46d] LinearAlgebra [`@stdlib/LinearAlgebra`]
[56ddb016] Logging [`@stdlib/Logging`]
[d6f4376e] Markdown [`@stdlib/Markdown`]
[a63ad114] Mmap [`@stdlib/Mmap`]
[44cfe95a] Pkg [`@stdlib/Pkg`]
[de0858da] Printf [`@stdlib/Printf`]
[3fa0cd96] REPL [`@stdlib/REPL`]
[9a3f8284] Random [`@stdlib/Random`]
[ea8e919c] SHA [`@stdlib/SHA`]
[9e88b42a] Serialization [`@stdlib/Serialization`]
[1a1011a3] SharedArrays [`@stdlib/SharedArrays`]
[6462fe0b] Sockets [`@stdlib/Sockets`]
[2f01184e] SparseArrays [`@stdlib/SparseArrays`]
[10745b16] Statistics [`@stdlib/Statistics`]
[4607b0f0] SuiteSparse [`@stdlib/SuiteSparse`]
[8dfed614] Test [`@stdlib/Test`]
[cf7118a7] UUIDs [`@stdlib/UUIDs`]
[4ec0a83e] Unicode [`@stdlib/Unicode`]
≡≡≡≡≡≡≡≡≡≡≡≡≡≡≡≡≡≡≡≡≡
JuLIP Tests
≡≡≡≡≡≡≡≡≡≡≡≡≡≡≡≡≡≡≡≡≡
[ Info: preparing the tests...
[ Info: Loading some interatomic potentials . .
. . done.
[ Info: on CI : don't run solver tests
=======================
Testset Miscellaneous
=======================
==========
Test Aux
==========
--------------------------
matrix <-> vec conversions
--------------------------
Test Passed
Test Passed
Test Passed
Test Passed
Test Passed
===============
Testset Atoms
===============
check that `bulk` evaluates ok...
Test Passed
... and that we can repeat it.
Test Passed
check deepcopy and == ...
Test Passed
Check setindex! and getindex ...
Test Passed
┌ Warning: `a::StaticArray + b::Number` is deprecated, use `a .+ b` instead.
│ caller = top-level scope at test_atoms.jl:23
└ @ Core ~/.julia/packages/JuLIP/WO5HB/test/test_atoms.jl:23
Test Passed
Test Passed
set_positions ...
Test Passed
Test Passed
Test Passed
Test Passed
Test Passed
Test Passed
Test Passed
test set_positions!
Test Passed
Test Passed
test set_momenta!
Test Passed
test set_dofs!, etc
Test Passed
Test Passed
Test Passed
Test Passed
===============
Testset Build
===============
=================
Testset File IO
=================
Testing single `Atoms` <-> `Dict`
Test Passed
Test Passed
Test JSON fio
Test Passed
Test array of Atoms <-> Dict
Test Passed
Test JSON fio for array
Test Passed
============================
Testset Analytic Potential
============================
generate hand-coded morse potential
generate AD morse potential
typeof(morse1) = AnalyticFunction{getfield(Main, Symbol("##5#8")){Float64,Float64,Float64},getfield(Main, Symbol("##6#9")){Float64,Float64,Float64},getfield(Main, Symbol("##7#10")){Float64,Float64,Float64}}
Check consistency of hand-coded and analytic Morse potentials...
Test Passed
Test Passed
------------------------------------------
Performance tests: @analytic vs hand-coded
------------------------------------------
Evaluations of @analytic Potential
111.983 μs (1000 allocations: 109.38 KiB)
Evaluations hand-coded Potential
81.914 μs (2000 allocations: 125.00 KiB)
Grad of @analytic Potential
150.682 μs (2000 allocations: 218.75 KiB)
Grad of hand-coded Potential
123.710 μs (3000 allocations: 250.00 KiB)
====================
Testset Potentials
====================
--------------------------------------
Testing pair potential implementations
--------------------------------------
AnalyticFunction{getfield(JuLIP.Potentials, Symbol("##16#19")){Float64,Float64},getfield(JuLIP.Potentials, Symbol("##17#20")){Float64,Float64},getfield(JuLIP.Potentials, Symbol("##18#21")){Float64,Float64}}(getfield(JuLIP.Potentials, Symbol("##16#19")){Float64,Float64}(1.0, 1.0), getfield(JuLIP.Potentials, Symbol("##17#20")){Float64,Float64}(1.0, 1.0), getfield(JuLIP.Potentials, Symbol("##18#21")){Float64,Float64}(1.0, 1.0))
---------|-----------
h | error
---------|-----------
1.0e-02 | 6.21e+01
1.0e-03 | 6.55e+00
1.0e-04 | 6.59e-01
1.0e-05 | 6.59e-02
1.0e-06 | 6.59e-03
1.0e-07 | 6.59e-04
1.0e-08 | 5.85e-05
1.0e-09 | 3.10e-05
1.0e-10 | 4.79e-04
1.0e-11 | 4.01e-03
---------|-----------
passed
Test Passed
AnalyticFunction{getfield(JuLIP.Potentials, Symbol("##25#28")){Float64,Float64,Float64},getfield(JuLIP.Potentials, Symbol("##26#29")){Float64,Float64,Float64},getfield(JuLIP.Potentials, Symbol("##27#30")){Float64,Float64,Float64}}(getfield(JuLIP.Potentials, Symbol("##25#28")){Float64,Float64,Float64}(4.0, 1.0, 1.0), getfield(JuLIP.Potentials, Symbol("##26#29")){Float64,Float64,Float64}(4.0, 1.0, 1.0), getfield(JuLIP.Potentials, Symbol("##27#30")){Float64,Float64,Float64}(4.0, 1.0, 1.0))
---------|-----------
h | error
---------|-----------
1.0e-02 | 1.19e+00
1.0e-03 | 1.23e-01
1.0e-04 | 1.23e-02
1.0e-05 | 1.23e-03
1.0e-06 | 1.23e-04
1.0e-07 | 1.23e-05
1.0e-08 | 1.13e-06
1.0e-09 | 3.33e-07
1.0e-10 | 4.64e-06
1.0e-11 | 3.61e-05
---------|-----------
passed
Test Passed
JuLIP.Potentials.ProdPot{SWCutoff{Float64},AnalyticFunction{getfield(JuLIP.Potentials, Symbol("##16#19")){Float64,Float64},getfield(JuLIP.Potentials, Symbol("##17#20")){Float64,Float64},getfield(JuLIP.Potentials, Symbol("##18#21")){Float64,Float64}}}(SWCutoff{Float64}(1.0, 3.0, 1.0), AnalyticFunction{getfield(JuLIP.Potentials, Symbol("##16#19")){Float64,Float64},getfield(JuLIP.Potentials, Symbol("##17#20")){Float64,Float64},getfield(JuLIP.Potentials, Symbol("##18#21")){Float64,Float64}}(getfield(JuLIP.Potentials, Symbol("##16#19")){Float64,Float64}(1.0, 1.0), getfield(JuLIP.Potentials, Symbol("##17#20")){Float64,Float64}(1.0, 1.0), getfield(JuLIP.Potentials, Symbol("##18#21")){Float64,Float64}(1.0, 1.0)))
---------|-----------
h | error
---------|-----------
1.0e-02 | 7.17e-04
1.0e-03 | 8.77e-05
1.0e-04 | 8.96e-06
1.0e-05 | 8.98e-07
1.0e-06 | 8.98e-08
1.0e-07 | 8.98e-09
1.0e-08 | 8.85e-10
1.0e-09 | 1.34e-10
1.0e-10 | 4.96e-10
1.0e-11 | 6.56e-10
---------|-----------
passed
Test Passed
JuLIP.Potentials.ProdPot{SplineCutoff,AnalyticFunction{getfield(JuLIP.Potentials, Symbol("##16#19")){Float64,Float64},getfield(JuLIP.Potentials, Symbol("##17#20")){Float64,Float64},getfield(JuLIP.Potentials, Symbol("##18#21")){Float64,Float64}}}(SplineCutoff(2.0, 3.0), AnalyticFunction{getfield(JuLIP.Potentials, Symbol("##16#19")){Float64,Float64},getfield(JuLIP.Potentials, Symbol("##17#20")){Float64,Float64},getfield(JuLIP.Potentials, Symbol("##18#21")){Float64,Float64}}(getfield(JuLIP.Potentials, Symbol("##16#19")){Float64,Float64}(1.0, 1.0), getfield(JuLIP.Potentials, Symbol("##17#20")){Float64,Float64}(1.0, 1.0), getfield(JuLIP.Potentials, Symbol("##18#21")){Float64,Float64}(1.0, 1.0)))
---------|-----------
h | error
---------|-----------
1.0e-02 | 6.21e+01
1.0e-03 | 6.55e+00
1.0e-04 | 6.59e-01
1.0e-05 | 6.59e-02
1.0e-06 | 6.59e-03
1.0e-07 | 6.59e-04
1.0e-08 | 5.85e-05
1.0e-09 | 3.10e-05
1.0e-10 | 4.79e-04
1.0e-11 | 4.01e-03
---------|-----------
passed
Test Passed
Shift{2,AnalyticFunction{getfield(JuLIP.Potentials, Symbol("##16#19")){Float64,Float64},getfield(JuLIP.Potentials, Symbol("##17#20")){Float64,Float64},getfield(JuLIP.Potentials, Symbol("##18#21")){Float64,Float64}},Float64}(Val{2}(), AnalyticFunction{getfield(JuLIP.Potentials, Symbol("##16#19")){Float64,Float64},getfield(JuLIP.Potentials, Symbol("##17#20")){Float64,Float64},getfield(JuLIP.Potentials, Symbol("##18#21")){Float64,Float64}}(getfield(JuLIP.Potentials, Symbol("##16#19")){Float64,Float64}(1.0, 1.0), getfield(JuLIP.Potentials, Symbol("##17#20")){Float64,Float64}(1.0, 1.0), getfield(JuLIP.Potentials, Symbol("##18#21")){Float64,Float64}(1.0, 1.0)), 2.0, -0.0615234375, 0.181640625, -0.6181640625)
---------|-----------
h | error
---------|-----------
1.0e-02 | 6.21e+01
1.0e-03 | 6.55e+00
1.0e-04 | 6.59e-01
1.0e-05 | 6.59e-02
1.0e-06 | 6.59e-03
1.0e-07 | 6.59e-04
1.0e-08 | 5.84e-05
1.0e-09 | 2.90e-05
1.0e-10 | 4.62e-04
1.0e-11 | 4.01e-03
---------|-----------
passed
Test Passed
ZBLPotential{AnalyticFunction{getfield(JuLIP.Potentials, Symbol("##33#36")){Float64,Float64,Float64,Float64,Float64,Float64,Float64,Float64},getfield(JuLIP.Potentials, Symbol("##34#37")){Float64,Float64,Float64,Float64,Float64,Float64,Float64,Float64},getfield(JuLIP.Potentials, Symbol("##35#38")){Float64,Float64,Float64,Float64,Float64,Float64,Float64,Float64}}}(5, 8, AnalyticFunction{getfield(JuLIP.Potentials, Symbol("##33#36")){Float64,Float64,Float64,Float64,Float64,Float64,Float64,Float64},getfield(JuLIP.Potentials, Symbol("##34#37")){Float64,Float64,Float64,Float64,Float64,Float64,Float64,Float64},getfield(JuLIP.Potentials, Symbol("##35#38")){Float64,Float64,Float64,Float64,Float64,Float64,Float64,Float64}}(getfield(JuLIP.Potentials, Symbol("##33#36")){Float64,Float64,Float64,Float64,Float64,Float64,Float64,Float64}(575.985814118274, 0.1818, 0.5099, 0.2802, 0.02817, 20.9148983873684, 6.158783984505388, 1.3176385984042092), getfield(JuLIP.Potentials, Symbol("##34#37")){Float64,Float64,Float64,Float64,Float64,Float64,Float64,Float64}(575.985814118274, 0.1818, 0.5099, 0.2802, 0.02817, 20.9148983873684, 6.158783984505388, 1.3176385984042092), getfield(JuLIP.Potentials, Symbol("##35#38")){Float64,Float64,Float64,Float64,Float64,Float64,Float64,Float64}(575.985814118274, 0.1818, 0.5099, 0.2802, 0.02817, 20.9148983873684, 6.158783984505388, 1.3176385984042092)))
---------|-----------
h | error
---------|-----------
1.0e-02 | 3.84e+00
1.0e-03 | 3.90e-01
1.0e-04 | 3.91e-02
1.0e-05 | 3.91e-03
1.0e-06 | 3.91e-04
1.0e-07 | 3.93e-05
1.0e-08 | 3.66e-06
1.0e-09 | 2.23e-05
1.0e-10 | 1.46e-04
1.0e-11 | 1.32e-03
---------|-----------
passed
Test Passed
-----------------------
testing shift-cutoffs:
-----------------------
HS
Test Passed
Test Passed
V0
Test Passed
Test Passed
V1
Test Passed
Test Passed
V2
Test Passed
Test Passed
----------------------------------
Testing calculator implementations
----------------------------------
--------------------------------
JuLIP.Potentials.ProdPot{SplineCutoff,AnalyticFunction{getfield(JuLIP.Potentials, Symbol("##16#19")){Float64,Float64},getfield(JuLIP.Potentials, Symbol("##17#20")){Float64,Float64},getfield(JuLIP.Potentials, Symbol("##18#21")){Float64,Float64}}}
length(at_) = 72
┌ Warning: `a::StaticArray + b::Number` is deprecated, use `a .+ b` instead.
│ caller = position_to_cell_index(::StaticArrays.SArray{Tuple{3,3},Float64,2,9}, ::StaticArrays.SArray{Tuple{3},Float64,1,3}, ::StaticArrays.SArray{Tuple{3},Int32,1,3}) at cell_list.jl:48
└ @ NeighbourLists ~/.julia/packages/NeighbourLists/mW4WV/src/cell_list.jl:48
┌ Warning: `a::StaticArray + b::Number` is deprecated, use `a .+ b` instead.
│ caller = position_to_cell_index at cell_list.jl:48 [inlined]
└ @ Core ~/.julia/packages/NeighbourLists/mW4WV/src/cell_list.jl:48
┌ Warning: `a::StaticArray - b::Number` is deprecated, use `a .- b` instead.
│ caller = _find_neighbours_!(::Int64, ::NeighbourLists.CellList{Float64,Int32}, ::StaticArrays.SArray{Tuple{3},Int32,1,3}, ::StaticArrays.SArray{Tuple{3,3},Float64,2,9}, ::CartesianIndices{3,Tuple{UnitRange{Int64},UnitRange{Int64},UnitRange{Int64}}}, ::Array{Int32,1}, ::Array{Int32,1}, ::Array{StaticArrays.SArray{Tuple{3},Int32,1,3},1}) at cell_list.jl:235
└ @ NeighbourLists ~/.julia/packages/NeighbourLists/mW4WV/src/cell_list.jl:235
┌ Warning: `a::StaticArray + b::Number` is deprecated, use `a .+ b` instead.
│ caller = position_to_cell_index at cell_list.jl:48 [inlined]
└ @ Core ~/.julia/packages/NeighbourLists/mW4WV/src/cell_list.jl:48
┌ Warning: `a::StaticArray - b::Number` is deprecated, use `a .- b` instead.
│ caller = _find_neighbours_!(::Int64, ::NeighbourLists.CellList{Float64,Int32}, ::StaticArrays.SArray{Tuple{3},Int32,1,3}, ::StaticArrays.SArray{Tuple{3,3},Float64,2,9}, ::CartesianIndices{3,Tuple{UnitRange{Int64},UnitRange{Int64},UnitRange{Int64}}}, ::Array{Int32,1}, ::Array{Int32,1}, ::Array{StaticArrays.SArray{Tuple{3},Int32,1,3},1}) at cell_list.jl:266
└ @ NeighbourLists ~/.julia/packages/NeighbourLists/mW4WV/src/cell_list.jl:266
---------|-----------
h | error
---------|-----------
1.0e-02 | 1.76e-01
Results with Julia v1.3.0
Testing was interrupted : test duration exceeded the time limit.
Last evaluation was ago and took 1 hour, 11 seconds.
Click here to download the log file.
Click here to show the log contents.
Resolving package versions...
Installed SortingAlgorithms ────── v0.3.1
Installed NeighbourLists ───────── v0.5.0
Installed Dierckx ──────────────── v0.4.1
Installed DiffResults ──────────── v0.0.4
Installed DataStructures ───────── v0.17.6
Installed StaticArrays ─────────── v0.12.1
Installed LineSearches ─────────── v7.0.1
Installed JuLIP ────────────────── v0.8.2
Installed BinaryProvider ───────── v0.5.8
Installed FunctionWrappers ─────── v1.0.0
Installed Compat ───────────────── v2.2.0
Installed NLSolversBase ────────── v7.5.0
Installed Parsers ──────────────── v0.3.10
Installed Missings ─────────────── v0.4.3
Installed MacroTools ───────────── v0.5.2
Installed Parameters ───────────── v0.12.0
Installed OrderedCollections ───── v1.1.0
Installed PositiveFactorizations ─ v0.2.3
Installed RecipesBase ──────────── v0.7.0
Installed CommonSubexpressions ─── v0.2.0
Installed JSON ─────────────────── v0.21.0
Installed DataAPI ──────────────── v1.1.0
Installed ForwardDiff ──────────── v0.10.7
Installed SpecialFunctions ─────── v0.9.0
Installed NaNMath ──────────────── v0.3.3
Installed Optim ────────────────── v0.19.5
Installed Calculus ─────────────── v0.5.1
Installed Requires ─────────────── v0.5.2
Installed DiffEqDiffTools ──────── v1.5.0
Installed AlgebraicMultigrid ───── v0.2.2
Installed ArrayInterface ───────── v2.0.0
Installed DiffRules ────────────── v0.1.0
Installed IterativeSolvers ─────── v0.8.1
Installed OpenSpecFun_jll ──────── v0.5.3+1
Installed Reexport ─────────────── v0.2.0
Installed FillArrays ───────────── v0.8.2
Installed StatsBase ────────────── v0.32.0
Updating `~/.julia/environments/v1.3/Project.toml`
[945c410c] + JuLIP v0.8.2
Updating `~/.julia/environments/v1.3/Manifest.toml`
[2169fc97] + AlgebraicMultigrid v0.2.2
[4fba245c] + ArrayInterface v2.0.0
[b99e7846] + BinaryProvider v0.5.8
[49dc2e85] + Calculus v0.5.1
[bbf7d656] + CommonSubexpressions v0.2.0
[34da2185] + Compat v2.2.0
[9a962f9c] + DataAPI v1.1.0
[864edb3b] + DataStructures v0.17.6
[39dd38d3] + Dierckx v0.4.1
[01453d9d] + DiffEqDiffTools v1.5.0
[163ba53b] + DiffResults v0.0.4
[b552c78f] + DiffRules v0.1.0
[1a297f60] + FillArrays v0.8.2
[f6369f11] + ForwardDiff v0.10.7
[069b7b12] + FunctionWrappers v1.0.0
[42fd0dbc] + IterativeSolvers v0.8.1
[682c06a0] + JSON v0.21.0
[945c410c] + JuLIP v0.8.2
[d3d80556] + LineSearches v7.0.1
[1914dd2f] + MacroTools v0.5.2
[e1d29d7a] + Missings v0.4.3
[d41bc354] + NLSolversBase v7.5.0
[77ba4419] + NaNMath v0.3.3
[2fcf5ba9] + NeighbourLists v0.5.0
[efe28fd5] + OpenSpecFun_jll v0.5.3+1
[429524aa] + Optim v0.19.5
[bac558e1] + OrderedCollections v1.1.0
[d96e819e] + Parameters v0.12.0
[69de0a69] + Parsers v0.3.10
[85a6dd25] + PositiveFactorizations v0.2.3
[3cdcf5f2] + RecipesBase v0.7.0
[189a3867] + Reexport v0.2.0
[ae029012] + Requires v0.5.2
[a2af1166] + SortingAlgorithms v0.3.1
[276daf66] + SpecialFunctions v0.9.0
[90137ffa] + StaticArrays v0.12.1
[2913bbd2] + StatsBase v0.32.0
[2a0f44e3] + Base64
[ade2ca70] + Dates
[8bb1440f] + DelimitedFiles
[8ba89e20] + Distributed
[b77e0a4c] + InteractiveUtils
[76f85450] + LibGit2
[8f399da3] + Libdl
[37e2e46d] + LinearAlgebra
[56ddb016] + Logging
[d6f4376e] + Markdown
[a63ad114] + Mmap
[44cfe95a] + Pkg
[de0858da] + Printf
[3fa0cd96] + REPL
[9a3f8284] + Random
[ea8e919c] + SHA
[9e88b42a] + Serialization
[1a1011a3] + SharedArrays
[6462fe0b] + Sockets
[2f01184e] + SparseArrays
[10745b16] + Statistics
[4607b0f0] + SuiteSparse
[8dfed614] + Test
[cf7118a7] + UUIDs
[4ec0a83e] + Unicode
Building Dierckx → `~/.julia/packages/Dierckx/9SY4A/deps/build.log`
Testing JuLIP
Resolving package versions...
Installed BenchmarkTools ─ v0.4.3
Status `/tmp/jl_Z6pjmq/Manifest.toml`
[2169fc97] AlgebraicMultigrid v0.2.2
[4fba245c] ArrayInterface v2.0.0
[6e4b80f9] BenchmarkTools v0.4.3
[b99e7846] BinaryProvider v0.5.8
[49dc2e85] Calculus v0.5.1
[bbf7d656] CommonSubexpressions v0.2.0
[34da2185] Compat v2.2.0
[9a962f9c] DataAPI v1.1.0
[864edb3b] DataStructures v0.17.6
[39dd38d3] Dierckx v0.4.1
[01453d9d] DiffEqDiffTools v1.5.0
[163ba53b] DiffResults v0.0.4
[b552c78f] DiffRules v0.1.0
[1a297f60] FillArrays v0.8.2
[f6369f11] ForwardDiff v0.10.7
[069b7b12] FunctionWrappers v1.0.0
[42fd0dbc] IterativeSolvers v0.8.1
[682c06a0] JSON v0.21.0
[945c410c] JuLIP v0.8.2
[d3d80556] LineSearches v7.0.1
[1914dd2f] MacroTools v0.5.2
[e1d29d7a] Missings v0.4.3
[d41bc354] NLSolversBase v7.5.0
[77ba4419] NaNMath v0.3.3
[2fcf5ba9] NeighbourLists v0.5.0
[efe28fd5] OpenSpecFun_jll v0.5.3+1
[429524aa] Optim v0.19.5
[bac558e1] OrderedCollections v1.1.0
[d96e819e] Parameters v0.12.0
[69de0a69] Parsers v0.3.10
[85a6dd25] PositiveFactorizations v0.2.3
[3cdcf5f2] RecipesBase v0.7.0
[189a3867] Reexport v0.2.0
[ae029012] Requires v0.5.2
[a2af1166] SortingAlgorithms v0.3.1
[276daf66] SpecialFunctions v0.9.0
[90137ffa] StaticArrays v0.12.1
[2913bbd2] StatsBase v0.32.0
[2a0f44e3] Base64 [`@stdlib/Base64`]
[ade2ca70] Dates [`@stdlib/Dates`]
[8bb1440f] DelimitedFiles [`@stdlib/DelimitedFiles`]
[8ba89e20] Distributed [`@stdlib/Distributed`]
[b77e0a4c] InteractiveUtils [`@stdlib/InteractiveUtils`]
[76f85450] LibGit2 [`@stdlib/LibGit2`]
[8f399da3] Libdl [`@stdlib/Libdl`]
[37e2e46d] LinearAlgebra [`@stdlib/LinearAlgebra`]
[56ddb016] Logging [`@stdlib/Logging`]
[d6f4376e] Markdown [`@stdlib/Markdown`]
[a63ad114] Mmap [`@stdlib/Mmap`]
[44cfe95a] Pkg [`@stdlib/Pkg`]
[de0858da] Printf [`@stdlib/Printf`]
[3fa0cd96] REPL [`@stdlib/REPL`]
[9a3f8284] Random [`@stdlib/Random`]
[ea8e919c] SHA [`@stdlib/SHA`]
[9e88b42a] Serialization [`@stdlib/Serialization`]
[1a1011a3] SharedArrays [`@stdlib/SharedArrays`]
[6462fe0b] Sockets [`@stdlib/Sockets`]
[2f01184e] SparseArrays [`@stdlib/SparseArrays`]
[10745b16] Statistics [`@stdlib/Statistics`]
[4607b0f0] SuiteSparse [`@stdlib/SuiteSparse`]
[8dfed614] Test [`@stdlib/Test`]
[cf7118a7] UUIDs [`@stdlib/UUIDs`]
[4ec0a83e] Unicode [`@stdlib/Unicode`]
≡≡≡≡≡≡≡≡≡≡≡≡≡≡≡≡≡≡≡≡≡
JuLIP Tests
≡≡≡≡≡≡≡≡≡≡≡≡≡≡≡≡≡≡≡≡≡
[ Info: preparing the tests...
[ Info: Loading some interatomic potentials . .
. . done.
[ Info: on CI : don't run solver tests
=======================
Testset Miscellaneous
=======================
==========
Test Aux
==========
--------------------------
matrix <-> vec conversions
--------------------------
Test Passed
Test Passed
Test Passed
Test Passed
Test Passed
===============
Testset Atoms
===============
check that `bulk` evaluates ok...
Test Passed
... and that we can repeat it.
Test Passed
check deepcopy and == ...
Test Passed
Check setindex! and getindex ...
Test Passed
┌ Warning: `a::StaticArray + b::Number` is deprecated, use `a .+ b` instead.
│ caller = top-level scope at test_atoms.jl:23
└ @ Core ~/.julia/packages/JuLIP/WO5HB/test/test_atoms.jl:23
Test Passed
Test Passed
set_positions ...
Test Passed
Test Passed
Test Passed
Test Passed
Test Passed
Test Passed
Test Passed
test set_positions!
Test Passed
Test Passed
test set_momenta!
Test Passed
test set_dofs!, etc
Test Passed
Test Passed
Test Passed
Test Passed
===============
Testset Build
===============
=================
Testset File IO
=================
Testing single `Atoms` <-> `Dict`
Test Passed
Test Passed
Test JSON fio
Test Passed
Test array of Atoms <-> Dict
Test Passed
Test JSON fio for array
Test Passed
============================
Testset Analytic Potential
============================
generate hand-coded morse potential
generate AD morse potential
typeof(morse1) = AnalyticFunction{var"#5#8"{Float64,Float64,Float64},var"#6#9"{Float64,Float64,Float64},var"#7#10"{Float64,Float64,Float64}}
Check consistency of hand-coded and analytic Morse potentials...
Test Passed
Test Passed
------------------------------------------
Performance tests: @analytic vs hand-coded
------------------------------------------
Evaluations of @analytic Potential
72.639 μs (1000 allocations: 109.38 KiB)
Evaluations hand-coded Potential
113.783 μs (2000 allocations: 125.00 KiB)
Grad of @analytic Potential
144.433 μs (2000 allocations: 218.75 KiB)
Grad of hand-coded Potential
121.770 μs (3000 allocations: 250.00 KiB)
====================
Testset Potentials
====================
--------------------------------------
Testing pair potential implementations
--------------------------------------
AnalyticFunction{JuLIP.Potentials.var"#16#19"{Float64,Float64},JuLIP.Potentials.var"#17#20"{Float64,Float64},JuLIP.Potentials.var"#18#21"{Float64,Float64}}(JuLIP.Potentials.var"#16#19"{Float64,Float64}(1.0, 1.0), JuLIP.Potentials.var"#17#20"{Float64,Float64}(1.0, 1.0), JuLIP.Potentials.var"#18#21"{Float64,Float64}(1.0, 1.0))
---------|-----------
h | error
---------|-----------
1.0e-02 | 6.21e+01
1.0e-03 | 6.55e+00
1.0e-04 | 6.59e-01
1.0e-05 | 6.59e-02
1.0e-06 | 6.59e-03
1.0e-07 | 6.59e-04
1.0e-08 | 5.85e-05
1.0e-09 | 3.10e-05
1.0e-10 | 4.79e-04
1.0e-11 | 4.01e-03
---------|-----------
passed
Test Passed
AnalyticFunction{JuLIP.Potentials.var"#25#28"{Float64,Float64,Float64},JuLIP.Potentials.var"#26#29"{Float64,Float64,Float64},JuLIP.Potentials.var"#27#30"{Float64,Float64,Float64}}(JuLIP.Potentials.var"#25#28"{Float64,Float64,Float64}(4.0, 1.0, 1.0), JuLIP.Potentials.var"#26#29"{Float64,Float64,Float64}(4.0, 1.0, 1.0), JuLIP.Potentials.var"#27#30"{Float64,Float64,Float64}(4.0, 1.0, 1.0))
---------|-----------
h | error
---------|-----------
1.0e-02 | 1.19e+00
1.0e-03 | 1.23e-01
1.0e-04 | 1.23e-02
1.0e-05 | 1.23e-03
1.0e-06 | 1.23e-04
1.0e-07 | 1.23e-05
1.0e-08 | 1.13e-06
1.0e-09 | 3.33e-07
1.0e-10 | 4.64e-06
1.0e-11 | 3.61e-05
---------|-----------
passed
Test Passed
JuLIP.Potentials.ProdPot{SWCutoff{Float64},AnalyticFunction{JuLIP.Potentials.var"#16#19"{Float64,Float64},JuLIP.Potentials.var"#17#20"{Float64,Float64},JuLIP.Potentials.var"#18#21"{Float64,Float64}}}(SWCutoff{Float64}(1.0, 3.0, 1.0), AnalyticFunction{JuLIP.Potentials.var"#16#19"{Float64,Float64},JuLIP.Potentials.var"#17#20"{Float64,Float64},JuLIP.Potentials.var"#18#21"{Float64,Float64}}(JuLIP.Potentials.var"#16#19"{Float64,Float64}(1.0, 1.0), JuLIP.Potentials.var"#17#20"{Float64,Float64}(1.0, 1.0), JuLIP.Potentials.var"#18#21"{Float64,Float64}(1.0, 1.0)))
---------|-----------
h | error
---------|-----------
1.0e-02 | 7.17e-04
1.0e-03 | 8.77e-05
1.0e-04 | 8.96e-06
1.0e-05 | 8.98e-07
1.0e-06 | 8.98e-08
1.0e-07 | 8.98e-09
1.0e-08 | 8.85e-10
1.0e-09 | 1.34e-10
1.0e-10 | 4.96e-10
1.0e-11 | 6.56e-10
---------|-----------
passed
Test Passed
JuLIP.Potentials.ProdPot{SplineCutoff,AnalyticFunction{JuLIP.Potentials.var"#16#19"{Float64,Float64},JuLIP.Potentials.var"#17#20"{Float64,Float64},JuLIP.Potentials.var"#18#21"{Float64,Float64}}}(SplineCutoff(2.0, 3.0), AnalyticFunction{JuLIP.Potentials.var"#16#19"{Float64,Float64},JuLIP.Potentials.var"#17#20"{Float64,Float64},JuLIP.Potentials.var"#18#21"{Float64,Float64}}(JuLIP.Potentials.var"#16#19"{Float64,Float64}(1.0, 1.0), JuLIP.Potentials.var"#17#20"{Float64,Float64}(1.0, 1.0), JuLIP.Potentials.var"#18#21"{Float64,Float64}(1.0, 1.0)))
---------|-----------
h | error
---------|-----------
1.0e-02 | 6.21e+01
1.0e-03 | 6.55e+00
1.0e-04 | 6.59e-01
1.0e-05 | 6.59e-02
1.0e-06 | 6.59e-03
1.0e-07 | 6.59e-04
1.0e-08 | 5.85e-05
1.0e-09 | 3.10e-05
1.0e-10 | 4.79e-04
1.0e-11 | 4.01e-03
---------|-----------
passed
Test Passed
Shift{2,AnalyticFunction{JuLIP.Potentials.var"#16#19"{Float64,Float64},JuLIP.Potentials.var"#17#20"{Float64,Float64},JuLIP.Potentials.var"#18#21"{Float64,Float64}},Float64}(Val{2}(), AnalyticFunction{JuLIP.Potentials.var"#16#19"{Float64,Float64},JuLIP.Potentials.var"#17#20"{Float64,Float64},JuLIP.Potentials.var"#18#21"{Float64,Float64}}(JuLIP.Potentials.var"#16#19"{Float64,Float64}(1.0, 1.0), JuLIP.Potentials.var"#17#20"{Float64,Float64}(1.0, 1.0), JuLIP.Potentials.var"#18#21"{Float64,Float64}(1.0, 1.0)), 2.0, -0.0615234375, 0.181640625, -0.6181640625)
---------|-----------
h | error
---------|-----------
1.0e-02 | 6.21e+01
1.0e-03 | 6.55e+00
1.0e-04 | 6.59e-01
1.0e-05 | 6.59e-02
1.0e-06 | 6.59e-03
1.0e-07 | 6.59e-04
1.0e-08 | 5.84e-05
1.0e-09 | 2.90e-05
1.0e-10 | 4.62e-04
1.0e-11 | 4.01e-03
---------|-----------
passed
Test Passed
ZBLPotential{AnalyticFunction{JuLIP.Potentials.var"#33#36"{Float64,Float64,Float64,Float64,Float64,Float64,Float64,Float64},JuLIP.Potentials.var"#34#37"{Float64,Float64,Float64,Float64,Float64,Float64,Float64,Float64},JuLIP.Potentials.var"#35#38"{Float64,Float64,Float64,Float64,Float64,Float64,Float64,Float64}}}(5, 8, AnalyticFunction{JuLIP.Potentials.var"#33#36"{Float64,Float64,Float64,Float64,Float64,Float64,Float64,Float64},JuLIP.Potentials.var"#34#37"{Float64,Float64,Float64,Float64,Float64,Float64,Float64,Float64},JuLIP.Potentials.var"#35#38"{Float64,Float64,Float64,Float64,Float64,Float64,Float64,Float64}}(JuLIP.Potentials.var"#33#36"{Float64,Float64,Float64,Float64,Float64,Float64,Float64,Float64}(575.985814118274, 0.1818, 0.5099, 0.2802, 0.02817, 20.9148983873684, 6.158783984505388, 1.3176385984042092), JuLIP.Potentials.var"#34#37"{Float64,Float64,Float64,Float64,Float64,Float64,Float64,Float64}(575.985814118274, 0.1818, 0.5099, 0.2802, 0.02817, 20.9148983873684, 6.158783984505388, 1.3176385984042092), JuLIP.Potentials.var"#35#38"{Float64,Float64,Float64,Float64,Float64,Float64,Float64,Float64}(575.985814118274, 0.1818, 0.5099, 0.2802, 0.02817, 20.9148983873684, 6.158783984505388, 1.3176385984042092)))
---------|-----------
h | error
---------|-----------
1.0e-02 | 3.84e+00
1.0e-03 | 3.90e-01
1.0e-04 | 3.91e-02
1.0e-05 | 3.91e-03
1.0e-06 | 3.91e-04
1.0e-07 | 3.93e-05
1.0e-08 | 3.66e-06
1.0e-09 | 2.23e-05
1.0e-10 | 1.46e-04
1.0e-11 | 1.32e-03
---------|-----------
passed
Test Passed
-----------------------
testing shift-cutoffs:
-----------------------
HS
Test Passed
Test Passed
V0
Test Passed
Test Passed
V1
Test Passed
Test Passed
V2
Test Passed
Test Passed
----------------------------------
Testing calculator implementations
----------------------------------
--------------------------------
JuLIP.Potentials.ProdPot{SplineCutoff,AnalyticFunction{JuLIP.Potentials.var"#16#19"{Float64,Float64},JuLIP.Potentials.var"#17#20"{Float64,Float64},JuLIP.Potentials.var"#18#21"{Float64,Float64}}}
length(at_) = 72
┌ Warning: `a::StaticArray + b::Number` is deprecated, use `a .+ b` instead.
│ caller = position_to_cell_index(::StaticArrays.SArray{Tuple{3,3},Float64,2,9}, ::StaticArrays.SArray{Tuple{3},Float64,1,3}, ::StaticArrays.SArray{Tuple{3},Int32,1,3}) at cell_list.jl:48
└ @ NeighbourLists ~/.julia/packages/NeighbourLists/mW4WV/src/cell_list.jl:48
┌ Warning: `a::StaticArray + b::Number` is deprecated, use `a .+ b` instead.
│ caller = position_to_cell_index at cell_list.jl:48 [inlined]
└ @ Core ~/.julia/packages/NeighbourLists/mW4WV/src/cell_list.jl:48
┌ Warning: `a::StaticArray - b::Number` is deprecated, use `a .- b` instead.
│ caller = _find_neighbours_!(::Int64, ::NeighbourLists.CellList{Float64,Int32}, ::StaticArrays.SArray{Tuple{3},Int32,1,3}, ::StaticArrays.SArray{Tuple{3,3},Float64,2,9}, ::CartesianIndices{3,Tuple{UnitRange{Int64},UnitRange{Int64},UnitRange{Int64}}}, ::Array{Int32,1}, ::Array{Int32,1}, ::Array{StaticArrays.SArray{Tuple{3},Int32,1,3},1}) at cell_list.jl:235
└ @ NeighbourLists ~/.julia/packages/NeighbourLists/mW4WV/src/cell_list.jl:235
┌ Warning: `a::StaticArray + b::Number` is deprecated, use `a .+ b` instead.
│ caller = position_to_cell_index at cell_list.jl:48 [inlined]
└ @ Core ~/.julia/packages/NeighbourLists/mW4WV/src/cell_list.jl:48
┌ Warning: `a::StaticArray - b::Number` is deprecated, use `a .- b` instead.
│ caller = _find_neighbours_!(::Int64, ::NeighbourLists.CellList{Float64,Int32}, ::StaticArrays.SArray{Tuple{3},Int32,1,3}, ::StaticArrays.SArray{Tuple{3,3},Float64,2,9}, ::CartesianIndices{3,Tuple{UnitRange{Int64},UnitRange{Int64},UnitRange{Int64}}}, ::Array{Int32,1}, ::Array{Int32,1}, ::Array{StaticArrays.SArray{Tuple{3},Int32,1,3},1}) at cell_list.jl:266
└ @ NeighbourLists ~/.julia/packages/NeighbourLists/mW4WV/src/cell_list.jl:266
---------|-----------
h | error
---------|-----------
1.0e-02 | 1.76e-01
Results with Julia v1.3.1-pre-7704df0a5a
Testing was interrupted : test duration exceeded the time limit.
Last evaluation was ago and took 1 hour, 9 seconds.
Click here to download the log file.
Click here to show the log contents.
Resolving package versions...
Installed OpenSpecFun_jll ──────── v0.5.3+1
Installed FunctionWrappers ─────── v1.0.0
Installed NaNMath ──────────────── v0.3.3
Installed AlgebraicMultigrid ───── v0.2.2
Installed DataStructures ───────── v0.17.6
Installed JuLIP ────────────────── v0.8.2
Installed IterativeSolvers ─────── v0.8.1
Installed Optim ────────────────── v0.19.5
Installed Compat ───────────────── v2.2.0
Installed MacroTools ───────────── v0.5.2
Installed StaticArrays ─────────── v0.12.1
Installed SpecialFunctions ─────── v0.9.0
Installed DiffResults ──────────── v0.0.4
Installed ForwardDiff ──────────── v0.10.7
Installed FillArrays ───────────── v0.8.2
Installed StatsBase ────────────── v0.32.0
Installed Missings ─────────────── v0.4.3
Installed CommonSubexpressions ─── v0.2.0
Installed Calculus ─────────────── v0.5.1
Installed LineSearches ─────────── v7.0.1
Installed NeighbourLists ───────── v0.5.0
Installed Dierckx ──────────────── v0.4.1
Installed Parameters ───────────── v0.12.0
Installed BinaryProvider ───────── v0.5.8
Installed DiffRules ────────────── v0.1.0
Installed PositiveFactorizations ─ v0.2.3
Installed NLSolversBase ────────── v7.5.0
Installed ArrayInterface ───────── v2.0.0
Installed Reexport ─────────────── v0.2.0
Installed RecipesBase ──────────── v0.7.0
Installed Requires ─────────────── v0.5.2
Installed DataAPI ──────────────── v1.1.0
Installed JSON ─────────────────── v0.21.0
Installed Parsers ──────────────── v0.3.10
Installed DiffEqDiffTools ──────── v1.5.0
Installed OrderedCollections ───── v1.1.0
Installed SortingAlgorithms ────── v0.3.1
Updating `~/.julia/environments/v1.3/Project.toml`
[945c410c] + JuLIP v0.8.2
Updating `~/.julia/environments/v1.3/Manifest.toml`
[2169fc97] + AlgebraicMultigrid v0.2.2
[4fba245c] + ArrayInterface v2.0.0
[b99e7846] + BinaryProvider v0.5.8
[49dc2e85] + Calculus v0.5.1
[bbf7d656] + CommonSubexpressions v0.2.0
[34da2185] + Compat v2.2.0
[9a962f9c] + DataAPI v1.1.0
[864edb3b] + DataStructures v0.17.6
[39dd38d3] + Dierckx v0.4.1
[01453d9d] + DiffEqDiffTools v1.5.0
[163ba53b] + DiffResults v0.0.4
[b552c78f] + DiffRules v0.1.0
[1a297f60] + FillArrays v0.8.2
[f6369f11] + ForwardDiff v0.10.7
[069b7b12] + FunctionWrappers v1.0.0
[42fd0dbc] + IterativeSolvers v0.8.1
[682c06a0] + JSON v0.21.0
[945c410c] + JuLIP v0.8.2
[d3d80556] + LineSearches v7.0.1
[1914dd2f] + MacroTools v0.5.2
[e1d29d7a] + Missings v0.4.3
[d41bc354] + NLSolversBase v7.5.0
[77ba4419] + NaNMath v0.3.3
[2fcf5ba9] + NeighbourLists v0.5.0
[efe28fd5] + OpenSpecFun_jll v0.5.3+1
[429524aa] + Optim v0.19.5
[bac558e1] + OrderedCollections v1.1.0
[d96e819e] + Parameters v0.12.0
[69de0a69] + Parsers v0.3.10
[85a6dd25] + PositiveFactorizations v0.2.3
[3cdcf5f2] + RecipesBase v0.7.0
[189a3867] + Reexport v0.2.0
[ae029012] + Requires v0.5.2
[a2af1166] + SortingAlgorithms v0.3.1
[276daf66] + SpecialFunctions v0.9.0
[90137ffa] + StaticArrays v0.12.1
[2913bbd2] + StatsBase v0.32.0
[2a0f44e3] + Base64
[ade2ca70] + Dates
[8bb1440f] + DelimitedFiles
[8ba89e20] + Distributed
[b77e0a4c] + InteractiveUtils
[76f85450] + LibGit2
[8f399da3] + Libdl
[37e2e46d] + LinearAlgebra
[56ddb016] + Logging
[d6f4376e] + Markdown
[a63ad114] + Mmap
[44cfe95a] + Pkg
[de0858da] + Printf
[3fa0cd96] + REPL
[9a3f8284] + Random
[ea8e919c] + SHA
[9e88b42a] + Serialization
[1a1011a3] + SharedArrays
[6462fe0b] + Sockets
[2f01184e] + SparseArrays
[10745b16] + Statistics
[4607b0f0] + SuiteSparse
[8dfed614] + Test
[cf7118a7] + UUIDs
[4ec0a83e] + Unicode
Building Dierckx → `~/.julia/packages/Dierckx/9SY4A/deps/build.log`
Testing JuLIP
Resolving package versions...
Installed BenchmarkTools ─ v0.4.3
Status `/tmp/jl_H38fbP/Manifest.toml`
[2169fc97] AlgebraicMultigrid v0.2.2
[4fba245c] ArrayInterface v2.0.0
[6e4b80f9] BenchmarkTools v0.4.3
[b99e7846] BinaryProvider v0.5.8
[49dc2e85] Calculus v0.5.1
[bbf7d656] CommonSubexpressions v0.2.0
[34da2185] Compat v2.2.0
[9a962f9c] DataAPI v1.1.0
[864edb3b] DataStructures v0.17.6
[39dd38d3] Dierckx v0.4.1
[01453d9d] DiffEqDiffTools v1.5.0
[163ba53b] DiffResults v0.0.4
[b552c78f] DiffRules v0.1.0
[1a297f60] FillArrays v0.8.2
[f6369f11] ForwardDiff v0.10.7
[069b7b12] FunctionWrappers v1.0.0
[42fd0dbc] IterativeSolvers v0.8.1
[682c06a0] JSON v0.21.0
[945c410c] JuLIP v0.8.2
[d3d80556] LineSearches v7.0.1
[1914dd2f] MacroTools v0.5.2
[e1d29d7a] Missings v0.4.3
[d41bc354] NLSolversBase v7.5.0
[77ba4419] NaNMath v0.3.3
[2fcf5ba9] NeighbourLists v0.5.0
[efe28fd5] OpenSpecFun_jll v0.5.3+1
[429524aa] Optim v0.19.5
[bac558e1] OrderedCollections v1.1.0
[d96e819e] Parameters v0.12.0
[69de0a69] Parsers v0.3.10
[85a6dd25] PositiveFactorizations v0.2.3
[3cdcf5f2] RecipesBase v0.7.0
[189a3867] Reexport v0.2.0
[ae029012] Requires v0.5.2
[a2af1166] SortingAlgorithms v0.3.1
[276daf66] SpecialFunctions v0.9.0
[90137ffa] StaticArrays v0.12.1
[2913bbd2] StatsBase v0.32.0
[2a0f44e3] Base64 [`@stdlib/Base64`]
[ade2ca70] Dates [`@stdlib/Dates`]
[8bb1440f] DelimitedFiles [`@stdlib/DelimitedFiles`]
[8ba89e20] Distributed [`@stdlib/Distributed`]
[b77e0a4c] InteractiveUtils [`@stdlib/InteractiveUtils`]
[76f85450] LibGit2 [`@stdlib/LibGit2`]
[8f399da3] Libdl [`@stdlib/Libdl`]
[37e2e46d] LinearAlgebra [`@stdlib/LinearAlgebra`]
[56ddb016] Logging [`@stdlib/Logging`]
[d6f4376e] Markdown [`@stdlib/Markdown`]
[a63ad114] Mmap [`@stdlib/Mmap`]
[44cfe95a] Pkg [`@stdlib/Pkg`]
[de0858da] Printf [`@stdlib/Printf`]
[3fa0cd96] REPL [`@stdlib/REPL`]
[9a3f8284] Random [`@stdlib/Random`]
[ea8e919c] SHA [`@stdlib/SHA`]
[9e88b42a] Serialization [`@stdlib/Serialization`]
[1a1011a3] SharedArrays [`@stdlib/SharedArrays`]
[6462fe0b] Sockets [`@stdlib/Sockets`]
[2f01184e] SparseArrays [`@stdlib/SparseArrays`]
[10745b16] Statistics [`@stdlib/Statistics`]
[4607b0f0] SuiteSparse [`@stdlib/SuiteSparse`]
[8dfed614] Test [`@stdlib/Test`]
[cf7118a7] UUIDs [`@stdlib/UUIDs`]
[4ec0a83e] Unicode [`@stdlib/Unicode`]
≡≡≡≡≡≡≡≡≡≡≡≡≡≡≡≡≡≡≡≡≡
JuLIP Tests
≡≡≡≡≡≡≡≡≡≡≡≡≡≡≡≡≡≡≡≡≡
[ Info: preparing the tests...
[ Info: Loading some interatomic potentials . .
. . done.
[ Info: on CI : don't run solver tests
=======================
Testset Miscellaneous
=======================
==========
Test Aux
==========
--------------------------
matrix <-> vec conversions
--------------------------
Test Passed
Test Passed
Test Passed
Test Passed
Test Passed
===============
Testset Atoms
===============
check that `bulk` evaluates ok...
Test Passed
... and that we can repeat it.
Test Passed
check deepcopy and == ...
Test Passed
Check setindex! and getindex ...
Test Passed
┌ Warning: `a::StaticArray + b::Number` is deprecated, use `a .+ b` instead.
│ caller = top-level scope at test_atoms.jl:23
└ @ Core ~/.julia/packages/JuLIP/WO5HB/test/test_atoms.jl:23
Test Passed
Test Passed
set_positions ...
Test Passed
Test Passed
Test Passed
Test Passed
Test Passed
Test Passed
Test Passed
test set_positions!
Test Passed
Test Passed
test set_momenta!
Test Passed
test set_dofs!, etc
Test Passed
Test Passed
Test Passed
Test Passed
===============
Testset Build
===============
=================
Testset File IO
=================
Testing single `Atoms` <-> `Dict`
Test Passed
Test Passed
Test JSON fio
Test Passed
Test array of Atoms <-> Dict
Test Passed
Test JSON fio for array
Test Passed
============================
Testset Analytic Potential
============================
generate hand-coded morse potential
generate AD morse potential
typeof(morse1) = AnalyticFunction{var"#5#8"{Float64,Float64,Float64},var"#6#9"{Float64,Float64,Float64},var"#7#10"{Float64,Float64,Float64}}
Check consistency of hand-coded and analytic Morse potentials...
Test Passed
Test Passed
------------------------------------------
Performance tests: @analytic vs hand-coded
------------------------------------------
Evaluations of @analytic Potential
96.478 μs (1000 allocations: 109.38 KiB)
Evaluations hand-coded Potential
83.021 μs (2000 allocations: 125.00 KiB)
Grad of @analytic Potential
114.387 μs (2000 allocations: 218.75 KiB)
Grad of hand-coded Potential
133.891 μs (3000 allocations: 250.00 KiB)
====================
Testset Potentials
====================
--------------------------------------
Testing pair potential implementations
--------------------------------------
AnalyticFunction{JuLIP.Potentials.var"#16#19"{Float64,Float64},JuLIP.Potentials.var"#17#20"{Float64,Float64},JuLIP.Potentials.var"#18#21"{Float64,Float64}}(JuLIP.Potentials.var"#16#19"{Float64,Float64}(1.0, 1.0), JuLIP.Potentials.var"#17#20"{Float64,Float64}(1.0, 1.0), JuLIP.Potentials.var"#18#21"{Float64,Float64}(1.0, 1.0))
---------|-----------
h | error
---------|-----------
1.0e-02 | 6.21e+01
1.0e-03 | 6.55e+00
1.0e-04 | 6.59e-01
1.0e-05 | 6.59e-02
1.0e-06 | 6.59e-03
1.0e-07 | 6.59e-04
1.0e-08 | 5.85e-05
1.0e-09 | 3.10e-05
1.0e-10 | 4.79e-04
1.0e-11 | 4.01e-03
---------|-----------
passed
Test Passed
AnalyticFunction{JuLIP.Potentials.var"#25#28"{Float64,Float64,Float64},JuLIP.Potentials.var"#26#29"{Float64,Float64,Float64},JuLIP.Potentials.var"#27#30"{Float64,Float64,Float64}}(JuLIP.Potentials.var"#25#28"{Float64,Float64,Float64}(4.0, 1.0, 1.0), JuLIP.Potentials.var"#26#29"{Float64,Float64,Float64}(4.0, 1.0, 1.0), JuLIP.Potentials.var"#27#30"{Float64,Float64,Float64}(4.0, 1.0, 1.0))
---------|-----------
h | error
---------|-----------
1.0e-02 | 1.19e+00
1.0e-03 | 1.23e-01
1.0e-04 | 1.23e-02
1.0e-05 | 1.23e-03
1.0e-06 | 1.23e-04
1.0e-07 | 1.23e-05
1.0e-08 | 1.13e-06
1.0e-09 | 3.33e-07
1.0e-10 | 4.64e-06
1.0e-11 | 3.61e-05
---------|-----------
passed
Test Passed
JuLIP.Potentials.ProdPot{SWCutoff{Float64},AnalyticFunction{JuLIP.Potentials.var"#16#19"{Float64,Float64},JuLIP.Potentials.var"#17#20"{Float64,Float64},JuLIP.Potentials.var"#18#21"{Float64,Float64}}}(SWCutoff{Float64}(1.0, 3.0, 1.0), AnalyticFunction{JuLIP.Potentials.var"#16#19"{Float64,Float64},JuLIP.Potentials.var"#17#20"{Float64,Float64},JuLIP.Potentials.var"#18#21"{Float64,Float64}}(JuLIP.Potentials.var"#16#19"{Float64,Float64}(1.0, 1.0), JuLIP.Potentials.var"#17#20"{Float64,Float64}(1.0, 1.0), JuLIP.Potentials.var"#18#21"{Float64,Float64}(1.0, 1.0)))
---------|-----------
h | error
---------|-----------
1.0e-02 | 7.17e-04
1.0e-03 | 8.77e-05
1.0e-04 | 8.96e-06
1.0e-05 | 8.98e-07
1.0e-06 | 8.98e-08
1.0e-07 | 8.98e-09
1.0e-08 | 8.85e-10
1.0e-09 | 1.34e-10
1.0e-10 | 4.96e-10
1.0e-11 | 6.56e-10
---------|-----------
passed
Test Passed
JuLIP.Potentials.ProdPot{SplineCutoff,AnalyticFunction{JuLIP.Potentials.var"#16#19"{Float64,Float64},JuLIP.Potentials.var"#17#20"{Float64,Float64},JuLIP.Potentials.var"#18#21"{Float64,Float64}}}(SplineCutoff(2.0, 3.0), AnalyticFunction{JuLIP.Potentials.var"#16#19"{Float64,Float64},JuLIP.Potentials.var"#17#20"{Float64,Float64},JuLIP.Potentials.var"#18#21"{Float64,Float64}}(JuLIP.Potentials.var"#16#19"{Float64,Float64}(1.0, 1.0), JuLIP.Potentials.var"#17#20"{Float64,Float64}(1.0, 1.0), JuLIP.Potentials.var"#18#21"{Float64,Float64}(1.0, 1.0)))
---------|-----------
h | error
---------|-----------
1.0e-02 | 6.21e+01
1.0e-03 | 6.55e+00
1.0e-04 | 6.59e-01
1.0e-05 | 6.59e-02
1.0e-06 | 6.59e-03
1.0e-07 | 6.59e-04
1.0e-08 | 5.85e-05
1.0e-09 | 3.10e-05
1.0e-10 | 4.79e-04
1.0e-11 | 4.01e-03
---------|-----------
passed
Test Passed
Shift{2,AnalyticFunction{JuLIP.Potentials.var"#16#19"{Float64,Float64},JuLIP.Potentials.var"#17#20"{Float64,Float64},JuLIP.Potentials.var"#18#21"{Float64,Float64}},Float64}(Val{2}(), AnalyticFunction{JuLIP.Potentials.var"#16#19"{Float64,Float64},JuLIP.Potentials.var"#17#20"{Float64,Float64},JuLIP.Potentials.var"#18#21"{Float64,Float64}}(JuLIP.Potentials.var"#16#19"{Float64,Float64}(1.0, 1.0), JuLIP.Potentials.var"#17#20"{Float64,Float64}(1.0, 1.0), JuLIP.Potentials.var"#18#21"{Float64,Float64}(1.0, 1.0)), 2.0, -0.0615234375, 0.181640625, -0.6181640625)
---------|-----------
h | error
---------|-----------
1.0e-02 | 6.21e+01
1.0e-03 | 6.55e+00
1.0e-04 | 6.59e-01
1.0e-05 | 6.59e-02
1.0e-06 | 6.59e-03
1.0e-07 | 6.59e-04
1.0e-08 | 5.84e-05
1.0e-09 | 2.90e-05
1.0e-10 | 4.62e-04
1.0e-11 | 4.01e-03
---------|-----------
passed
Test Passed
ZBLPotential{AnalyticFunction{JuLIP.Potentials.var"#33#36"{Float64,Float64,Float64,Float64,Float64,Float64,Float64,Float64},JuLIP.Potentials.var"#34#37"{Float64,Float64,Float64,Float64,Float64,Float64,Float64,Float64},JuLIP.Potentials.var"#35#38"{Float64,Float64,Float64,Float64,Float64,Float64,Float64,Float64}}}(5, 8, AnalyticFunction{JuLIP.Potentials.var"#33#36"{Float64,Float64,Float64,Float64,Float64,Float64,Float64,Float64},JuLIP.Potentials.var"#34#37"{Float64,Float64,Float64,Float64,Float64,Float64,Float64,Float64},JuLIP.Potentials.var"#35#38"{Float64,Float64,Float64,Float64,Float64,Float64,Float64,Float64}}(JuLIP.Potentials.var"#33#36"{Float64,Float64,Float64,Float64,Float64,Float64,Float64,Float64}(575.985814118274, 0.1818, 0.5099, 0.2802, 0.02817, 20.9148983873684, 6.158783984505388, 1.3176385984042092), JuLIP.Potentials.var"#34#37"{Float64,Float64,Float64,Float64,Float64,Float64,Float64,Float64}(575.985814118274, 0.1818, 0.5099, 0.2802, 0.02817, 20.9148983873684, 6.158783984505388, 1.3176385984042092), JuLIP.Potentials.var"#35#38"{Float64,Float64,Float64,Float64,Float64,Float64,Float64,Float64}(575.985814118274, 0.1818, 0.5099, 0.2802, 0.02817, 20.9148983873684, 6.158783984505388, 1.3176385984042092)))
---------|-----------
h | error
---------|-----------
1.0e-02 | 3.84e+00
1.0e-03 | 3.90e-01
1.0e-04 | 3.91e-02
1.0e-05 | 3.91e-03
1.0e-06 | 3.91e-04
1.0e-07 | 3.93e-05
1.0e-08 | 3.66e-06
1.0e-09 | 2.23e-05
1.0e-10 | 1.46e-04
1.0e-11 | 1.32e-03
---------|-----------
passed
Test Passed
-----------------------
testing shift-cutoffs:
-----------------------
HS
Test Passed
Test Passed
V0
Test Passed
Test Passed
V1
Test Passed
Test Passed
V2
Test Passed
Test Passed
----------------------------------
Testing calculator implementations
----------------------------------
--------------------------------
JuLIP.Potentials.ProdPot{SplineCutoff,AnalyticFunction{JuLIP.Potentials.var"#16#19"{Float64,Float64},JuLIP.Potentials.var"#17#20"{Float64,Float64},JuLIP.Potentials.var"#18#21"{Float64,Float64}}}
length(at_) = 72
┌ Warning: `a::StaticArray + b::Number` is deprecated, use `a .+ b` instead.
│ caller = position_to_cell_index(::StaticArrays.SArray{Tuple{3,3},Float64,2,9}, ::StaticArrays.SArray{Tuple{3},Float64,1,3}, ::StaticArrays.SArray{Tuple{3},Int32,1,3}) at cell_list.jl:48
└ @ NeighbourLists ~/.julia/packages/NeighbourLists/mW4WV/src/cell_list.jl:48
┌ Warning: `a::StaticArray + b::Number` is deprecated, use `a .+ b` instead.
│ caller = position_to_cell_index at cell_list.jl:48 [inlined]
└ @ Core ~/.julia/packages/NeighbourLists/mW4WV/src/cell_list.jl:48
┌ Warning: `a::StaticArray - b::Number` is deprecated, use `a .- b` instead.
│ caller = _find_neighbours_!(::Int64, ::NeighbourLists.CellList{Float64,Int32}, ::StaticArrays.SArray{Tuple{3},Int32,1,3}, ::StaticArrays.SArray{Tuple{3,3},Float64,2,9}, ::CartesianIndices{3,Tuple{UnitRange{Int64},UnitRange{Int64},UnitRange{Int64}}}, ::Array{Int32,1}, ::Array{Int32,1}, ::Array{StaticArrays.SArray{Tuple{3},Int32,1,3},1}) at cell_list.jl:235
└ @ NeighbourLists ~/.julia/packages/NeighbourLists/mW4WV/src/cell_list.jl:235
┌ Warning: `a::StaticArray + b::Number` is deprecated, use `a .+ b` instead.
│ caller = position_to_cell_index at cell_list.jl:48 [inlined]
└ @ Core ~/.julia/packages/NeighbourLists/mW4WV/src/cell_list.jl:48
┌ Warning: `a::StaticArray - b::Number` is deprecated, use `a .- b` instead.
│ caller = _find_neighbours_!(::Int64, ::NeighbourLists.CellList{Float64,Int32}, ::StaticArrays.SArray{Tuple{3},Int32,1,3}, ::StaticArrays.SArray{Tuple{3,3},Float64,2,9}, ::CartesianIndices{3,Tuple{UnitRange{Int64},UnitRange{Int64},UnitRange{Int64}}}, ::Array{Int32,1}, ::Array{Int32,1}, ::Array{StaticArrays.SArray{Tuple{3},Int32,1,3},1}) at cell_list.jl:266
└ @ NeighbourLists ~/.julia/packages/NeighbourLists/mW4WV/src/cell_list.jl:266
---------|-----------
h | error
---------|-----------
1.0e-02 | 1.76e-01