Package evaluation of Polynomials4ML on Julia 1.11.4 (a71dd056e0*) started at 2025-04-08T16:41:07.399 ################################################################################ # Set-up # Installing PkgEval dependencies (TestEnv)... Set-up completed after 9.01s ################################################################################ # Installation # Installing Polynomials4ML... Resolving package versions... Updating `~/.julia/environments/v1.11/Project.toml` [03c4bcba] + Polynomials4ML v0.3.2 Updating `~/.julia/environments/v1.11/Manifest.toml` [14bae519] + ACEbase v0.4.4 [79e6a3ab] + Adapt v4.3.0 [dce04be8] + ArgCheck v2.5.0 [4fba245c] + ArrayInterface v7.18.0 [6e4b80f9] + BenchmarkTools v1.6.0 [62783981] + BitTwiddlingConvenienceFunctions v0.1.6 [8ce10254] + Bumper v0.7.1 [2a0fbf3d] + CPUSummary v0.2.6 [49dc2e85] + Calculus v0.5.2 [d360d2e6] + ChainRulesCore v1.25.1 [fb6a15b2] + CloseOpenIntervals v0.1.13 [6309b1aa] + CodecInflate64 v0.1.3 [944b1d66] + CodecZlib v0.7.8 [861a8166] + Combinatorics v1.0.2 [bbf7d656] + CommonSubexpressions v0.3.1 [f70d9fcc] + CommonWorldInvalidations v1.0.0 [34da2185] + Compat v4.16.0 [adafc99b] + CpuId v0.3.1 [864edb3b] + DataStructures v0.18.22 [163ba53b] + DiffResults v1.1.0 [b552c78f] + DiffRules v1.15.1 [8d63f2c5] + DispatchDoctor v0.4.19 [ffbed154] + DocStringExtensions v0.9.4 ⌅ [f6369f11] + ForwardDiff v0.10.38 [3e5b6fbb] + HostCPUFeatures v0.1.17 [50ceba7f] + HyperDualNumbers v4.0.10 [615f187c] + IfElse v0.1.1 [0c81fc1b] + InputBuffers v1.0.1 [92d709cd] + IrrationalConstants v0.2.4 [692b3bcd] + JLLWrappers v1.7.0 [682c06a0] + JSON v0.21.4 [10f19ff3] + LayoutPointers v0.1.17 [2ab3a3ac] + LogExpFunctions v0.3.29 [bdcacae8] + LoopVectorization v0.12.172 [bb33d45b] + LuxCore v1.2.4 [1914dd2f] + MacroTools v0.5.15 [d125e4d3] + ManualMemory v0.1.8 [77ba4419] + NaNMath v1.1.3 [6fd5a793] + Octavian v0.3.28 [6fe1bfb0] + OffsetArrays v1.16.0 [bac558e1] + OrderedCollections v1.8.0 [69de0a69] + Parsers v2.8.1 [1d0040c9] + PolyesterWeave v0.2.2 [03c4bcba] + Polynomials4ML v0.3.2 ⌅ [aea7be01] + PrecompileTools v1.2.1 [21216c6a] + Preferences v1.4.3 [1fd47b50] + QuadGK v2.11.2 [189a3867] + Reexport v1.2.2 [ae029012] + Requires v1.3.1 [94e857df] + SIMDTypes v0.1.0 [476501e8] + SLEEFPirates v0.6.43 [276daf66] + SpecialFunctions v2.5.0 [5caf2b29] + SpheriCart v0.1.3 [aedffcd0] + Static v1.2.0 [0d7ed370] + StaticArrayInterface v1.8.0 [90137ffa] + StaticArrays v1.9.13 [1e83bf80] + StaticArraysCore v1.4.3 [10745b16] + Statistics v1.11.1 [d1fa6d79] + StrideArrays v0.1.29 [7792a7ef] + StrideArraysCore v0.5.7 [69024149] + StringEncodings v0.3.7 [8290d209] + ThreadingUtilities v0.5.2 [3bb67fe8] + TranscodingStreams v0.11.3 [3a884ed6] + UnPack v1.0.2 [c4a57d5a] + UnsafeArrays v1.0.7 [3d5dd08c] + VectorizationBase v0.21.71 [33b4df10] + VectorizedRNG v0.2.25 [3b853605] + VectorizedStatistics v0.5.10 [fb1aa66a] + WithAlloc v0.1.1 [ddb6d928] + YAML v0.4.13 [49080126] + ZipArchives v2.4.1 [94ce4f54] + Libiconv_jll v1.18.0+0 [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 [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 [a63ad114] + Mmap v1.11.0 [de0858da] + Printf v1.11.0 [9abbd945] + Profile v1.11.0 [9a3f8284] + Random v1.11.0 [ea8e919c] + SHA v0.7.0 [9e88b42a] + Serialization v1.11.0 [6462fe0b] + Sockets v1.11.0 [2f01184e] + SparseArrays 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 [bea87d4a] + SuiteSparse_jll v7.7.0+0 [83775a58] + Zlib_jll v1.2.13+1 [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 4.53s ################################################################################ # Precompilation # Precompiling PkgEval dependencies... Precompiling package dependencies... Precompilation completed after 172.97s ################################################################################ # Testing # Testing Polynomials4ML Status `/tmp/jl_x9Yvnj/Project.toml` [14bae519] ACEbase v0.4.4 [6e4b80f9] BenchmarkTools v1.6.0 [8ce10254] Bumper v0.7.1 [d360d2e6] ChainRulesCore v1.25.1 [861a8166] Combinatorics v1.0.2 ⌅ [f6369f11] ForwardDiff v0.10.38 [50ceba7f] HyperDualNumbers v4.0.10 [b2108857] Lux v1.12.1 [bb33d45b] LuxCore v1.2.4 [3bd65402] Optimisers v0.4.6 [03c4bcba] Polynomials4ML v0.3.2 [1fd47b50] QuadGK v2.11.2 [276daf66] SpecialFunctions v2.5.0 [5caf2b29] SpheriCart v0.1.3 [90137ffa] StaticArrays v1.9.13 [d1fa6d79] StrideArrays v0.1.29 [fb1aa66a] WithAlloc v0.1.1 [e88e6eb3] Zygote v0.7.6 [37e2e46d] LinearAlgebra v1.11.0 [de0858da] Printf v1.11.0 [9a3f8284] Random v1.11.0 [2f01184e] SparseArrays v1.11.0 [8dfed614] Test v1.11.0 Status `/tmp/jl_x9Yvnj/Manifest.toml` [14bae519] ACEbase v0.4.4 [47edcb42] ADTypes v1.14.0 [621f4979] AbstractFFTs v1.5.0 [79e6a3ab] Adapt v4.3.0 [dce04be8] ArgCheck v2.5.0 [4fba245c] ArrayInterface v7.18.0 [a9b6321e] Atomix v1.1.1 [6e4b80f9] BenchmarkTools v1.6.0 [62783981] BitTwiddlingConvenienceFunctions v0.1.6 [8ce10254] Bumper v0.7.1 [2a0fbf3d] CPUSummary v0.2.6 [49dc2e85] Calculus v0.5.2 [082447d4] ChainRules v1.72.3 [d360d2e6] ChainRulesCore v1.25.1 [fb6a15b2] CloseOpenIntervals v0.1.13 [6309b1aa] CodecInflate64 v0.1.3 [944b1d66] CodecZlib v0.7.8 [861a8166] Combinatorics v1.0.2 [bbf7d656] CommonSubexpressions v0.3.1 [f70d9fcc] CommonWorldInvalidations v1.0.0 [34da2185] Compat v4.16.0 [2569d6c7] ConcreteStructs v0.2.3 [187b0558] ConstructionBase v1.5.8 [adafc99b] CpuId v0.3.1 [9a962f9c] DataAPI v1.16.0 [864edb3b] DataStructures v0.18.22 [e2d170a0] DataValueInterfaces v1.0.0 [163ba53b] DiffResults v1.1.0 [b552c78f] DiffRules v1.15.1 [8d63f2c5] DispatchDoctor v0.4.19 [ffbed154] DocStringExtensions v0.9.4 [f151be2c] EnzymeCore v0.8.8 [9aa1b823] FastClosures v0.3.2 [1a297f60] FillArrays v1.13.0 ⌅ [f6369f11] ForwardDiff v0.10.38 [d9f16b24] Functors v0.5.2 [46192b85] GPUArraysCore v0.2.0 [076d061b] HashArrayMappedTries v0.2.0 [3e5b6fbb] HostCPUFeatures v0.1.17 [50ceba7f] HyperDualNumbers v4.0.10 [7869d1d1] IRTools v0.4.14 [615f187c] IfElse v0.1.1 [0c81fc1b] InputBuffers v1.0.1 [92d709cd] IrrationalConstants v0.2.4 [82899510] IteratorInterfaceExtensions v1.0.0 [692b3bcd] JLLWrappers v1.7.0 [682c06a0] JSON v0.21.4 [63c18a36] KernelAbstractions v0.9.34 [10f19ff3] LayoutPointers v0.1.17 [2ab3a3ac] LogExpFunctions v0.3.29 [bdcacae8] LoopVectorization v0.12.172 [b2108857] Lux v1.12.1 [bb33d45b] LuxCore v1.2.4 [82251201] LuxLib v1.7.2 [7e8f7934] MLDataDevices v1.9.1 [1914dd2f] MacroTools v0.5.15 [d125e4d3] ManualMemory v0.1.8 [872c559c] NNlib v0.9.30 [77ba4419] NaNMath v1.1.3 [6fd5a793] Octavian v0.3.28 [6fe1bfb0] OffsetArrays v1.16.0 [3bd65402] Optimisers v0.4.6 [bac558e1] OrderedCollections v1.8.0 [69de0a69] Parsers v2.8.1 [f517fe37] Polyester v0.7.16 [1d0040c9] PolyesterWeave v0.2.2 [03c4bcba] Polynomials4ML v0.3.2 ⌅ [aea7be01] PrecompileTools v1.2.1 [21216c6a] Preferences v1.4.3 [1fd47b50] QuadGK v2.11.2 [c1ae055f] RealDot v0.1.0 [189a3867] Reexport v1.2.2 [ae029012] Requires v1.3.1 [94e857df] SIMDTypes v0.1.0 [476501e8] SLEEFPirates v0.6.43 [7e506255] ScopedValues v1.3.0 [efcf1570] Setfield v1.1.2 [dc90abb0] SparseInverseSubset v0.1.2 [276daf66] SpecialFunctions v2.5.0 [5caf2b29] SpheriCart v0.1.3 [aedffcd0] Static v1.2.0 [0d7ed370] StaticArrayInterface v1.8.0 [90137ffa] StaticArrays v1.9.13 [1e83bf80] StaticArraysCore v1.4.3 [10745b16] Statistics v1.11.1 [d1fa6d79] StrideArrays v0.1.29 [7792a7ef] StrideArraysCore v0.5.7 [69024149] StringEncodings v0.3.7 [09ab397b] StructArrays v0.7.1 [3783bdb8] TableTraits v1.0.1 [bd369af6] Tables v1.12.0 [8290d209] ThreadingUtilities v0.5.2 [3bb67fe8] TranscodingStreams v0.11.3 [3a884ed6] UnPack v1.0.2 [c4a57d5a] UnsafeArrays v1.0.7 [013be700] UnsafeAtomics v0.3.0 [3d5dd08c] VectorizationBase v0.21.71 [33b4df10] VectorizedRNG v0.2.25 [3b853605] VectorizedStatistics v0.5.10 [d49dbf32] WeightInitializers v1.1.1 [fb1aa66a] WithAlloc v0.1.1 [ddb6d928] YAML v0.4.13 [49080126] ZipArchives v2.4.1 [e88e6eb3] Zygote v0.7.6 [700de1a5] ZygoteRules v0.2.7 [94ce4f54] Libiconv_jll v1.18.0+0 [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 [a63ad114] Mmap v1.11.0 [de0858da] Printf v1.11.0 [9abbd945] Profile v1.11.0 [9a3f8284] Random v1.11.0 [ea8e919c] SHA v0.7.0 [9e88b42a] Serialization v1.11.0 [6462fe0b] Sockets v1.11.0 [2f01184e] SparseArrays v1.11.0 [4607b0f0] SuiteSparse [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 [bea87d4a] SuiteSparse_jll v7.7.0+0 [83775a58] Zlib_jll v1.2.13+1 [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... Precompiling Zygote... 12385.4 ms ✓ ChainRules 65886.9 ms ✓ Zygote 2 dependencies successfully precompiled in 80 seconds. 63 already precompiled. Precompiling StructArraysStaticArraysExt... 1560.4 ms ✓ StructArrays → StructArraysStaticArraysExt 1 dependency successfully precompiled in 2 seconds. 19 already precompiled. Precompiling ArrayInterfaceChainRulesExt... 1745.1 ms ✓ ArrayInterface → ArrayInterfaceChainRulesExt 1 dependency successfully precompiled in 2 seconds. 40 already precompiled. [ Info: Testing OrthPolyBasis1D3T [ Info: Test a randomly generated polynomial basis - 1 [ Info: Test consistency of evaluate_** ++++++++++++++++++++++++++++++++++++++++ [ Info: Test correctness of derivatives ++++++++++++++++ [ Info: Test consistency of batched evaluation Test Passed Test Passed Test Passed Test Passed Test Passed nalloc = 0 (allowed = 0) ++++ nalloc = 0 (allowed = 0) ++++ [ Info: Testing rrule(evaluate) - OrthPolyBasis1D3T(maxn = 8) ++++++++++ [ Info: Test a randomly generated polynomial basis - 2 [ Info: Test consistency of evaluate_** ++++++++++++++++++++++++++++++++++++++++ [ Info: Test correctness of derivatives ++++++++++++++++ [ Info: Test consistency of batched evaluation Test Passed Test Passed Test Passed Test Passed Test Passed nalloc = 0 (allowed = 0) ++++ nalloc = 0 (allowed = 0) ++++ [ Info: Testing rrule(evaluate) - OrthPolyBasis1D3T(maxn = 8) ++++++++++ [ Info: Test a randomly generated polynomial basis - 3 [ Info: Test consistency of evaluate_** ++++++++++++++++++++++++++++++++++++++++ [ Info: Test correctness of derivatives ++++++++++++++++ [ Info: Test consistency of batched evaluation Test Passed Test Passed Test Passed Test Passed Test Passed nalloc = 0 (allowed = 0) ++++ nalloc = 0 (allowed = 0) ++++ [ Info: Testing rrule(evaluate) - OrthPolyBasis1D3T(maxn = 7) ++++++++++ [ Info: Test the Legendre polynomials [ Info: orthogonality Test Passed [ Info: derivatives [ Info: Test consistency of evaluate_** ++++++++++++++++++++++++++++++++++++++++ [ Info: Test correctness of derivatives ++++++++++++++++ [ Info: Test consistency of batched evaluation Test Passed Test Passed Test Passed Test Passed Test Passed nalloc = 0 (allowed = 0) ++++ nalloc = 0 (allowed = 0) ++++ [ Info: Testing rrule(evaluate) - OrthPolyBasis1D3T(maxn = 20) ++++++++++ [ Info: Test the Random Jacobi Polynomials [ Info: α = 1.6297454201447468, β = 1.2230783088240147 [ Info: orthogonality Test Passed [ Info: derivatives [ Info: Test consistency of evaluate_** ++++++++++++++++++++++++++++++++++++++++ [ Info: Test correctness of derivatives ++++++++++++++++ [ Info: Test consistency of batched evaluation Test Passed Test Passed Test Passed Test Passed Test Passed nalloc = 0 (allowed = 0) ++++ nalloc = 0 (allowed = 0) ++++ [ Info: Testing rrule(evaluate) - OrthPolyBasis1D3T(maxn = 20) ++++++++++ [ Info: Test the Random Jacobi Polynomials [ Info: α = 1.098178986120171, β = 1.0583183420235995 [ Info: orthogonality Test Passed [ Info: derivatives [ Info: Test consistency of evaluate_** ++++++++++++++++++++++++++++++++++++++++ [ Info: Test correctness of derivatives ++++++++++++++++ [ Info: Test consistency of batched evaluation Test Passed Test Passed Test Passed Test Passed Test Passed nalloc = 0 (allowed = 0) ++++ nalloc = 0 (allowed = 0) ++++ [ Info: Testing rrule(evaluate) - OrthPolyBasis1D3T(maxn = 20) ++++++++++ [ Info: Test the Random Jacobi Polynomials [ Info: α = 1.1103901514299843, β = 1.6535288531320238 [ Info: orthogonality Test Passed [ Info: derivatives [ Info: Test consistency of evaluate_** ++++++++++++++++++++++++++++++++++++++++ [ Info: Test correctness of derivatives ++++++++++++++++ [ Info: Test consistency of batched evaluation Test Passed Test Passed Test Passed Test Passed Test Passed nalloc = 0 (allowed = 0) ++++ nalloc = 0 (allowed = 0) ++++ [ Info: Testing rrule(evaluate) - OrthPolyBasis1D3T(maxn = 20) ++++++++++ [ Info: Test normalized cheb basis [ Info: coeffs Test Passed [ Info: orthogonality Test Passed [ Info: derivatives [ Info: Test consistency of evaluate_** ++++++++++++++++++++++++++++++++++++++++ [ Info: Test correctness of derivatives ++++++++++++++++ [ Info: Test consistency of batched evaluation Test Passed Test Passed Test Passed Test Passed Test Passed nalloc = 0 (allowed = 0) ++++ nalloc = 0 (allowed = 0) ++++ [ Info: Testing rrule(evaluate) - OrthPolyBasis1D3T(maxn = 20) ++++++++++ [ Info: Check correctness of Chebyshev Basis (normalize=false) [ Info: recursion coefficients Test Passed [ Info: consistency with ChebBasis Test Passed [ Info: check that the orthogonality relation is satisfied ++++++++++++++++++++++++++++++ [ Info: Testing Real Chebyshev Polynomials (ChebBasis) [ Info: correctness +++++++++++++++++++++++++++++++ [ Info: Test consistency of evaluate_** ++++++++++++++++++++++++++++++++++++++++ [ Info: Test correctness of derivatives ++++++++++++++++ [ Info: Test consistency of batched evaluation Test Passed Test Passed Test Passed Test Passed Test Passed [ Info: Test consistency of evaluate_** ++++++++++++++++++++++++++++++++++++++++ [ Info: Test correctness of derivatives ++++++++++++++++ [ Info: Test consistency of batched evaluation Test Passed Test Passed Test Passed Test Passed Test Passed nalloc = 0 (allowed = 0) ++++ nalloc = 0 (allowed = 0) ++++ nalloc = 0 (allowed = 0) ++++ nalloc = 0 (allowed = 0) ++++ [ Info: Testing rrule(evaluate) - ChebBasis(10, Dict{String, Any}()) ++++++++++ [ Info: Testing rrule(evaluate) - OrthPolyBasis1D3T(maxn = 10) ++++++++++ [ Info: Testing Complex Trigonometric Polynomials (CTrigBasis) [ Info: correctness ++++++++++ [ Info: Test consistency of evaluate_** ++++++++++++++++++++++++++++++++++++++++ [ Info: Test correctness of derivatives ++++++++++++++++ [ Info: Test consistency of batched evaluation Test Passed Test Passed Test Passed Test Passed Test Passed [ Info: Testing rrule(evaluate) - CTrigBasis(10, Dict{String, Any}()) ++++++++++ ┌ Error: test withalloc => CTrigBasis fails the allocation test! └ @ Main ~/.julia/packages/Polynomials4ML/LopCY/test/test_trig.jl:36 [ Info: Testing Real Trigonometric Polynomials (RTrigBasis) [ Info: correctness ++++++++++++++++++++++++++++++ [ Info: Test consistency of evaluate_** ++++++++++++++++++++++++++++++++++++++++ [ Info: Test correctness of derivatives ++++++++++++++++ [ Info: Test consistency of batched evaluation Test Passed Test Passed Test Passed Test Passed Test Passed nalloc = 0 (allowed = 0) ++++ nalloc = 0 (allowed = 0) ++++ [ Info: Testing rrule(evaluate) - RTrigBasis(10, Dict{String, Any}()) ++++++++++ [ Info: Check a few conventions of the sphericart implementation ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ [ Info: Test Racah normalization ++++++++++++++++++++ [ Info: Confirm L2-orthonormalization - real Test Passed [ Info: Confirm L2-orthonormalization - complex Test Passed [ Info: Check consistency of spherical and solid ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ [ Info: Test: check derivatives of 3D harmonics [ Info: Tests for SphericalHarmonics(ℝ, maxl=10) [ Info: Testing rrule(evaluate) - SphericalHarmonics(ℝ, maxl=10) ++++++++++ [ Info: Test consistency of evaluate_** ++++++++++++++++ [ Info: Test correctness of derivatives ++++++++ [ Info: Test consistency of batched evaluation Test Passed Test Passed nalloc = 0 (allowed = 0) +++ nalloc = 0 (allowed = 0) +++ [ Info: Tests for SolidHarmonics(ℝ, maxl=11) [ Info: Testing rrule(evaluate) - SolidHarmonics(ℝ, maxl=11) ++++++++++ [ Info: Test consistency of evaluate_** ++++++++++++++++ [ Info: Test correctness of derivatives ++++++++ [ Info: Test consistency of batched evaluation Test Passed Test Passed nalloc = 0 (allowed = 0) +++ nalloc = 0 (allowed = 0) +++ [ Info: Tests for SolidHarmonics(ℝ, maxl=12) [ Info: Testing rrule(evaluate) - SolidHarmonics(ℝ, maxl=12) ++++++++++ [ Info: Test consistency of evaluate_** ++++++++++++++++ [ Info: Test correctness of derivatives ++++++++ [ Info: Test consistency of batched evaluation Test Passed Test Passed nalloc = 0 (allowed = 0) +++ nalloc = 0 (allowed = 0) +++ [ Info: Tests for SphericalHarmonics(ℂ, maxl=9) [ Info: Testing rrule(evaluate) - SphericalHarmonics(ℂ, maxl=9) ++++++++++ [ Info: Test consistency of evaluate_** ++++++++++++++++ [ Info: Test correctness of derivatives ++++++++ [ Info: Test consistency of batched evaluation Test Passed Test Passed ┌ Error: withalloc test fails for complex spherical harmonics └ @ Main ~/.julia/packages/Polynomials4ML/LopCY/test/test_sphericart.jl:200 [ Info: Tests for SolidHarmonics(ℂ, maxl=11) [ Info: Testing rrule(evaluate) - SolidHarmonics(ℂ, maxl=11) ++++++++++ [ Info: Test consistency of evaluate_** ++++++++++++++++ [ Info: Test correctness of derivatives ++++++++ [ Info: Test consistency of batched evaluation Test Passed Test Passed ┌ Error: withalloc test fails for complex spherical harmonics └ @ Main ~/.julia/packages/Polynomials4ML/LopCY/test/test_sphericart.jl:200 [ Info: Testing GaussianBasis [ Info: Test consistency of evaluate_** ++++++++++++++++++++++++++++++++++++++++ [ Info: Test correctness of derivatives ++++++++++++++++ [ Info: Test consistency of batched evaluation Test Passed Test Passed Test Passed Test Passed Test Passed [ Info: Testing rrule(evaluate) - AtomicOrbitalsRadials(OrthPolyBasis1D3T(maxn = 6), GaussianBasis(45)) ++++++++++ ┌ Warning: There are some allocations in GaussianBasis - to be test!!! └ @ Main ~/.julia/packages/Polynomials4ML/LopCY/test/test_atorbrad.jl:24 nalloc = 192 (allowed = 192) ++++ nalloc = 0 (allowed = 192) ++++ ++++++++++++++++++++++++++++++ Precompiling LuxCoreFunctorsExt... 1459.8 ms ✓ LuxCore → LuxCoreFunctorsExt 1 dependency successfully precompiled in 2 seconds. 14 already precompiled. 1.0e-03 | 5.76e-03 1.0e-04 | 5.76e-04 1.0e-05 | 5.77e-05 1.0e-06 | 5.83e-06 1.0e-07 | 1.54e-06 1.0e-08 | 2.11e-05 1.0e-09 | 2.06e-04 1.0e-10 | 1.61e-03 1.0e-11 | 1.66e-02 1.0e-12 | 1.31e-01 [ Info: Test rrule ++++++++++++++++++++++++++++++ [ Info: Testing SlaterBasis [ Info: Test consistency of evaluate_** ++++++++++++++++++++++++++++++++++++++++ [ Info: Test correctness of derivatives ++++++++++++++++ [ Info: Test consistency of batched evaluation Test Passed Test Passed Test Passed Test Passed Test Passed [ Info: Testing rrule(evaluate) - AtomicOrbitalsRadials(OrthPolyBasis1D3T(maxn = 6), SlaterBasis(...)) ++++++++++ ┌ Warning: There are some allocations in AOR - to be test!!! └ @ Main ~/.julia/packages/Polynomials4ML/LopCY/test/test_atorbrad.jl:147 nalloc = 192 (allowed = 192) ++++ nalloc = 0 (allowed = 192) ++++ ++++++++++++++++++++++++++++++ WARNING: Method definition grad_test2(Any, Any, AbstractArray{T, 1} where T) in module Main at /home/pkgeval/.julia/packages/Polynomials4ML/LopCY/test/test_atorbrad.jl:83 overwritten at /home/pkgeval/.julia/packages/Polynomials4ML/LopCY/test/test_atorbrad.jl:204. 1.0e-03 | 7.52e-03 1.0e-04 | 7.52e-04 1.0e-05 | 7.52e-05 1.0e-06 | 7.49e-06 1.0e-07 | 2.20e-06 1.0e-08 | 1.86e-05 1.0e-09 | 2.18e-04 1.0e-10 | 1.58e-03 1.0e-11 | 1.62e-02 1.0e-12 | 1.95e-01 [ Info: Test rrule ++++++++++++++++++++++++++++++ [ Info: Testing STOBasis [ Info: Test consistency of evaluate_** ++++++++++++++++++++++++++++++++++++++++ [ Info: Test correctness of derivatives ++++++++++++++++ [ Info: Test consistency of batched evaluation Test Passed Test Passed Test Passed Test Passed Test Passed [ Info: Testing rrule(evaluate) - AtomicOrbitalsRadials(OrthPolyBasis1D3T(maxn = 6), STO_NG(...)) ++++++++++ ┌ Warning: There are some allocations in AOR - to be test!!! └ @ Main ~/.julia/packages/Polynomials4ML/LopCY/test/test_atorbrad.jl:271 nalloc = 192 (allowed = 192) ++++ nalloc = 0 (allowed = 192) ++++ [ Info: Test evaluation with a single input (no pooling) ++++++++++++++++++++++++++++++ [ Info: Test pooling of multiple inputs ++++++++++++++++++++++++++++++ [ Info: testing withalloc single: nalloc = 0 (allowed = 0) Test Passed Test Passed [ Info: Testing rrule ++++++++++++++++++++++++++++++ [ Info: Testing pullback2 for PooledSparseProduct ++++++++++++++++++++ [ Info: Testing pushforward for PooledSparseProduct ++++++++++++++++++++++++++++++++++++++++ Precompiling Lux... 1868.6 ms ✓ MLDataDevices 938.3 ms ✓ LuxCore → LuxCoreSetfieldExt 6692.5 ms ✓ WeightInitializers 14391.0 ms ✓ NNlib 1586.7 ms ✓ MLDataDevices → MLDataDevicesChainRulesCoreExt 1011.3 ms ✓ LuxCore → LuxCoreMLDataDevicesExt 2107.1 ms ✓ WeightInitializers → WeightInitializersChainRulesCoreExt 2424.9 ms ✓ NNlib → NNlibEnzymeCoreExt 2467.3 ms ✓ NNlib → NNlibSpecialFunctionsExt 2656.2 ms ✓ NNlib → NNlibForwardDiffExt 13989.3 ms ✓ LuxLib 25254.2 ms ✓ Lux 12 dependencies successfully precompiled in 76 seconds. 93 already precompiled. Precompiling StructArraysGPUArraysCoreExt... 1864.7 ms ✓ StructArrays → StructArraysGPUArraysCoreExt 1 dependency successfully precompiled in 3 seconds. 34 already precompiled. Precompiling MLDataDevicesZygoteExt... 943.0 ms ✓ MLDataDevices → MLDataDevicesFillArraysExt 1269.4 ms ✓ MLDataDevices → MLDataDevicesSparseArraysExt 1845.6 ms ✓ MLDataDevices → MLDataDevicesChainRulesExt 4506.4 ms ✓ MLDataDevices → MLDataDevicesZygoteExt 4 dependencies successfully precompiled in 9 seconds. 68 already precompiled. Precompiling LuxLibLoopVectorizationExt... 7972.5 ms ✓ LuxLib → LuxLibSLEEFPiratesExt 17734.9 ms ✓ LuxLib → LuxLibLoopVectorizationExt 2 dependencies successfully precompiled in 29 seconds. 100 already precompiled. Precompiling LuxLibOctavianExt... 5014.1 ms ✓ LuxLib → LuxLibOctavianExt 1 dependency successfully precompiled in 6 seconds. 104 already precompiled. Precompiling LuxZygoteExt... 7745.6 ms ✓ Lux → LuxZygoteExt 1 dependency successfully precompiled in 9 seconds. 143 already precompiled. [ Info: Test consistency of SparseSymmetricProduct with SimpleProdBasis [ Info: check against simple implementation Test Passed [ Info: reconstruct spec Test Passed Test Passed [ Info: Test with a constant Test Passed Test Passed Test Passed Test Passed Test Passed Test Passed [ Info: Test gradient of SparseSymmetricProduct ++++++++++ [ Info: Test consistency of serial and batched evaluation Test Passed [ Info: Test consistency of serial and batched evaluation with constant Test Passed [ Info: Test batched rrule ++++++++++++++++++++++++++++++ [ Info: Test pullback2 ++++++++++++++++++++++++++++++ [ Info: Test batched double-pullback ++++++++++++++++++++++++++++++ [ Info: Testing basic pushforward ++++++++++++++++++++ [ Info: Testing batched basic pushforward ++++++++++++++++++++ [ Info: Test consistency of SparseSymmetricProduct with SimpleProdBasis [ Info: check against simple implementation Test Passed [ Info: reconstruct spec Test Passed [ Info: Test with a constant Test Passed Test Passed Test Passed Test Passed Test Passed Test Passed [ Info: Test gradient of SparseSymmetricProduct 1.00e+00 | 7.96e-03 1.00e-01 | 8.35e-04 1.00e-02 | 8.39e-05 1.00e-03 | 8.39e-06 1.00e-04 | 8.39e-07 1.00e-05 | 8.39e-08 1.00e-06 | 8.31e-09 1.00e-07 | 2.40e-10 1.00e-08 | 8.57e-09 1.00e-09 | 2.80e-08 1.00e-10 | 9.16e-07 Test Passed [ Info: Test consistency of serial and batched evaluation Test Passed [ Info: Test consistency of serial and batched evaluation with constant Test Passed [ Info: Test batched rrule ++++++++++++++++++++++++++++++ [ Info: Testing lux interface [ Info: Test consistency of lux and basis Test Passed [ Info: Test serial evaluation ++++++++++++++++++++++++++++++ [ Info: Test batch evaluation ++++++++++++++++++++++++++++++ [ Info: testing withalloc single: nalloc = 0 (allowed = 0) Test Passed Test Passed [ Info: Testing rrule ++++++++++++++++++++++++++++++ [ Info: Testing LinearLayer [ Info: Testing default constructor is using feature_first = false Test Passed [ Info: Testing feature_first = true [ Info: Testing evaluate ++++++++++++++++++++++++++++++ [ Info: Testing rrule ++++++++++++++++++++++++++++++ [ Info: Testing rrule w.r.t ps.W ++++++++++++++++++++++++++++++ [ Info: Testing feature_first = false [ Info: Testing evaluate on vector input vs batch input ++++++++++++++++++++++++++++++ [ Info: Testing rrule for vector input ++++++++++++++++++++++++++++++ [ Info: Testing evaluate ++++++++++++++++++++++++++++++ [ Info: Testing rrule ++++++++++++++++++++++++++++++ [ Info: Testing rrule w.r.t ps.W ++++++++++++++++++++++++++++++ [ Info: Testing _static_prod ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ [ Info: Testing Lux Layers for basic basis sets Test Passed Test Passed Test Passed Test Passed Test Passed Test Summary: | Pass Total Time Polynomials4ML.jl | 2729 2729 14m57.5s Testing Polynomials4ML tests passed Testing completed after 903.68s PkgEval succeeded after 1107.49s