Package evaluation to test JenaAtomicCalculator on Julia 1.14.0-DEV.2086 (d19eac062f*) started at 2026-04-29T03:54:24.156 ################################################################################ # Set-up # Installing PkgEval dependencies (TestEnv)... Activating project at `~/.julia/environments/v1.14` Set-up completed after 14.55s ################################################################################ # Installation # Installing JenaAtomicCalculator... Resolving package versions... Installed libaom_jll ─────────────────── v3.13.3+0 Installed libass_jll ─────────────────── v0.17.4+0 Installed CommonWorldInvalidations ───── v1.0.0 Installed Bzip2_jll ──────────────────── v1.0.9+0 Installed HarfBuzz_jll ───────────────── v8.5.1+0 Installed Qt6Base_jll ────────────────── v6.10.2+1 Installed Libuuid_jll ────────────────── v2.42.0+0 Installed PlotThemes ─────────────────── v3.3.0 Installed OrderedCollections ─────────── v1.8.1 Installed Libtiff_jll ────────────────── v4.7.2+0 Installed libinput_jll ───────────────── v1.28.1+0 Installed Cairo_jll ──────────────────── v1.18.6+0 Installed Xorg_libXinerama_jll ───────── v1.1.7+0 Installed GracefulPkg ────────────────── v2.4.3 Installed Xorg_libpciaccess_jll ──────── v0.19.0+0 Installed Graphite2_jll ──────────────── v1.3.15+0 Installed MIMEs ──────────────────────── v1.1.0 Installed Malt ───────────────────────── v1.4.1 Installed Compiler ───────────────────── v0.1.1 Installed Fontconfig_jll ─────────────── v2.17.1+0 Installed GaussQuadrature ────────────── v0.5.8 Installed fzf_jll ────────────────────── v0.61.1+0 Installed NaNMath ────────────────────── v1.1.3 Installed QuadGK ─────────────────────── v2.11.3 Installed OpenSpecFun_jll ────────────── v0.5.6+0 Installed FileIO ─────────────────────── v1.18.0 Installed Revise ─────────────────────── v3.14.2 Installed Opus_jll ───────────────────── v1.6.1+0 Installed MsgPack ────────────────────── v1.2.1 Installed Ogg_jll ────────────────────── v1.3.6+0 Installed Unzip ──────────────────────── v0.2.0 Installed LoweredCodeUtils ───────────── v3.5.1 Installed Reexport ───────────────────── v1.2.2 Installed Tables ─────────────────────── v1.12.1 Installed Xorg_libxcb_jll ────────────── v1.17.1+0 Installed libva_jll ──────────────────── v2.23.0+0 Installed ScopedValues ───────────────── v1.6.1 Installed GSL_jll ────────────────────── v2.8.1+0 Installed BandedMatrices ─────────────── v1.11.0 Installed Missings ───────────────────── v1.2.0 Installed Preferences ────────────────── v1.5.2 Installed RegistryInstances ──────────── v0.1.0 Installed FFMPEG ─────────────────────── v0.4.5 Installed TableTraits ────────────────── v1.0.1 Installed Xorg_xcb_util_wm_jll ───────── v0.4.2+0 Installed Static ─────────────────────── v1.3.1 Installed SortingAlgorithms ──────────── v1.2.2 Installed LERC_jll ───────────────────── v4.1.0+0 Installed HypertextLiteral ───────────── v1.0.0 Installed LaTeXStrings ───────────────── v1.4.0 Installed Grisu ──────────────────────── v1.0.2 Installed eudev_jll ──────────────────── v3.2.14+0 Installed Format ─────────────────────── v1.3.7 Installed libdrm_jll ─────────────────── v2.4.125+1 Installed LLVMOpenMP_jll ─────────────── v18.1.8+0 Installed Xorg_libICE_jll ────────────── v1.1.2+0 Installed EpollShim_jll ──────────────── v0.0.20230411+1 (no artifacts on this platform) Installed Configurations ─────────────── v0.17.6 Installed DiffResults ────────────────── v1.1.0 Installed URIs ───────────────────────── v1.6.1 Installed MacroTools ─────────────────── v0.5.16 Installed DataStructures ─────────────── v0.18.22 Installed BSplineKit ─────────────────── v0.19.2 Installed DelimitedFiles ─────────────── v1.9.1 Installed FillArrays ─────────────────── v1.16.0 Installed SymEngine ──────────────────── v0.12.0 Installed Tricks ─────────────────────── v0.1.13 Installed StatsBase ──────────────────── v0.34.10 Installed Xorg_xcb_util_jll ──────────── v0.4.1+0 Installed UnicodeFun ─────────────────── v0.4.1 Installed CodecZlib ──────────────────── v0.7.8 Installed x264_jll ───────────────────── v10164.0.1+0 Installed mtdev_jll ──────────────────── v1.1.7+0 Installed ExpressionExplorer ─────────── v1.1.4 Installed DataValueInterfaces ────────── v1.0.0 Installed PrecompileSignatures ───────── v3.0.3 Installed Xorg_libXau_jll ────────────── v1.0.13+0 Installed Xorg_libXfixes_jll ─────────── v6.0.2+0 Installed Qt6ShaderTools_jll ─────────── v6.10.2+1 Installed CommonSubexpressions ───────── v0.3.1 Installed LoggingExtras ──────────────── v1.2.0 Installed Pixman_jll ─────────────────── v0.44.2+0 Installed Libffi_jll ─────────────────── v3.4.7+0 Installed Expat_jll ──────────────────── v2.8.0+0 Installed libdecor_jll ───────────────── v0.2.2+0 Installed Xorg_libXcursor_jll ────────── v1.2.4+0 Installed IrrationalConstants ────────── v0.2.6 Installed Contour ────────────────────── v0.6.3 Installed StructUtils ────────────────── v2.8.0 Installed Pluto ──────────────────────── v0.20.24 Installed ColorVectorSpace ───────────── v0.11.0 Installed ArrayLayouts ───────────────── v1.12.2 Installed StableRNGs ─────────────────── v1.0.4 Installed IntegerMathUtils ───────────── v0.1.3 Installed libfdk_aac_jll ─────────────── v2.0.4+0 Installed Xorg_xcb_util_keysyms_jll ──── v0.4.1+0 Installed BitFlags ───────────────────── v0.1.9 Installed Dierckx_jll ────────────────── v0.2.0+0 Installed libpng_jll ─────────────────── v1.6.58+0 Installed MPC_jll ────────────────────── v1.4.1+0 Installed HTTP ───────────────────────── v1.11.0 Installed FortranFiles ───────────────── v0.6.2 Installed Scratch ────────────────────── v1.3.0 Installed SimpleBufferStream ─────────── v1.2.0 Installed Qt6Svg_jll ─────────────────── v6.10.2+0 Installed FFMPEG_jll ─────────────────── v8.1.0+0 Installed RationalRoots ──────────────── v0.2.1 Installed Qt6Declarative_jll ─────────── v6.10.2+1 Installed WignerSymbols ──────────────── v2.0.0 Installed LRUCache ───────────────────── v1.6.2 Installed BenchmarkTools ─────────────── v1.8.0 Installed DocStringExtensions ────────── v0.9.5 Installed ZMQ ────────────────────────── v1.5.1 Installed VersionParsing ─────────────── v1.3.0 Installed SymEngine_jll ──────────────── v0.12.0+0 Installed Plots ──────────────────────── v1.41.6 Installed Ghostscript_jll ────────────── v9.55.1+0 Installed ForwardDiff ────────────────── v1.3.3 Installed RelocatableFolders ─────────── v1.0.1 Installed GSL ────────────────────────── v1.0.1 Installed ConcurrentUtilities ────────── v2.5.1 Installed HashArrayMappedTries ───────── v0.2.0 Installed JLFzf ──────────────────────── v0.1.11 Installed Cubature ───────────────────── v1.5.1 Installed PlutoDependencyExplorer ────── v1.2.2 Installed HalfIntegers ───────────────── v1.6.0 Installed AliasTables ────────────────── v1.1.3 Installed RecipesBase ────────────────── v1.3.4 Installed IteratorInterfaceExtensions ── v1.0.0 Installed DataAPI ────────────────────── v1.16.0 Installed Wayland_jll ────────────────── v1.24.0+0 Installed Measures ───────────────────── v0.3.3 Installed Colors ─────────────────────── v0.13.1 Installed libevdev_jll ───────────────── v1.13.4+0 Installed Xorg_libXi_jll ─────────────── v1.8.3+0 Installed Conda ──────────────────────── v1.10.3 Installed StaticArrays ───────────────── v1.9.18 Installed ColorSchemes ───────────────── v3.31.0 Installed Xorg_libxkbfile_jll ────────── v1.2.0+0 Installed Libglvnd_jll ───────────────── v1.7.1+1 Installed StaticArraysCore ───────────── v1.4.4 Installed CodeTracking ───────────────── v3.0.2 Installed FastGaussQuadrature ────────── v1.1.0 Installed Latexify ───────────────────── v0.16.10 Installed SciMLPublic ────────────────── v1.0.1 Installed Glib_jll ───────────────────── v2.86.3+0 Installed LogExpFunctions ────────────── v0.3.29 Installed DiffRules ──────────────────── v1.15.1 Installed Xorg_xkbcomp_jll ───────────── v1.4.7+0 Installed Vulkan_Loader_jll ──────────── v1.3.243+0 Installed ColorTypes ─────────────────── v0.12.1 Installed Xorg_xcb_util_cursor_jll ───── v0.1.6+0 Installed Requires ───────────────────── v1.3.1 Installed JuliaInterpreter ───────────── v0.10.12 Installed JSON ───────────────────────── v1.5.1 Installed Xorg_xcb_util_renderutil_jll ─ v0.3.10+0 Installed JLLWrappers ────────────────── v1.7.1 Installed ZeroMQ_jll ─────────────────── v4.3.6+0 Installed Parsers ────────────────────── v2.8.4 Installed libsodium_jll ──────────────── v1.0.21+0 Installed Xorg_libXdmcp_jll ──────────── v1.1.6+0 Installed Xorg_xkeyboard_config_jll ──── v2.47.0+0 Installed Xorg_libSM_jll ─────────────── v1.2.6+0 Installed XZ_jll ─────────────────────── v5.8.3+0 Installed x265_jll ───────────────────── v4.1.0+0 Installed Pango_jll ──────────────────── v1.57.1+0 Installed Primes ─────────────────────── v0.5.7 Installed GR_jll ─────────────────────── v0.73.24+0 Installed RecipesPipeline ────────────── v0.6.12 Installed Xorg_xtrans_jll ────────────── v1.6.0+0 Installed Dierckx ────────────────────── v0.5.4 Installed IJulia ─────────────────────── v1.34.4 Installed ExceptionUnwrapping ────────── v0.1.11 Installed TranscodingStreams ─────────── v0.11.3 Installed JpegTurbo_jll ──────────────── v3.1.5+0 Installed Dbus_jll ───────────────────── v1.16.2+0 Installed HypergeometricFunctions ────── v0.3.28 Installed Libmount_jll ───────────────── v2.42.0+0 Installed Compat ─────────────────────── v4.18.1 Installed JLD2 ───────────────────────── v0.5.15 Installed Xorg_libX11_jll ────────────── v1.8.13+0 Installed PlotUtils ──────────────────── v1.4.4 Installed TensorCore ─────────────────── v0.1.1 Installed Statistics ─────────────────── v1.11.1 Installed GR ─────────────────────────── v0.73.24 Installed MbedTLS ────────────────────── v1.1.10 Installed OpenSSL ────────────────────── v1.6.1 Installed Xorg_xcb_util_image_jll ────── v0.4.1+0 Installed StatsAPI ───────────────────── v1.8.0 Installed ProgressMeter ──────────────── v1.11.0 Installed ExproniconLite ─────────────── v0.10.14 Installed PrecompileTools ────────────── v1.3.3 Installed LAME_jll ───────────────────── v3.100.3+0 Installed xkbcommon_jll ──────────────── v1.13.0+0 Installed GettextRuntime_jll ─────────── v0.22.4+0 Installed GLFW_jll ───────────────────── v3.4.1+1 Installed FriBidi_jll ────────────────── v1.0.17+0 Installed Cubature_jll ───────────────── v1.0.5+0 Installed Xorg_libXrender_jll ────────── v0.9.12+0 Installed LazilyInitializedFields ────── v1.3.0 Installed IfElse ─────────────────────── v0.1.1 Installed libvorbis_jll ──────────────── v1.3.8+0 Installed Libiconv_jll ───────────────── v1.18.0+0 Installed Showoff ────────────────────── v1.0.3 Installed FixedPointNumbers ──────────── v0.8.5 Installed MbedTLS_jll ────────────────── v2.28.1010+0 Installed PtrArrays ──────────────────── v1.4.0 Installed FreeType2_jll ──────────────── v2.14.3+1 Installed SpecialFunctions ───────────── v2.7.2 Installed Xorg_libXext_jll ───────────── v1.3.8+0 Installed Xorg_libXrandr_jll ─────────── v1.5.6+0 Installed Qt6Wayland_jll ─────────────── v6.10.2+1 Installed JenaAtomicCalculator ───────── v0.3.0 Installing 86 artifacts Installed artifact Xorg_libXfixes 59.0 KiB Installed artifact Pixman 372.2 KiB Installed artifact LERC 267.4 KiB Installed artifact Xorg_xcb_util_cursor 27.6 KiB Installed artifact Libglvnd 833.5 KiB Installed artifact Graphite2 120.2 KiB Installed artifact xkbcommon 298.7 KiB Installed artifact Expat 287.9 KiB Installed artifact fzf 3.3 MiB Installed artifact MPC 225.0 KiB Installed artifact libaom 6.4 MiB Installed artifact Qt6Wayland 1.4 MiB Installed artifact Xorg_xtrans 48.2 KiB Installed artifact libfdk_aac 2.8 MiB Installed artifact Xorg_libX11 4.8 MiB Installed artifact Xorg_libXcursor 227.1 KiB Installed artifact FriBidi 78.9 KiB Installed artifact eudev 3.9 MiB Installed artifact Dbus 489.8 KiB Installed artifact Xorg_xcb_util_renderutil 32.1 KiB Installed artifact Xorg_libXinerama 25.5 KiB Installed artifact Fontconfig 984.8 KiB Installed artifact Xorg_libXi 1.6 MiB Installed artifact JpegTurbo 1.4 MiB Installed artifact Xorg_libxcb 2.1 MiB Installed artifact Xorg_libSM 164.1 KiB Installed artifact Xorg_libXrender 435.9 KiB Installed artifact libdrm 368.0 KiB Installed artifact HarfBuzz 1.7 MiB Installed artifact libdecor 44.1 KiB Installed artifact Xorg_xkbcomp 274.8 KiB Installed artifact Xorg_xcb_util_keysyms 17.8 KiB Installed artifact Libuuid 3.9 MiB Installed artifact MbedTLS 2.2 MiB Installed artifact GR 19.0 MiB Installed artifact libva 235.7 KiB Installed artifact libevdev 117.1 KiB Installed artifact Xorg_libpciaccess 26.2 KiB Installed artifact Xorg_libXext 286.6 KiB Installed artifact Qt6Svg 386.4 KiB Installed artifact Xorg_libXau 36.6 KiB Installed artifact GLFW 187.9 KiB Installed artifact Opus 960.9 KiB Installed artifact OpenSpecFun 194.9 KiB Installed artifact Wayland 390.6 KiB Installed artifact LLVMOpenMP 661.6 KiB Installed artifact Xorg_libICE 384.9 KiB Installed artifact Pango 2.1 MiB Installed artifact mtdev 79.6 KiB Installed artifact Xorg_libXrandr 97.3 KiB Installed artifact ZeroMQ 316.1 KiB Installed artifact Xorg_libXdmcp 67.7 KiB Installed artifact SymEngine 1.9 MiB Installed artifact Bzip2 503.5 KiB Installed artifact Xorg_xcb_util 39.5 KiB Installed artifact x265 1.4 MiB Installed artifact LAME 292.5 KiB Installed artifact Qt6ShaderTools 2.1 MiB Installed artifact Ghostscript 31.4 MiB Installed artifact Libmount 6.9 MiB Installed artifact XZ 1.6 MiB Installed artifact libvorbis 271.0 KiB Installed artifact Libiconv 1.9 MiB Installed artifact GettextRuntime 543.0 KiB Installed artifact Qt6Base 23.1 MiB Installed artifact Xorg_xcb_util_wm 147.9 KiB Installed artifact Xorg_libxkbfile 91.1 KiB Installed artifact Libffi 44.2 KiB Installed artifact Cairo 2.2 MiB Installed artifact FFMPEG 11.9 MiB Installed artifact Vulkan_Loader 177.3 KiB Installed artifact libass 427.8 KiB Installed artifact libpng 329.4 KiB Installed artifact Xorg_xcb_util_image 54.3 KiB Installed artifact Cubature 9.9 MiB Installed artifact Libtiff 2.3 MiB Installed artifact x264 2.1 MiB Installed artifact Xorg_xkeyboard_config 545.0 KiB Installed artifact Ogg 250.3 KiB Installed artifact libinput 1.0 MiB Installed artifact Dierckx 149.2 KiB Installed artifact libsodium 1.6 MiB Installed artifact Glib 7.7 MiB Installed artifact FreeType2 1.5 MiB Installed artifact GSL 4.6 MiB Installed artifact Qt6Declarative 23.8 MiB Updating `~/.julia/environments/v1.14/Project.toml` [830ae420] + JenaAtomicCalculator v0.3.0 Updating `~/.julia/environments/v1.14/Manifest.toml` [66dad0bd] + AliasTables v1.1.3 [4c555306] + ArrayLayouts v1.12.2 [093aae92] + BSplineKit v0.19.2 [aae01518] + BandedMatrices v1.11.0 [6e4b80f9] + BenchmarkTools v1.8.0 [d1d4a3ce] + BitFlags v0.1.9 [da1fd8a2] + CodeTracking v3.0.2 [944b1d66] + CodecZlib v0.7.8 [35d6a980] + ColorSchemes v3.31.0 [3da002f7] + ColorTypes v0.12.1 [c3611d14] + ColorVectorSpace v0.11.0 [5ae59095] + Colors v0.13.1 [bbf7d656] + CommonSubexpressions v0.3.1 [f70d9fcc] + CommonWorldInvalidations v1.0.0 [34da2185] + Compat v4.18.1 [807dbc54] + Compiler v0.1.1 [f0e56b4a] + ConcurrentUtilities v2.5.1 [8f4d0f93] + Conda v1.10.3 [5218b696] + Configurations v0.17.6 [d38c429a] + Contour v0.6.3 [667455a9] + Cubature v1.5.1 [9a962f9c] + DataAPI v1.16.0 ⌅ [864edb3b] + DataStructures v0.18.22 [e2d170a0] + DataValueInterfaces v1.0.0 [8bb1440f] + DelimitedFiles v1.9.1 [39dd38d3] + Dierckx v0.5.4 [163ba53b] + DiffResults v1.1.0 [b552c78f] + DiffRules v1.15.1 [ffbed154] + DocStringExtensions v0.9.5 [460bff9d] + ExceptionUnwrapping v0.1.11 [21656369] + ExpressionExplorer v1.1.4 [55351af7] + ExproniconLite v0.10.14 [c87230d0] + FFMPEG v0.4.5 [442a2c76] + FastGaussQuadrature v1.1.0 [5789e2e9] + FileIO v1.18.0 [1a297f60] + FillArrays v1.16.0 [53c48c17] + FixedPointNumbers v0.8.5 [1fa38f19] + Format v1.3.7 [c58ffaec] + FortranFiles v0.6.2 [f6369f11] + ForwardDiff v1.3.3 [28b8d3ca] + GR v0.73.24 [92c85e6c] + GSL v1.0.1 [d54b0c1a] + GaussQuadrature v0.5.8 [828d9ff0] + GracefulPkg v2.4.3 [42e2da0e] + Grisu v1.0.2 [cd3eb016] + HTTP v1.11.0 [f0d1745a] + HalfIntegers v1.6.0 [076d061b] + HashArrayMappedTries v0.2.0 [34004b35] + HypergeometricFunctions v0.3.28 [ac1192a8] + HypertextLiteral v1.0.0 [7073ff75] + IJulia v1.34.4 [615f187c] + IfElse v0.1.1 [18e54dd8] + IntegerMathUtils v0.1.3 [92d709cd] + IrrationalConstants v0.2.6 [82899510] + IteratorInterfaceExtensions v1.0.0 ⌅ [033835bb] + JLD2 v0.5.15 [1019f520] + JLFzf v0.1.11 [692b3bcd] + JLLWrappers v1.7.1 [682c06a0] + JSON v1.5.1 [830ae420] + JenaAtomicCalculator v0.3.0 [aa1ae85d] + JuliaInterpreter v0.10.12 [8ac3fa9e] + LRUCache v1.6.2 [b964fa9f] + LaTeXStrings v1.4.0 [23fbe1c1] + Latexify v0.16.10 [0e77f7df] + LazilyInitializedFields v1.3.0 [2ab3a3ac] + LogExpFunctions v0.3.29 [e6f89c97] + LoggingExtras v1.2.0 [6f1432cf] + LoweredCodeUtils v3.5.1 [6c6e2e6c] + MIMEs v1.1.0 [1914dd2f] + MacroTools v0.5.16 [36869731] + Malt v1.4.1 [739be429] + MbedTLS v1.1.10 [442fdcdd] + Measures v0.3.3 [e1d29d7a] + Missings v1.2.0 [99f44e22] + MsgPack v1.2.1 [77ba4419] + NaNMath v1.1.3 [4d8831e6] + OpenSSL v1.6.1 [bac558e1] + OrderedCollections v1.8.1 [69de0a69] + Parsers v2.8.4 [ccf2f8ad] + PlotThemes v3.3.0 [995b91a9] + PlotUtils v1.4.4 [91a5bcdd] + Plots v1.41.6 [c3e4b0f8] + Pluto v0.20.24 [72656b73] + PlutoDependencyExplorer v1.2.2 [91cefc8d] + PrecompileSignatures v3.0.3 [aea7be01] + PrecompileTools v1.3.3 [21216c6a] + Preferences v1.5.2 [27ebfcd6] + Primes v0.5.7 [92933f4c] + ProgressMeter v1.11.0 [43287f4e] + PtrArrays v1.4.0 [1fd47b50] + QuadGK v2.11.3 [308eb6b3] + RationalRoots v0.2.1 [3cdcf5f2] + RecipesBase v1.3.4 [01d81517] + RecipesPipeline v0.6.12 [189a3867] + Reexport v1.2.2 [2792f1a3] + RegistryInstances v0.1.0 [05181044] + RelocatableFolders v1.0.1 [ae029012] + Requires v1.3.1 [295af30f] + Revise v3.14.2 [431bcebd] + SciMLPublic v1.0.1 [7e506255] + ScopedValues v1.6.1 [6c6a2e73] + Scratch v1.3.0 [992d4aef] + Showoff v1.0.3 [777ac1f9] + SimpleBufferStream v1.2.0 [a2af1166] + SortingAlgorithms v1.2.2 [276daf66] + SpecialFunctions v2.7.2 [860ef19b] + StableRNGs v1.0.4 [aedffcd0] + Static v1.3.1 [90137ffa] + StaticArrays v1.9.18 [1e83bf80] + StaticArraysCore v1.4.4 [10745b16] + Statistics v1.11.1 [82ae8749] + StatsAPI v1.8.0 [2913bbd2] + StatsBase v0.34.10 [ec057cc2] + StructUtils v2.8.0 ⌅ [123dc426] + SymEngine v0.12.0 [3783bdb8] + TableTraits v1.0.1 [bd369af6] + Tables v1.12.1 [62fd8b95] + TensorCore v0.1.1 [3bb67fe8] + TranscodingStreams v0.11.3 [410a4b4d] + 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[e9f186c6] + Libffi_jll v3.4.7+0 [7e76a0d4] + Libglvnd_jll v1.7.1+1 [94ce4f54] + Libiconv_jll v1.18.0+0 [4b2f31a3] + Libmount_jll v2.42.0+0 [89763e89] + Libtiff_jll v4.7.2+0 [38a345b3] + Libuuid_jll v2.42.0+0 [2ce0c516] + MPC_jll v1.4.1+0 [c8ffd9c3] + MbedTLS_jll v2.28.1010+0 [e7412a2a] + Ogg_jll v1.3.6+0 [efe28fd5] + OpenSpecFun_jll v0.5.6+0 [91d4177d] + Opus_jll v1.6.1+0 [36c8627f] + Pango_jll v1.57.1+0 ⌅ [30392449] + Pixman_jll v0.44.2+0 [c0090381] + Qt6Base_jll v6.10.2+1 [629bc702] + Qt6Declarative_jll v6.10.2+1 [ce943373] + Qt6ShaderTools_jll v6.10.2+1 [6de9746b] + Qt6Svg_jll v6.10.2+0 [e99dba38] + Qt6Wayland_jll v6.10.2+1 [3428059b] + SymEngine_jll v0.12.0+0 [a44049a8] + Vulkan_Loader_jll v1.3.243+0 [a2964d1f] + Wayland_jll v1.24.0+0 [ffd25f8a] + XZ_jll v5.8.3+0 [f67eecfb] + Xorg_libICE_jll v1.1.2+0 [c834827a] + Xorg_libSM_jll v1.2.6+0 [4f6342f7] + Xorg_libX11_jll v1.8.13+0 [0c0b7dd1] + Xorg_libXau_jll v1.0.13+0 [935fb764] + Xorg_libXcursor_jll v1.2.4+0 [a3789734] + Xorg_libXdmcp_jll v1.1.6+0 [1082639a] + Xorg_libXext_jll v1.3.8+0 [d091e8ba] + Xorg_libXfixes_jll v6.0.2+0 [a51aa0fd] + Xorg_libXi_jll v1.8.3+0 [d1454406] + Xorg_libXinerama_jll v1.1.7+0 [ec84b674] + Xorg_libXrandr_jll v1.5.6+0 [ea2f1a96] + Xorg_libXrender_jll v0.9.12+0 [a65dc6b1] + Xorg_libpciaccess_jll v0.19.0+0 [c7cfdc94] + Xorg_libxcb_jll v1.17.1+0 [cc61e674] + Xorg_libxkbfile_jll v1.2.0+0 [e920d4aa] + Xorg_xcb_util_cursor_jll v0.1.6+0 [12413925] + Xorg_xcb_util_image_jll v0.4.1+0 [2def613f] + Xorg_xcb_util_jll v0.4.1+0 [975044d2] + Xorg_xcb_util_keysyms_jll v0.4.1+0 [0d47668e] + Xorg_xcb_util_renderutil_jll v0.3.10+0 [c22f9ab0] + Xorg_xcb_util_wm_jll v0.4.2+0 [35661453] + Xorg_xkbcomp_jll v1.4.7+0 [33bec58e] + Xorg_xkeyboard_config_jll v2.47.0+0 [c5fb5394] + Xorg_xtrans_jll v1.6.0+0 [8f1865be] + ZeroMQ_jll v4.3.6+0 [35ca27e7] + eudev_jll v3.2.14+0 [214eeab7] + fzf_jll v0.61.1+0 [a4ae2306] + libaom_jll v3.13.3+0 [0ac62f75] + libass_jll v0.17.4+0 [1183f4f0] + libdecor_jll v0.2.2+0 [8e53e030] + libdrm_jll v2.4.125+1 [2db6ffa8] + libevdev_jll v1.13.4+0 [f638f0a6] + libfdk_aac_jll v2.0.4+0 [36db933b] + libinput_jll v1.28.1+0 [b53b4c65] + libpng_jll v1.6.58+0 [a9144af2] + libsodium_jll v1.0.21+0 [9a156e7d] + libva_jll v2.23.0+0 [f27f6e37] + libvorbis_jll v1.3.8+0 [009596ad] + mtdev_jll v1.1.7+0 ⌅ [1270edf5] + x264_jll v10164.0.1+0 [dfaa095f] + x265_jll v4.1.0+0 [d8fb68d0] + xkbcommon_jll v1.13.0+0 [0dad84c5] + ArgTools v1.1.2 [56f22d72] + Artifacts v1.11.0 [2a0f44e3] + Base64 v1.11.0 [ade2ca70] + Dates v1.11.0 [8ba89e20] + Distributed v1.11.0 [f43a241f] + Downloads v1.7.0 [7b1f6079] + FileWatching v1.11.0 [b77e0a4c] + InteractiveUtils v1.11.0 [ac6e5ff7] + JuliaSyntaxHighlighting v1.13.0 [b27032c2] + LibCURL v1.0.0 [76f85450] + LibGit2 v1.11.0 [8f399da3] + Libdl v1.11.0 [37e2e46d] + LinearAlgebra v1.13.0 [56ddb016] + Logging v1.11.0 [d6f4376e] + Markdown v1.11.0 [a63ad114] + Mmap v1.11.0 [ca575930] + NetworkOptions v1.3.0 [44cfe95a] + Pkg v1.14.0 [de0858da] + Printf v1.11.0 [9abbd945] + Profile v1.11.0 [3fa0cd96] + REPL v1.11.0 [9a3f8284] + Random v1.11.0 [ea8e919c] + SHA v1.0.0 [9e88b42a] + Serialization v1.11.0 [6462fe0b] + Sockets v1.11.0 [2f01184e] + SparseArrays v1.13.0 [f489334b] + StyledStrings v1.13.0 [fa267f1f] + TOML v1.0.3 [a4e569a6] + Tar v1.10.0 [8dfed614] + Test v1.11.0 [cf7118a7] + UUIDs v1.11.0 [4ec0a83e] + Unicode v1.11.0 [e66e0078] + CompilerSupportLibraries_jll v1.5.1+0 [781609d7] + GMP_jll v6.3.0+2 [deac9b47] + LibCURL_jll v8.19.0+0 [e37daf67] + LibGit2_jll v1.9.2+0 [29816b5a] + LibSSH2_jll v1.11.3+1 [3a97d323] + MPFR_jll v4.2.2+0 [14a3606d] + MozillaCACerts_jll v2026.3.19 [4536629a] + OpenBLAS_jll v0.3.32+0 [05823500] + OpenLibm_jll v0.8.7+0 [458c3c95] + OpenSSL_jll v3.5.6+0 [efcefdf7] + PCRE2_jll v10.47.0+0 [bea87d4a] + SuiteSparse_jll v7.10.1+0 [83775a58] + Zlib_jll v1.3.2+0 [3161d3a3] + Zstd_jll v1.5.7+1 [8e850b90] + libblastrampoline_jll v5.15.0+0 [8e850ede] + nghttp2_jll v1.69.0+0 [3f19e933] + p7zip_jll v17.8.0+0 Info Packages marked with ⌅ have new versions available but compatibility constraints restrict them from upgrading. To see why use `status --outdated -m` Building Conda ─→ `~/.julia/scratchspaces/44cfe95a-1eb2-52ea-b672-e2afdf69b78f/8f06b0cfa4c514c7b9546756dbae91fcfbc92dc9/build.log` Building IJulia → `~/.julia/scratchspaces/44cfe95a-1eb2-52ea-b672-e2afdf69b78f/102656c4efc9737f892e1bca7e66ae374c650740/build.log` Installation completed after 100.96s ################################################################################ # Precompilation # Precompiling PkgEval dependencies... Precompiling project... 4.7 s ✓ TestEnv 1 dependency successfully precompiled in 5 seconds. 27 already precompiled. Precompiling package dependencies... Precompiling project... 4.1 s ✓ MacroTools 0.8 s ✓ Reexport 0.9 s ✓ TensorCore 2.1 s ✓ IrrationalConstants 1.0 s ✓ Measures 0.8 s ✓ DataValueInterfaces 0.9 s ✓ StatsAPI 0.9 s ✓ LazilyInitializedFields 2.5 s ✓ Format 2.4 s ✓ PrecompileSignatures 1.0 s ✓ VersionParsing 0.9 s ✓ Contour 1.3 s ✓ TranscodingStreams 0.9 s ✓ LaTeXStrings 1.2 s ✓ Statistics 1.0 s ✓ Tricks 1.0 s ✓ StaticArraysCore 1.0 s ✓ StableRNGs 0.8 s ✓ IfElse 1.0 s ✓ LRUCache 0.8 s ✓ PtrArrays 0.9 s ✓ SimpleBufferStream 1.1 s ✓ HalfIntegers 1.2 s ✓ FortranFiles 1.3 s ✓ Grisu 0.9 s ✓ DataAPI 0.9 s ✓ SciMLPublic 3.9 s ✓ ExproniconLite 0.9 s ✓ CommonWorldInvalidations 1.3 s ✓ URIs 1.0 s ✓ BitFlags 2.3 s ✓ FillArrays 0.8 s ✓ IntegerMathUtils 1.0 s ✓ RationalRoots 3.1 s ✓ MIMEs 1.4 s ✓ OrderedCollections 1.0 s ✓ HashArrayMappedTries 1.2 s ✓ DocStringExtensions 1.1 s ✓ Unzip 1.8 s ✓ Compiler 1.6 s ✓ ExpressionExplorer 0.8 s ✓ IteratorInterfaceExtensions 1.0 s ✓ DelimitedFiles 1.0 s ✓ NaNMath 1.3 s ✓ Requires 1.6 s ✓ ConcurrentUtilities 1.8 s ✓ MsgPack 2.4 s ✓ ProgressMeter 1.3 s ✓ Scratch 1.5 s ✓ LoggingExtras 3.1 s ✓ StructUtils 1.2 s ✓ Compat 1.5 s ✓ Preferences 1.9 s ✓ ExceptionUnwrapping 3.9 s ✓ UnicodeFun 3.3 s ✓ CodeTracking 1.8 s ✓ CommonSubexpressions 6.0 s ✓ RegistryInstances 1.1 s ✓ CodecZlib 1.9 s ✓ Statistics → SparseArraysExt 4.0 s ✓ FixedPointNumbers 1.4 s ✓ HypertextLiteral 0.9 s ✓ DiffResults 0.8 s ✓ LRUCache → SerializationExt 1.1 s ✓ AliasTables 1.3 s ✓ Showoff 1.0 s ✓ Missings 4.4 s ✓ OpenSSL 1.7 s ✓ FillArrays → FillArraysSparseArraysExt 1.1 s ✓ FillArrays → FillArraysStatisticsExt 1.2 s ✓ Primes 6.0 s ✓ Configurations 1.0 s ✓ ScopedValues 1.4 s ✓ LogExpFunctions 2.2 s ✓ PlutoDependencyExplorer 0.8 s ✓ TableTraits 9.3 s ✓ FileIO 1.5 s ✓ RelocatableFolders 1.3 s ✓ StructUtils → StructUtilsStaticArraysCoreExt 0.9 s ✓ Compat → CompatLinearAlgebraExt 1.3 s ✓ PrecompileTools 1.5 s ✓ JLLWrappers 12.3 s ✓ JuliaInterpreter 3.0 s ✓ ColorTypes 3.9 s ✓ WignerSymbols 2.2 s ✓ Tables 3.2 s ✓ Malt 5.4 s ✓ GracefulPkg 4.1 s ✓ DataStructures 14.6 s ✓ StaticArrays 3.6 s ✓ RecipesBase 17.8 s ✓ Parsers 8.6 s ✓ Static 48.3 s ✓ JLD2 2.4 s ✓ GSL_jll 2.2 s ✓ Libffi_jll 2.3 s ✓ Xorg_libICE_jll 2.4 s ✓ eudev_jll 2.4 s ✓ mtdev_jll 2.4 s ✓ libsodium_jll 2.3 s ✓ Bzip2_jll 2.3 s ✓ XZ_jll 2.3 s ✓ OpenSpecFun_jll 1.6 s ✓ Xorg_xtrans_jll 2.3 s ✓ Opus_jll 2.3 s ✓ Cubature_jll 2.3 s ✓ x265_jll 2.3 s ✓ fzf_jll 2.3 s ✓ libpng_jll 2.4 s ✓ Dierckx_jll 1.6 s ✓ EpollShim_jll 2.4 s ✓ Libmount_jll 2.4 s ✓ libfdk_aac_jll 2.5 s ✓ Libuuid_jll 2.4 s ✓ FriBidi_jll 2.3 s ✓ LERC_jll 2.4 s ✓ Xorg_libXau_jll 2.3 s ✓ Ogg_jll 2.4 s ✓ libevdev_jll 2.4 s ✓ LAME_jll 2.4 s ✓ Graphite2_jll 2.4 s ✓ x264_jll 2.5 s ✓ Xorg_libpciaccess_jll 2.4 s ✓ LLVMOpenMP_jll 2.4 s ✓ Libiconv_jll 2.4 s ✓ MbedTLS_jll 2.7 s ✓ libaom_jll 2.4 s ✓ Xorg_libXdmcp_jll 2.4 s ✓ Expat_jll 2.3 s ✓ JpegTurbo_jll 2.4 s ✓ MPC_jll 20.4 s ✓ LoweredCodeUtils 1.6 s ✓ ColorTypes → StyledStringsExt 8.3 s ✓ Colors 4.2 s ✓ ColorVectorSpace 1.3 s ✓ StructUtils → StructUtilsTablesExt 1.8 s ✓ SortingAlgorithms 3.1 s ✓ QuadGK 1.8 s ✓ StaticArrays → StaticArraysStatisticsExt 2.2 s ✓ FillArrays → FillArraysStaticArraysExt 8.3 s ✓ JSON 15.9 s ✓ GSL 2.4 s ✓ Xorg_libSM_jll 2.4 s ✓ ZeroMQ_jll 2.4 s ✓ FreeType2_jll 5.7 s ✓ SpecialFunctions 1.6 s ✓ Cubature 3.0 s ✓ JLFzf 1.9 s ✓ Dierckx 2.4 s ✓ libvorbis_jll 2.3 s ✓ libinput_jll 2.4 s ✓ libdrm_jll 2.3 s ✓ Pixman_jll 2.3 s ✓ GettextRuntime_jll 2.5 s ✓ MbedTLS 2.4 s ✓ Xorg_libxcb_jll 2.3 s ✓ Dbus_jll 2.4 s ✓ Wayland_jll 2.4 s ✓ Ghostscript_jll 2.3 s ✓ Libtiff_jll 2.4 s ✓ SymEngine_jll 13.4 s ✓ Revise 9.7 s ✓ ColorSchemes 5.1 s ✓ StatsBase 23.3 s ✓ ArrayLayouts 2.3 s ✓ Conda 11.4 s ✓ BenchmarkTools 6.0 s ✓ ZMQ 2.5 s ✓ Fontconfig_jll 5.4 s ✓ FastGaussQuadrature 1.9 s ✓ GaussQuadrature 2.6 s ✓ HypergeometricFunctions 1.3 s ✓ DiffRules 1.9 s ✓ ColorVectorSpace → SpecialFunctionsExt 2.4 s ✓ Glib_jll 26.5 s ✓ HTTP 2.3 s ✓ Xorg_xcb_util_jll 2.4 s ✓ Xorg_libX11_jll 7.1 s ✓ Latexify 4.0 s ✓ SymEngine 5.2 s ✓ Revise → DistributedExt 19.9 s ✓ PlotUtils 25.0 s ✓ BandedMatrices 3.9 s ✓ ArrayLayouts → ArrayLayoutsSparseArraysExt 17.5 s ✓ IJulia 7.7 s ✓ ForwardDiff 7.0 s ✓ FileIO → HTTPExt 60.1 s ✓ Pluto 2.3 s ✓ Xorg_xcb_util_renderutil_jll 2.3 s ✓ Xorg_xcb_util_wm_jll 2.4 s ✓ Xorg_xcb_util_image_jll 2.4 s ✓ Xorg_xcb_util_keysyms_jll 2.4 s ✓ Xorg_libXfixes_jll 2.4 s ✓ Xorg_libXrender_jll 2.3 s ✓ Xorg_libXext_jll 2.5 s ✓ Xorg_libxkbfile_jll 2.9 s ✓ Latexify → SparseArraysExt 2.4 s ✓ Latexify → SymEngineExt 9.6 s ✓ PlotThemes 9.8 s ✓ RecipesPipeline 5.4 s ✓ BandedMatrices → BandedMatricesSparseArraysExt 22.0 s ✓ IJulia → IJuliaReviseExt 2.1 s ✓ ForwardDiff → ForwardDiffStaticArraysExt 2.2 s ✓ Xorg_xcb_util_cursor_jll 2.2 s ✓ Xorg_libXcursor_jll 2.5 s ✓ Xorg_libXrandr_jll 2.3 s ✓ Xorg_libXinerama_jll 2.3 s ✓ Xorg_libXi_jll 2.4 s ✓ Cairo_jll 2.3 s ✓ libva_jll 2.4 s ✓ Libglvnd_jll 2.5 s ✓ Xorg_xkbcomp_jll 23.6 s ✓ BSplineKit 2.6 s ✓ HarfBuzz_jll 1.7 s ✓ Xorg_xkeyboard_config_jll 2.5 s ✓ libass_jll 2.4 s ✓ Pango_jll 2.4 s ✓ xkbcommon_jll 2.5 s ✓ FFMPEG_jll 2.4 s ✓ Vulkan_Loader_jll 2.5 s ✓ libdecor_jll 1.5 s ✓ FFMPEG 2.6 s ✓ Qt6Base_jll 2.1 s ✓ GLFW_jll 1.9 s ✓ Qt6ShaderTools_jll 2.2 s ✓ Qt6Svg_jll 2.1 s ✓ GR_jll 2.3 s ✓ Qt6Declarative_jll 2.0 s ✓ Qt6Wayland_jll 5.5 s ✓ GR 4.8 s ✓ GR → IJuliaExt 108.7 s ✓ Plots 23.6 s ✓ Plots → FileIOExt 17.9 s ✓ Plots → IJuliaExt  Welcome to JenaAtomicCalculator (JAC): A community approach to the computation of atomic structures, cascades and time evolutions [(C) Copyright by Stephan Fritzsche, Jena (2018-2025)]. 57.6 s ✓ JenaAtomicCalculator 235 dependencies successfully precompiled in 1120 seconds. 40 already precompiled. 1 dependency had output during precompilation: ┌ JenaAtomicCalculator │ Welcome to JenaAtomicCalculator (JAC): A community approach to the computation of atomic structures, cascades and time evolutions [(C) Copyright by Stephan Fritzsche, Jena (2018-2025)]. └ Precompilation completed after 1136.17s ################################################################################ # Testing # Testing JenaAtomicCalculator Status `/tmp/jl_7IOSGW/Project.toml` [093aae92] BSplineKit v0.19.2 [6e4b80f9] BenchmarkTools v1.8.0 [667455a9] Cubature v1.5.1 ⌅ [864edb3b] DataStructures v0.18.22 [8bb1440f] DelimitedFiles v1.9.1 [39dd38d3] Dierckx v0.5.4 [442a2c76] FastGaussQuadrature v1.1.0 [c58ffaec] FortranFiles v0.6.2 [92c85e6c] GSL v1.0.1 [d54b0c1a] GaussQuadrature v0.5.8 [34004b35] HypergeometricFunctions v0.3.28 [7073ff75] IJulia v1.34.4 ⌅ [033835bb] JLD2 v0.5.15 [830ae420] JenaAtomicCalculator v0.3.0 [1914dd2f] MacroTools v0.5.16 [91a5bcdd] Plots v1.41.6 [c3e4b0f8] Pluto v0.20.24 [92933f4c] ProgressMeter v1.11.0 [1fd47b50] QuadGK v2.11.3 [3cdcf5f2] RecipesBase v1.3.4 [295af30f] Revise v3.14.2 [276daf66] SpecialFunctions v2.7.2 ⌅ [123dc426] SymEngine v0.12.0 [9f57e263] WignerSymbols v2.0.0 [ade2ca70] Dates v1.11.0 [8ba89e20] Distributed v1.11.0 [37e2e46d] LinearAlgebra v1.13.0 [de0858da] Printf v1.11.0 [8dfed614] Test v1.11.0 Status `/tmp/jl_7IOSGW/Manifest.toml` [66dad0bd] AliasTables v1.1.3 [4c555306] ArrayLayouts v1.12.2 [093aae92] BSplineKit v0.19.2 [aae01518] BandedMatrices v1.11.0 [6e4b80f9] BenchmarkTools v1.8.0 [d1d4a3ce] BitFlags v0.1.9 [da1fd8a2] CodeTracking v3.0.2 [944b1d66] CodecZlib v0.7.8 [35d6a980] ColorSchemes v3.31.0 [3da002f7] ColorTypes v0.12.1 [c3611d14] ColorVectorSpace v0.11.0 [5ae59095] Colors v0.13.1 [bbf7d656] CommonSubexpressions v0.3.1 [f70d9fcc] CommonWorldInvalidations v1.0.0 [34da2185] Compat v4.18.1 [807dbc54] Compiler v0.1.1 [f0e56b4a] ConcurrentUtilities v2.5.1 [8f4d0f93] Conda v1.10.3 [5218b696] Configurations v0.17.6 [d38c429a] Contour v0.6.3 [667455a9] Cubature v1.5.1 [9a962f9c] DataAPI v1.16.0 ⌅ [864edb3b] DataStructures v0.18.22 [e2d170a0] DataValueInterfaces v1.0.0 [8bb1440f] DelimitedFiles v1.9.1 [39dd38d3] Dierckx v0.5.4 [163ba53b] DiffResults v1.1.0 [b552c78f] DiffRules v1.15.1 [ffbed154] DocStringExtensions v0.9.5 [460bff9d] 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Testing Running tests... Perform tests on the JAC program; this may take a while .... testMethod_Wigner_3j():: [OK] >> w3j-original = W3j(j, j, 0; m, -m, 0) >> Special value found for W3j(j, j, 0; m, -m, 0) = (-1)^(j - m) ((1 + 2*j)^(-1/2)) . >> wb-special value = (-1)^(j - m) ((1 + 2*j)^(-1/2)) >> Special value found for W3j(j, 0, j; -m, 0, m) = (-1)^(j - m) ((1 + 2*j)^(-1/2)) . >> wc-special value = (-1)^(j - m) ((1 + 2*j)^(-1/2)) testEvaluation_Wigner_3j_specialValues():: [OK] >> w6j-original = W6j{j1, j2, j3; 1/2, -1/2 + j3, 1/2 + j2} >> Special value found for W6j{j1, j2, j3; 1/2, -1/2 + j3, 1/2 + j2} = (-1)^(j1 + j2 + j3) (sqrt(2)*sqrt(j3*(1 + j1 + j2 - j3)*(j1 - j2 + j3)*(1 + 2*j3)*(2 + 2*j2)/(1 + 2*j2))) . >> wb-special value = (-1)^(j1 + j2 + j3) (sqrt(2)*sqrt(j3*(1 + j1 + j2 - j3)*(j1 - j2 + j3)*(1 + 2*j3)*(2 + 2*j2)/(1 + 2*j2))) >> Special value found for W6j{j1, j3, j2; 1/2, 1/2 + j2, -1/2 + j3} = (-1)^(j1 + j2 + j3) (sqrt(2)*sqrt(j3*(1 + j1 + j2 - j3)*(j1 - j2 + j3)*(1 + 2*j3)*(2 + 2*j2)/(1 + 2*j2))) . >> wc-special value = (-1)^(j1 + j2 + j3) (sqrt(2)*sqrt(j3*(1 + j1 + j2 - j3)*(j1 - j2 + j3)*(1 + 2*j3)*(2 + 2*j2)/(1 + 2*j2))) testEvaluation_Wigner_6j_specialValues():: [OK] >> w9j-original = W9j{a, b, c; d, ee, f; g, h, 0} >> Special value found for W9j{b, a, c; ee, d, f; h, g, 0} = (-1)^(a + c + d + f) (((1 + 2*c)*(1 + 2*h))^(-1/2)) W6j{b, a, c; d, ee, h} . >> wb-special value = (-1)^(2*a + b + 2*c + 2*d + ee + 2*f + g + h) (((1 + 2*c)*(1 + 2*h))^(-1/2)) W6j{b, a, c; d, ee, h} >> Special value found for W9j{c, b, a; f, ee, d; 0, h, g} = (-1)^(a + c + d + f) (((1 + 2*c)*(1 + 2*h))^(-1/2)) W6j{b, a, c; d, ee, h} . >> wc-special value = (-1)^(2*a + b + 2*c + 2*d + ee + 2*f + g + h) (((1 + 2*c)*(1 + 2*h))^(-1/2)) W6j{b, a, c; d, ee, h} testEvaluation_Wigner_9j_specialValues():: [OK] >> rex-original = Sum_[SymEngine.Basic[m]] (-1)^(-m) W3j(j, j, J; m, -m, M) >> Apply sum rule for one W3j -- Sum(m) (-1)^m ... >> rex-evaluated = (-1)^(-j) (1 + 2*j) delta(J, 0) delta(M, 0) >> rex-original = Sum_[SymEngine.Basic[X]] (1 + 2*X) W6j{a, b, X; a, b, c} >> Apply sum rule for one W6j -- Sum(X) ... >> rex-evaluated = (-1)^(2*c) delta (a, b, c) >> rex-original = Sum_[SymEngine.Basic[X]] (-1)^(X) (1 + 2*X) W6j{a, b, X; b, a, c} >> Apply sum rule for one W6j -- Sum(X) (-1)^X ... >> rex-evaluated = (-1)^(-a - b) (sqrt((1 + 2*b)*(1 + 2*a))) delta(c, 0) >> rex-original = Sum_[SymEngine.Basic[X]] (1 + 2*X) W9j{a, b, ee; c, d, f; ee, f, X} >> Apply sum rule for one W9j -- Sum(X) .... >> rex-evaluated = ((1 + 2*b)^(-1)) delta(b, c) delta (a, b, ee) delta (b, d, f) >> rex-original = Sum_[SymEngine.Basic[X]] (-1)^(-X) (1 + 2*X) W9j{a, b, ee; c, d, f; f, ee, X} >> Apply sum rule for one W9j -- Sum(-X) (-1)^-X .... >> rex-evaluated = (-1)^(-2*a - b - c) ((1 + 2*a)^(-1)) delta(a, d) delta (a, b, ee) delta (a, c, f) testEvaluation_sumRulesForOneWnj():: [OK] >> rex-original = Sum_[SymEngine.Basic[j3, m3]] (1 + 2*j3) W3j(j1, j2, j3; m1, m2, m3) W3j(j1, j2, j3; m1p, m2p, m3) >> Apply sum rule for two W3j -- Sum(j3,m3) ... >> rex-evaluated = delta(m1p, m1) delta(m2p, m2) >> rex-original = Sum_[SymEngine.Basic[m1, m2]] W3j(j1, j2, j3; m1, m2, m3) W3j(j1, j2, j3p; m1, m2, m3p) >> Apply sum rule for two W3j -- Sum(m1,m2) ... >> rex-evaluated = ((1 + 2*j3p)^(-1)) delta(j3p, j3) delta(m3p, m3) delta (j1, j2, j3p) >> rex-original = Sum_[SymEngine.Basic[np, nq]] (-1)^(-np - nq) W3j(a, p, q; -na, np, nq) W3j(p, q, ap; -np, -nq, nap) >> Apply sum rule for two W3j -- Sum(np,nq) (-1)^(-np-nq) ... >>> two W3j -- Sum(np,nq) (-1)^(-np-nq):::: phase = ap + 2*na - nap - p - q without = SymEngine.Basic[na, nap] zeroTerms = SymEngine.Basic[2*a + 2*p + 2*q, -na + np + nq, 2*a - 2*na, 2*np + 2*p, 2*nq + 2*q, 2*ap + 2*p + 2*q, nap - np - nq, -2*np + 2*p, -2*nq + 2*q, 2*ap + 2*nap] >>> two W3j -- Sum(np,nq) (-1)^(-np-nq): newPhase = ap - nap - 3*p - 3*q now shorter !!!! >> rex-evaluated = (-1)^(ap - nap + p + q) ((1 + 2*ap)^(-1)) delta(ap, a) delta(-nap, -na) delta (ap, p, q) testEvaluation_sumRulesForTwoWnj():: [OK] >> Special value found for W3j(j, j, 0; m, -m, 0) = (-1)^(j - m) ((1 + 2*j)^(-1/2)) . >> Special value found for W3j(j, -1/2 + j, 1/2; m, -1/2 - m, 1/2) = (-1)^(-1 + j - m) ((1/2)*sqrt(2)*sqrt((j - m)/(j*(1 + 2*j)))) . >> Special value found for W3j(1 + j, j, 1; m, -1 - m, 1) = (-1)^(-1 + j - m) (sqrt((1 + j - m)*(j - m)*(1 + 2*j)*(2 + 2*j)/(3 + 2*j))) . >> Special value found for W3j(1 + j, j, 1; m, -m, 0) = (-1)^(-1 + j - m) (sqrt(2)*sqrt((1 + j - m)*(1 + j + m)*(1 + 2*j)*(2 + 2*j)/(3 + 2*j))) . >> Special value found for W3j(j, j, 1; m, -1 - m, 1) = (-1)^(j - m) (2*sqrt(j*(1 + j + m)*(j - m)*(1 + 2*j)/(2 + 2*j))) . >> Special value found for W3j(j, j, 1; m, -m, 0) = (-1)^(j - m) (sqrt(2)*m/sqrt(j*(1 + 2*j)*(2 + 2*j))) . >> Special value found for W3j(3/2 + j, j, 3/2; m, -3/2 - m, 3/2) = (-1)^(1/2 + j - m) (sqrt((-3/2 + j - m)*(1/2 + j - m)*(-1/2 + j - m)/((1 + 2*j)*(2 + 2*j)*(3 + 2*j)*(4 + 2*j)))) . >> Special value found for W3j(3/2 + j, j, 3/2; m, -1/2 - m, 1/2) = (-1)^(1/2 + j - m) (sqrt(3)*sqrt((1/2 + j - m)*(3/2 + j + m)*(3/2 + j - m)/((1 + 2*j)*(2 + 2*j)*(3 + 2*j)*(4 + 2*j)))) . >> Special value found for W3j(1/2 + j, j, 3/2; m, -1/2 - m, 1/2) = (-1)^(-1/2 + j - m) ((1/2)*sqrt(2)*(3/2 + j + 3*m)*sqrt((1/2 + j - m)/(j*(1 + 2*j)*(2 + 2*j)*(3 + 2*j)))) . >> Special value found for W3j(2 + j, j, 2; m, -2 - m, 2) = (-1)^(j - m) (sqrt((1 + j - m)*(-1 + j - m)*(j - m)*(-2 + j - m)/((1 + 2*j)*(2 + 2*j)*(3 + 2*j)*(4 + 2*j)*(5 + 2*j)))) . >> Special value found for W3j(2 + j, j, 2; m, -m, 0) = (-1)^(j - m) (sqrt(6)*sqrt((1 + j - m)*(2 + j - m)*(1 + j + m)*(2 + j + m)/((1 + 2*j)*(2 + 2*j)*(3 + 2*j)*(4 + 2*j)*(5 + 2*j)))) . >> Special value found for W3j(1 + j, j, 2; m, -2 - m, 2) = (-1)^(1 + j - m) (sqrt(2)*sqrt((1 + j - m)*(2 + j - m)*(-1 + j - m)*(j - m)/(j*(1 + 2*j)*(2 + 2*j)*(3 + 2*j)*(4 + 2*j)))) . >> Special value found for W3j(1 + j, j, 2; m, -1 - m, 1) = (-1)^(1 + j - m) (sqrt(2)*(2 + j + 2*m)*sqrt((-1 + j - m)*(j - m)/(j*(1 + 2*j)*(2 + 2*j)*(3 + 2*j)*(4 + 2*j)))) . >> Special value found for W3j(1 + j, j, 2; m, -m, 0) = (-1)^(1 + j - m) (2*sqrt(3)*m*sqrt((1 + j - m)^2/(j*(1 + 2*j)*(2 + 2*j)*(3 + 2*j)*(4 + 2*j)))) . >> Special value found for W3j(j, j, 2; m, -m, 0) = (-1)^(j - m) (sqrt(2)*(-j*(1 + j) + 3*m^2)/sqrt(j*(-1 + 2*j)*(1 + 2*j)*(2 + 2*j)*(3 + 2*j))) . >> Special value found for W6j{j1, j2, j3; l1, l2, 0} = (-1)^(j1 + j2 + j3) (((1 + 2*j1)*(1 + 2*j2))^(-1/2)) delta(j1, l2) delta(j2, l1) delta (j1, j2, j3) . >> Special value found for W6j{j1, j2, j3; 1/2, -1/2 + j3, 1/2 + j2} = (-1)^(j1 + j2 + j3) (sqrt(2)*sqrt(j3*(1 + j1 + j2 - j3)*(j1 - j2 + j3)*(1 + 2*j3)*(2 + 2*j2)/(1 + 2*j2))) . >> Special value found for W6j{j1, j2, j3; 1/2, 1/2 + j3, 1/2 + j2} = (-1)^(1 + j1 + j2 + j3) (sqrt((1 - j1 + j2 + j3)*(2 + j1 + j2 + j3)*(2 + 2*j3)*(1 + 2*j3)*(2 + 2*j2)/(1 + 2*j2))) . >> Special value found for W6j{j1, j2, j3; 1, -1 + j3, -1 + j2} = (-1)^(j1 + j2 + j3) (2*sqrt(j2*j3*(j1 + j2 + j3)*(-j1 + j2 + j3)*(-1 - j1 + j2 + j3)*(1 + j1 + j2 + j3)*(1 + 2*j3)*(-1 + 2*j3)*(1 + 2*j2)/(-1 + 2*j2))) . >> Special value found for W6j{j1, j2, j3; 1, -1 + j3, j2} = (-1)^(j1 + j2 + j3) (sqrt(2)*sqrt(j2*j3*(1 + j1 + j2 - j3)*(j1 - j2 + j3)*(-j1 + j2 + j3)*(1 + j1 + j2 + j3)*(1 + 2*j3)*(-1 + 2*j3)*(2 + 2*j2)*(1 + 2*j2))) . >> Special value found for W6j{j1, j2, j3; 1, -1 + j3, 1 + j2} = (-1)^(j1 + j2 + j3) (sqrt(2)*sqrt(j3*(2 + j1 + j2 - j3)*(1 + j1 + j2 - j3)*(j1 - j2 + j3)*(-1 + j1 - j2 + j3)*(1 + 2*j3)*(-1 + 2*j3)*(3 + 2*j2)*(2 + 2*j2)/(1 + 2*j2))) . >> Special value found for W6j{j1, j2, j3; 1, j3, j2} = (-1)^(1 + j1 + j2 + j3) ((-j1*(1 + j1) + j2*(1 + j2) + j3*(1 + j3))/sqrt(j2*j3*(2 + 2*j3)*(1 + 2*j3)*(2 + 2*j2)*(1 + 2*j2))) . >> Special value found for W6j{a, b, c; 3/2, -3/2 + c, -3/2 + b} = (-1)^(a + b + c) (2*sqrt(b*c*(1 + 2*b)*(-1 + 2*b)*(1 + 2*c)*(-1 + 2*c)*(-2 + 2*c)*(-1 + a + b + c)*(a + b + c)*(1 + a + b + c)*(-2 - a + b + c)*(-1 - a + b + c)*(-a + b + c)/(-2 + 2*b))) . >> Special value found for W6j{a, b, c; 3/2, -3/2 + c, -1/2 + b} = (-1)^(a + b + c) ((1/2)*sqrt(3)*sqrt((a - b + c)*(a + b + c)*(1 + a + b + c)*(1 + a + b - c)*(-1 - a + b + c)*(-a + b + c)/(b*c*(1 + 2*b)*(2 + 2*b)*(-1 + 2*b)*(1 + 2*c)*(-1 + 2*c)*(-2 + 2*c)))) . >> Special value found for W6j{a, b, c; 3/2, -3/2 + c, 1/2 + b} = (-1)^(a + b + c) ((1/2)*sqrt(3)*sqrt((-1 + a - b + c)*(a - b + c)*(1 + a + b + c)*(1 + a + b - c)*(2 + a + b - c)*(-a + b + c)/(b*c*(1 + 2*b)*(2 + 2*b)*(3 + 2*b)*(1 + 2*c)*(-1 + 2*c)*(-2 + 2*c)))) . >> Special value found for W6j{a, b, c; 3/2, -3/2 + c, 3/2 + b} = (-1)^(a + b + c) ((1/2)*sqrt(2)*sqrt((-2 + a - b + c)*(-1 + a - b + c)*(a - b + c)*(3 + a + b - c)*(1 + a + b - c)*(2 + a + b - c)/(c*(1 + 2*b)*(2 + 2*b)*(3 + 2*b)*(4 + 2*b)*(1 + 2*c)*(-1 + 2*c)*(-2 + 2*c)))) . >> Special value found for W6j{a, b, c; 3/2, -1/2 + c, -1/2 + b} = (-1)^(a + b + c) ((1/2)*(2*(a - b + c)*(a + b - c) - (2 + a + b + c)*(-1 - a + b + c))*sqrt((1 + a + b + c)*(-a + b + c)/(b*c*(1 + 2*b)*(2 + 2*b)*(-1 + 2*b)*(1 + 2*c)^2*(-1 + 2*c)))) . >> Special value found for W6j{a, b, c; 3/2, -1/2 + c, 1/2 + b} = (-1)^(a + b + c) ((1/2)*((-1 + a - b + c)*(a + b - c) - 2*(2 + a + b + c)*(-a + b + c))*sqrt((a - b + c)*(1 + a + b - c)/(b*c*(1 + 2*b)*(2 + 2*b)*(3 + 2*b)*(1 + 2*c)*(2 + 2*c)*(-1 + 2*c)))) . >> Special value found for W6j{a, b, c; 2, -2 + c, -2 + b} = (-1)^(a + b + c) ((1/2)*sqrt((-1 + a + b + c)*(a + b + c)*(-2 + a + b + c)*(-3 - a + b + c)*(-2 - a + b + c)*(-1 - a + b + c)*(-a + b + c)/(b*c*(-3 + 2*b)*(-2 + 2*b)*(1 + 2*b)*(-1 + 2*b)*(1 + 2*c)*(-1 + 2*c)*(-3 + 2*c)*(-2 + 2*c)))) . >> Special value found for W6j{a, b, c; 2, -2 + c, -1 + b} = (-1)^(a + b + c) (2 + (1/2)*sqrt((a - b + c)*(-1 + a + b + c)*(a + b + c)*(1 + a + b + c)*(-2 - a + b + c)*(1 + a + b - c)*(-1 - a + b + c)*(-a + b + c)/(b*c*(-2 + 2*b)*(1 + 2*b)*(2 + 2*b)*(-1 + 2*b)*(1 + 2*c)*(-1 + 2*c)*(-3 + 2*c)*(-2 + 2*c)))) . >> Special value found for W6j{a, b, c; 2, -2 + c, b} = (-1)^(a + b + c) ((1/2)*sqrt(2)*sqrt(3)*sqrt((-1 + a - b + c)*(a - b + c)*(a + b + c)*(1 + a + b + c)*(1 + a + b - c)*(2 + a + b - c)*(-1 - a + b + c)*(-a + b + c)/(b*c*(1 + 2*b)*(2 + 2*b)*(-1 + 2*b)*(3 + 2*b)*(1 + 2*c)*(-1 + 2*c)*(-3 + 2*c)*(-2 + 2*c)))) . >> Special value found for W6j{a, b, c; 2, -2 + c, 1 + b} = (-1)^(a + b + c) (sqrt((-2 + a - b + c)*(-1 + a - b + c)*(a - b + c)*(1 + a + b + c)*(3 + a + b - c)*(1 + a + b - c)*(2 + a + b - c)*(-a + b + c)/(b*c*(1 + 2*b)*(2 + 2*b)*(3 + 2*b)*(4 + 2*b)*(1 + 2*c)*(-1 + 2*c)*(-3 + 2*c)*(-2 + 2*c)))) . >> Special value found for W6j{a, b, c; 2, -2 + c, 2 + b} = (-1)^(a + b + c) ((1/2)*sqrt(2)*sqrt((-3 + a - b + c)*(-2 + a - b + c)*(-1 + a - b + c)*(a - b + c)*(3 + a + b - c)*(4 + a + b - c)*(1 + a + b - c)*(2 + a + b - c)/(c*(1 + 2*b)*(2 + 2*b)*(5 + 2*b)*(3 + 2*b)*(4 + 2*b)*(1 + 2*c)*(-1 + 2*c)*(-3 + 2*c)*(-2 + 2*c)))) . >> Special value found for W6j{a, b, c; 2, -1 + c, -1 + b} = (-1)^(a + b + c) (2*((a + b)*(1 + a - b) - (1 - b + c)*(-1 + c))*sqrt((a + b + c)*(1 + a + b + c)*(-1 - a + b + c)*(-a + b + c)/(b*c*(-2 + 2*b)*(1 + 2*b)*(2 + 2*b)*(-1 + 2*b)*(1 + 2*c)*(2 + 2*c)*(-1 + 2*c)*(-2 + 2*c)))) . >> Special value found for W6j{a, b, c; 2, -1 + c, b} = (-1)^(a + b + c) (sqrt(2)*sqrt(3)*(1 + (1 + a + b)*(a - b) - c^2)*sqrt((a - b + c)*(1 + a + b + c)*(1 + a + b - c)*(-a + b + c)/(b*c*(1 + 2*b)*(2 + 2*b)*(-1 + 2*b)*(3 + 2*b)*(1 + 2*c)*(2 + 2*c)*(-1 + 2*c)*(-2 + 2*c)))) . >> Special value found for W6j{a, b, c; 2, -1 + c, 1 + b} = (-1)^(a + b + c) (2*((2 + a + b)*(-1 + a - b) - (2 + b + c)*(-1 + c))*sqrt((-1 + a - b + c)*(a - b + c)*(1 + a + b - c)*(2 + a + b - c)/(b*c*(1 + 2*b)*(2 + 2*b)*(3 + 2*b)*(4 + 2*b)*(1 + 2*c)*(2 + 2*c)*(-1 + 2*c)*(-2 + 2*c)))) . >> Special value found for W6j{a, b, c; 2, c, b} = (-1)^(a + b + c) ((3*(-a*(1 + a) + b*(1 + b) + c*(1 + c))*(-1 - a*(1 + a) + b*(1 + b) + c*(1 + c)) - 4*b*c*(1 + b)*(1 + c))*sqrt(1/(b*c*(3 + 2*c)*(1 + 2*b)*(2 + 2*b)*(-1 + 2*b)*(3 + 2*b)*(1 + 2*c)*(2 + 2*c)*(-1 + 2*c)))) . >> Special value found for W6j{j1, j2, j3; l1, l2, 0} = (-1)^(j1 + j2 + j3) (((1 + 2*j1)*(1 + 2*j2))^(-1/2)) delta(j1, l2) delta(j2, l1) delta (j1, j2, j3) . >> Special value found for W6j{j1, j2, j3; 1/2, -1/2 + j3, 1/2 + j2} = (-1)^(j1 + j2 + j3) (sqrt(2)*sqrt(j3*(1 + j1 + j2 - j3)*(j1 - j2 + j3)*(1 + 2*j3)*(2 + 2*j2)/(1 + 2*j2))) . >> Apply sum rule for one W3j -- Sum(m) (-1)^m ... >> Apply sum rule for one W6j -- Sum(X) ... >> Apply sum rule for one W6j -- Sum(X) (-1)^X ... >> Apply sum rule for one W9j -- Sum(X) .... >> Apply sum rule for one W9j -- Sum(-X) (-1)^-X .... >> Apply sum rule for two W3j -- Sum(j3,m3) ... >> Apply sum rule for two W3j -- Sum(m1,m2) ... >> Apply sum rule for two W3j -- Sum(np,nq) (-1)^(-np-nq) ... >>> two W3j -- Sum(np,nq) (-1)^(-np-nq):::: phase = ap + 2*na - nap - p - q without = SymEngine.Basic[na, nap] zeroTerms = SymEngine.Basic[2*a + 2*p + 2*q, -na + np + nq, 2*a - 2*na, 2*np + 2*p, 2*nq + 2*q, 2*ap + 2*p + 2*q, nap - np - nq, -2*np + 2*p, -2*nq + 2*q, 2*ap + 2*nap] >>> two W3j -- Sum(np,nq) (-1)^(-np-nq): newPhase = ap - nap - 3*p - 3*q now shorter !!!! >> Apply sum rule for two W6j -- Sum(X,Y,Z) [X,Y,Z] ... >> Apply sum rule for two W6j -- Sum(X) (-1)^X [X] (1)^X ... >> Apply sum rule for two W6j -- Sum(X) [X] ... >> Apply sum rule for one W6j & one W9j -- Sum(X,Y,Z) [X,Y,Z] ... >> Apply sum rule for one W6j & one W9j -- Sum(X) [X] ... >> Apply sum rule for one W6j & one W9j -- Sum(X) [X] (-1)^X ... >> Apply sum rule for two W9j -- Sum(X,Y,Z) [X,Y,Z] ... >> Apply sum rule for two W9j -- Sum(X,Y) [X,Y] ... >> Apply sum rule for two W9j -- Sum(X,Y) (-1)^Y [X,Y] ... >> Apply sum rule for three W3j -- Sum(m4,m5,m6) ... >> Apply sum rule for two W3j & one W6j -- Sum(l3, n3) ... >> Apply sum rule for three W6j -- Sum(X) (-1)^R+X ... [ Info: sumRulesForThreeW6j: Proper set of three W6js found. >> Apply sum rule for three W6j -- Sum(X) (-1)^2X [X] ... wa = W9j{c, b, p; f, r, a; q, ee, d} >> Apply sum rule for two W6j -- Sum(X) [X] ... >> Apply sum rule for two W6j -- Sum(X) (-1)^X [X] (1)^X ... >> Apply sum rule for two W6j -- Sum(X) [X] ... [ Info: sumRulesForTwoW6jOneW9j: Proper set of Wnjs found. >> Apply sum rule for two W6j & one W9j -- Sum(X,Y,Z) [X,Y,Z] ... [ Info: sumRulesForTwoW6jOneW9j: Proper set of Wnjs found. >> Apply sum rule for two W6j & one W9j -- Sum(X,Y) (-1)X+Y [X,Y] ... [ Info: sumRulesForTwoW6jOneW9j: Proper set of Wnjs found. >> Apply sum rule for two W6j & one W9j -- Sum(X,Y) [X,Y] ... (1st) [ Info: sumRulesForTwoW6jOneW9j: Proper set of Wnjs found. >> Apply sum rule for two W6j & one W9j -- Sum(X,Y) [X,Y] ... (2nd) [ Info: sumRulesForTwoW6jOneW9j: Proper set of Wnjs found. >> Apply sum rule for one W6j & two W9j -- Sum(X,Y) [X,Y] ... [ Info: sumRulesForOneW6jTwoW9j: Proper set of Wnjs found. >> Apply sum rule for one W6j & two W9j -- Sum(X,Y,Z) (-1)^X+Y [X,Y,Z] ... [ Info: sumRulesForOneW6jTwoW9j: Proper set of Wnjs found. [ Info: sumRulesForOneW6jTwoW9j: Proper set of Wnjs found. >> Apply sum rule for one W6j & two W9j -- Sum(X,Y,Z) (-1)^X [X,Y,Z] ... >> Apply sum rule for three W9j -- Sum(X,Y,Z) [X,Y,Z] ... [ Info: sumRulesForFourW3j: Proper set of four W3js found. >> Apply sum rule for four W3j -- Sum(m1,m2,m3,m4) (-1)^-m1-m2-m3-m4 ... >> Apply sum rule for four W6j -- Sum(X) [X] (-1)^R-X ... >> Apply sum rule for four W6j -- Sum(X) [X] ... >> Apply sum rule for four W6j -- Sum(X,Y,Z) [X,Y,Z] (-1)^X+Y+Z ... >> Apply sum rule for four W6j -- Sum(X,Y) [X,Y] ... >> Apply sum rule for four W6j -- Sum(X,Y) [X,Y] (-1)^X+Y ... [ Info: sumRulesForTwoW6jOneW9j: Proper set of Wnjs found. >> Apply sum rule for two W6j & one W9j -- Sum(X,Y) [X,Y] ... (2nd) >> Apply sum rule for two W6j -- Sum(X) [X] ... [ Info: sumRulesForThreeW6j: Proper set of three W6js found. >> Apply sum rule for three W6j -- Sum(X) (-1)^2X [X] ... wa = Sum_[SymEngine.Basic[X, Y]] ((1 + 2*Y)*(1 + 2*X)) W9j{a, b, X; c, d, Y; eep, fp, g} W9j{X, Y, g; a, c, ee; b, d, f} >> Apply sum rule for two W9j -- Sum(X,Y) [X,Y] ... >> Apply sum rule for three W6j & one W9j -- Sum(X,Y) [X,Y] (-1)^Y ... >> Apply sum rule for two W6j & two W9j -- Sum(X,Y,Z) [X,Y,Z] (-1)^Z ... >> Apply sum rule for two W6j & two W9j -- Sum(X,Y,Z) [X,Y,Z] (-1)^2Y-Z ... >> Apply sum rule for two W6j & two W9j -- Sum(X,Y,Z) [X,Y,Z] (-1)^Y ... >> Apply sum rule for two W6j & two W9j -- Sum(X,Y) [X,Y] (-1)^X+Y ... >> Apply sum rule for one W6j & three W9j -- Sum(X,Y,Z) [X,Y,Z] ... (Re-) Define the standard grid with 392 grid points. >>> include Configuration: 1s_1/2^2 2s_1/2^2 2p_1/2^0 2p_3/2^4 >>> include Configuration: 1s_1/2^2 2s_1/2^2 2p_1/2^1 2p_3/2^3 >>> include Configuration: 1s_1/2^2 2s_1/2^2 2p_1/2^2 2p_3/2^2 (Re-) Define a new standard subshell list. > Start SCF process with hydrogenic orbitals. >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: JAC representations: Error During Test at /home/pkgeval/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:25 Test threw exception Expression: TestFrames.testRepresentation_MeanFieldBasis_CiExpansion() ArgumentError: invalid argument #11 to LAPACK call Stacktrace: [1] getindex(A::Vector{Float64}, i::Int64) @ Base /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/lapack.jl:29 [inlined] [2] sygvd!(itype::Int64, jobz::Char, uplo::Char, A::Matrix{Float64}, B::Matrix{Float64}) @ LinearAlgebra.LAPACK /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/lapack.jl:5511 [3] #eigen!#275 @ /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:254 [inlined] [4] eigen! @ /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:253 [inlined] [5] LinearAlgebra.Symmetric(A::Matrix{Float64}, uplo::Symbol) @ LinearAlgebra /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:250 [inlined] [6] LinearAlgebra.Symmetric(A::Matrix{Float64}) @ LinearAlgebra /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:248 [inlined] [7] diagonalize(sa::String, matrixA::Matrix{Float64}, matrixB::Matrix{Float64}) @ JenaAtomicCalculator.BasicsAZ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BascisAZ-inc-AG.jl:499 [8] generateOrbitals(subshells::Vector{Subshell}, pot::JenaAtomicCalculator.Radial.Potential, nm::Model, primitives::JenaAtomicCalculator.BsplinesN.Primitives; printout::Bool) @ JenaAtomicCalculator.BsplinesN ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:199 [9] generateOrbitals @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:179 [inlined] [10] _iterate_abstractarray(A::Vector{Configuration}, state::Int64) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:168 [inlined] [11] iterate(A::Vector{Configuration}, state::Int64) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:160 [inlined] [12] initializeBasis(configs::Vector{Configuration}, nuclearModel::Model, primitives::JenaAtomicCalculator.BsplinesN.Primitives, settings::AsfSettings; levelSymmetries::Vector{LevelSymmetry}, printout::Bool) @ JenaAtomicCalculator.SelfConsistent ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:274 [13] vect(::Type{JenaAtomicCalculator.Basics.DFSField}, ::Type{JenaAtomicCalculator.Basics.DFSwCPField}, ::Type{JenaAtomicCalculator.Basics.HSField}) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:223 [inlined] [14] performSCF(configs::Vector{Configuration}, nm::Model, grid::JenaAtomicCalculator.Radial.Grid, settings::AsfSettings; levelSymmetries::Vector{LevelSymmetry}, printout::Bool) @ JenaAtomicCalculator.SelfConsistent ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:312 [15] getproperty(x::MeanFieldBasis, f::Symbol) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:306 [inlined] [16] generate(repType::MeanFieldBasis, rep::Representation; output::Bool) @ JenaAtomicCalculator.BasicsAZ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BascisAZ-inc-generate.jl:42 [17] generate @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BascisAZ-inc-generate.jl:35 [inlined] [18] #generate#34 @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BascisAZ-inc-generate.jl:16 [inlined] [19] testRepresentation_MeanFieldBasis_CiExpansion(; short::Bool) @ JenaAtomicCalculator.TestFrames ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-TestFrames.jl:990 [20] testRepresentation_MeanFieldBasis_CiExpansion() @ JenaAtomicCalculator.TestFrames ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-TestFrames.jl:981 [21] top-level scope @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:5 [22] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2246 [inlined] [23] macro expansion @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:25 [inlined] [24] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2246 [inlined] [25] macro expansion @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:25 [inlined] [26] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:781 [inlined] [27] macro expansion @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:25 [inlined] (Re-) Define the standard grid with 392 grid points. >>> include Configuration: 1s_1/2^2 2s_1/2^2 (Re-) Define a new standard subshell list. > Start SCF process with hydrogenic orbitals. >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: JAC representations: Error During Test at /home/pkgeval/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:26 Test threw exception Expression: TestFrames.testRepresentation_RasExpansion() ArgumentError: invalid argument #11 to LAPACK call Stacktrace: [1] getindex(A::Vector{Float64}, i::Int64) @ Base /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/lapack.jl:29 [inlined] [2] sygvd!(itype::Int64, jobz::Char, uplo::Char, A::Matrix{Float64}, B::Matrix{Float64}) @ LinearAlgebra.LAPACK /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/lapack.jl:5511 [3] #eigen!#275 @ /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:254 [inlined] [4] eigen! @ /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:253 [inlined] [5] LinearAlgebra.Symmetric(A::Matrix{Float64}, uplo::Symbol) @ LinearAlgebra /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:250 [inlined] [6] LinearAlgebra.Symmetric(A::Matrix{Float64}) @ LinearAlgebra /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:248 [inlined] [7] diagonalize(sa::String, matrixA::Matrix{Float64}, matrixB::Matrix{Float64}) @ JenaAtomicCalculator.BasicsAZ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BascisAZ-inc-AG.jl:499 [8] generateOrbitals(subshells::Vector{Subshell}, pot::JenaAtomicCalculator.Radial.Potential, nm::Model, primitives::JenaAtomicCalculator.BsplinesN.Primitives; printout::Bool) @ JenaAtomicCalculator.BsplinesN ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:199 [9] generateOrbitals @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:179 [inlined] [10] _iterate_abstractarray(A::Vector{Configuration}, state::Int64) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:168 [inlined] [11] iterate(A::Vector{Configuration}, state::Int64) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:160 [inlined] [12] initializeBasis(configs::Vector{Configuration}, nuclearModel::Model, primitives::JenaAtomicCalculator.BsplinesN.Primitives, settings::AsfSettings; levelSymmetries::Vector{LevelSymmetry}, printout::Bool) @ JenaAtomicCalculator.SelfConsistent ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:274 [13] vect(::Type{JenaAtomicCalculator.Basics.DFSField}, ::Type{JenaAtomicCalculator.Basics.DFSwCPField}, ::Type{JenaAtomicCalculator.Basics.HSField}) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:223 [inlined] [14] performSCF(configs::Vector{Configuration}, nm::Model, grid::JenaAtomicCalculator.Radial.Grid, settings::AsfSettings; levelSymmetries::Vector{LevelSymmetry}, printout::Bool) @ JenaAtomicCalculator.SelfConsistent ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:312 [15] AsfSettings() @ JenaAtomicCalculator.ManyElectron ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:306 [inlined] [16] generate(repType::RasExpansion, rep::Representation; output::Bool) @ JenaAtomicCalculator.BasicsAZ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BascisAZ-inc-generate.jl:203 [17] generate @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BascisAZ-inc-generate.jl:197 [inlined] [18] length(a::Vector{Shell}) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BascisAZ-inc-generate.jl:16 [inlined] [19] append!(a::Vector{Shell}, items::Vector{Shell}) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BascisAZ-inc-generate.jl:15 [inlined] [20] testRepresentation_RasExpansion(; short::Bool) @ JenaAtomicCalculator.TestFrames ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-TestFrames.jl:1049 [21] testRepresentation_RasExpansion() @ JenaAtomicCalculator.TestFrames ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-TestFrames.jl:1026 [22] top-level scope @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:5 [23] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2246 [inlined] [24] macro expansion @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:25 [inlined] [25] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2246 [inlined] [26] macro expansion @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:26 [inlined] [27] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:781 [inlined] [28] macro expansion @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:26 [inlined] (Re-) Define the standard grid with 392 grid points. >>> include Configuration: 1s_1/2^2 2s_1/2^1 (Re-) Define a new standard subshell list. > Start SCF process with hydrogenic orbitals. >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: JAC representations: Error During Test at /home/pkgeval/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:27 Test threw exception Expression: TestFrames.testRepresentation_GreenExpansion() ArgumentError: invalid argument #11 to LAPACK call Stacktrace: [1] getindex(A::Vector{Float64}, i::Int64) @ Base /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/lapack.jl:29 [inlined] [2] sygvd!(itype::Int64, jobz::Char, uplo::Char, A::Matrix{Float64}, B::Matrix{Float64}) @ LinearAlgebra.LAPACK /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/lapack.jl:5511 [3] #eigen!#275 @ /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:254 [inlined] [4] eigen! @ /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:253 [inlined] [5] LinearAlgebra.Symmetric(A::Matrix{Float64}, uplo::Symbol) @ LinearAlgebra /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:250 [inlined] [6] LinearAlgebra.Symmetric(A::Matrix{Float64}) @ LinearAlgebra /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:248 [inlined] [7] diagonalize(sa::String, matrixA::Matrix{Float64}, matrixB::Matrix{Float64}) @ JenaAtomicCalculator.BasicsAZ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BascisAZ-inc-AG.jl:499 [8] generateOrbitals(subshells::Vector{Subshell}, pot::JenaAtomicCalculator.Radial.Potential, nm::Model, primitives::JenaAtomicCalculator.BsplinesN.Primitives; printout::Bool) @ JenaAtomicCalculator.BsplinesN ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:199 [9] generateOrbitals @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:179 [inlined] [10] _iterate_abstractarray(A::Vector{Configuration}, state::Int64) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:168 [inlined] [11] iterate(A::Vector{Configuration}, state::Int64) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:160 [inlined] [12] initializeBasis(configs::Vector{Configuration}, nuclearModel::Model, primitives::JenaAtomicCalculator.BsplinesN.Primitives, settings::AsfSettings; levelSymmetries::Vector{LevelSymmetry}, printout::Bool) @ JenaAtomicCalculator.SelfConsistent ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:274 [13] vect(::Type{JenaAtomicCalculator.Basics.DFSField}, ::Type{JenaAtomicCalculator.Basics.DFSwCPField}, ::Type{JenaAtomicCalculator.Basics.HSField}) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:223 [inlined] [14] performSCF(configs::Vector{Configuration}, nm::Model, grid::JenaAtomicCalculator.Radial.Grid, settings::AsfSettings; levelSymmetries::Vector{LevelSymmetry}, printout::Bool) @ JenaAtomicCalculator.SelfConsistent ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:312 [15] generate(repType::GreenExpansion, rep::Representation; output::Bool) @ JenaAtomicCalculator.BasicsAZ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BascisAZ-inc-generate.jl:253 [16] generate @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BascisAZ-inc-generate.jl:246 [inlined] [17] #generate#34 @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BascisAZ-inc-generate.jl:16 [inlined] [18] JenaAtomicCalculator.Radial.Grid(exponential::Bool) @ JenaAtomicCalculator.Radial ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BascisAZ-inc-generate.jl:15 [inlined] [19] testRepresentation_GreenExpansion(; short::Bool) @ JenaAtomicCalculator.TestFrames ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-TestFrames.jl:1077 [20] testRepresentation_GreenExpansion() @ JenaAtomicCalculator.TestFrames ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-TestFrames.jl:1064 [21] top-level scope @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:5 [22] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2246 [inlined] [23] macro expansion @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:25 [inlined] [24] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2246 [inlined] [25] macro expansion @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:27 [inlined] [26] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:781 [inlined] [27] macro expansion @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:27 [inlined] Test the module MultipoleMoment ... Atomic computation: xx for Z = 26.0, for the process (comp.process) and with the initial configurations: final configurations: nuclearModel: Fermi nuclear model for Z = 26.0 with mass = 55.38, radius R = 3.756573410087755 fm and nuclear spin I = 0, dipole moment mu = 0.0 and quadrupole moment Q = 0.0. grid: Radial grid: rnt = 2.0e-6, h = 0.05, hp = 0.0, NoPoints = 392, ntL = 69, ntS = 71, orderL = 7, orderS = 8, nsL = 62, nsS = 63, mesh = JenaAtomicCalculator.Radial.MeshGL(), ... r: [1.780504510281598e-8, 9.042759120177923e-8, 2.0787030685460475e-7] ... [564.4302351890452, 595.097239730825, 614.0606632064549] wr: [4.530145586285996e-8, 9.785739473901763e-8, 1.3358660616640612e-7] ... [34.882547080539766, 25.552825070730517, 11.829256033233948] tS: [0.0, 0.0, 0.0] ... [618.7099715607404, 618.7099715607404, 618.7099715607404] processSettings: multipoles: EmMultipole[E1] gauges: UseGauge[UseCoulomb] calcAnisotropy: false printBefore: false corePolarization: Do not apply core-polarization with alpha_c = 0.0 a.u., r_c = 0.0 a.u. core shells = Shell[]. lineSelection: Inactive LineSelection. photonEnergyShift: 0.0 mimimumPhotonEnergy: 0.0 maximumPhotonEnergy: 10000.0 (Re-) Define the standard grid with 392 grid points. >>> include Configuration: 1s_1/2^1 2s_1/2^2 >>> include Configuration: 1s_1/2^1 2s_1/2^1 2p_1/2^0 2p_3/2^1 >>> include Configuration: 1s_1/2^1 2s_1/2^1 2p_1/2^1 2p_3/2^0 >>> include Configuration: 1s_1/2^1 2p_1/2^0 2p_3/2^2 >>> include Configuration: 1s_1/2^1 2p_1/2^1 2p_3/2^1 >>> include Configuration: 1s_1/2^1 2p_1/2^2 2p_3/2^0 (Re-) Define a new standard subshell list. > Start SCF process with hydrogenic orbitals. >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: JAC amplitudes: Error During Test at /home/pkgeval/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:31 Test threw exception Expression: TestFrames.testModule_MultipoleMoment() ArgumentError: invalid argument #11 to LAPACK call Stacktrace: [1] getindex(A::Vector{Float64}, i::Int64) @ Base /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/lapack.jl:29 [inlined] [2] sygvd!(itype::Int64, jobz::Char, uplo::Char, A::Matrix{Float64}, B::Matrix{Float64}) @ LinearAlgebra.LAPACK /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/lapack.jl:5511 [3] #eigen!#275 @ /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:254 [inlined] [4] eigen! @ /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:253 [inlined] [5] LinearAlgebra.Symmetric(A::Matrix{Float64}, uplo::Symbol) @ LinearAlgebra /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:250 [inlined] [6] LinearAlgebra.Symmetric(A::Matrix{Float64}) @ LinearAlgebra /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:248 [inlined] [7] diagonalize(sa::String, matrixA::Matrix{Float64}, matrixB::Matrix{Float64}) @ JenaAtomicCalculator.BasicsAZ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BascisAZ-inc-AG.jl:499 [8] generateOrbitals(subshells::Vector{Subshell}, pot::JenaAtomicCalculator.Radial.Potential, nm::Model, primitives::JenaAtomicCalculator.BsplinesN.Primitives; printout::Bool) @ JenaAtomicCalculator.BsplinesN ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:199 [9] generateOrbitals @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:179 [inlined] [10] _iterate_abstractarray(A::Vector{Configuration}, state::Int64) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:168 [inlined] [11] iterate(A::Vector{Configuration}, state::Int64) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:160 [inlined] [12] initializeBasis(configs::Vector{Configuration}, nuclearModel::Model, primitives::JenaAtomicCalculator.BsplinesN.Primitives, settings::AsfSettings; levelSymmetries::Vector{LevelSymmetry}, printout::Bool) @ JenaAtomicCalculator.SelfConsistent ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:274 [13] vect(::Type{JenaAtomicCalculator.Basics.DFSField}, ::Type{JenaAtomicCalculator.Basics.DFSwCPField}, ::Type{JenaAtomicCalculator.Basics.HSField}) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:223 [inlined] [14] performSCF(configs::Vector{Configuration}, nm::Model, grid::JenaAtomicCalculator.Radial.Grid, settings::AsfSettings; levelSymmetries::Vector{LevelSymmetry}, printout::Bool) @ JenaAtomicCalculator.SelfConsistent ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:312 [15] performSCF @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:306 [inlined] [16] perform(computation::JenaAtomicCalculator.Atomic.Computation; output::Bool) @ JenaAtomicCalculator.BasicsAZ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BascisAZ-inc-perform.jl:21 [17] vect(::Configuration, ::Configuration, ::Configuration) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BascisAZ-inc-perform.jl:15 [inlined] [18] testModule_MultipoleMoment(; short::Bool) @ JenaAtomicCalculator.TestFrames ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-TestFrames.jl:691 [19] testModule_MultipoleMoment() @ JenaAtomicCalculator.TestFrames ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-TestFrames.jl:682 [20] top-level scope @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:5 [21] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2246 [inlined] [22] macro expansion @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:31 [inlined] [23] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2246 [inlined] [24] macro expansion @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:31 [inlined] [25] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:781 [inlined] [26] macro expansion @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:31 [inlined] Test the module ParityNonConservation ... (Re-) Define the standard grid with 392 grid points. >>> include Configuration: 1s_1/2^1 2s_1/2^2 >>> include Configuration: 1s_1/2^1 2s_1/2^1 2p_1/2^0 2p_3/2^1 >>> include Configuration: 1s_1/2^1 2s_1/2^1 2p_1/2^1 2p_3/2^0 >>> include Configuration: 1s_1/2^1 2p_1/2^0 2p_3/2^2 >>> include Configuration: 1s_1/2^1 2p_1/2^1 2p_3/2^1 >>> include Configuration: 1s_1/2^1 2p_1/2^2 2p_3/2^0 (Re-) Define a new standard subshell list. > Start SCF process with hydrogenic orbitals. >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: JAC amplitudes: Error During Test at /home/pkgeval/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:32 Test threw exception Expression: TestFrames.testModule_ParityNonConservation() ArgumentError: invalid argument #11 to LAPACK call Stacktrace: [1] getindex(A::Vector{Float64}, i::Int64) @ Base /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/lapack.jl:29 [inlined] [2] sygvd!(itype::Int64, jobz::Char, uplo::Char, A::Matrix{Float64}, B::Matrix{Float64}) @ LinearAlgebra.LAPACK /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/lapack.jl:5511 [3] #eigen!#275 @ /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:254 [inlined] [4] eigen! @ /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:253 [inlined] [5] LinearAlgebra.Symmetric(A::Matrix{Float64}, uplo::Symbol) @ LinearAlgebra /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:250 [inlined] [6] LinearAlgebra.Symmetric(A::Matrix{Float64}) @ LinearAlgebra /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:248 [inlined] [7] diagonalize(sa::String, matrixA::Matrix{Float64}, matrixB::Matrix{Float64}) @ JenaAtomicCalculator.BasicsAZ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BascisAZ-inc-AG.jl:499 [8] generateOrbitals(subshells::Vector{Subshell}, pot::JenaAtomicCalculator.Radial.Potential, nm::Model, primitives::JenaAtomicCalculator.BsplinesN.Primitives; printout::Bool) @ JenaAtomicCalculator.BsplinesN ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:199 [9] generateOrbitals @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:179 [inlined] [10] _iterate_abstractarray(A::Vector{Configuration}, state::Int64) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:168 [inlined] [11] iterate(A::Vector{Configuration}, state::Int64) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:160 [inlined] [12] initializeBasis(configs::Vector{Configuration}, nuclearModel::Model, primitives::JenaAtomicCalculator.BsplinesN.Primitives, settings::AsfSettings; levelSymmetries::Vector{LevelSymmetry}, printout::Bool) @ JenaAtomicCalculator.SelfConsistent ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:274 [13] vect(::Type{JenaAtomicCalculator.Basics.DFSField}, ::Type{JenaAtomicCalculator.Basics.DFSwCPField}, ::Type{JenaAtomicCalculator.Basics.HSField}) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:223 [inlined] [14] performSCF(configs::Vector{Configuration}, nm::Model, grid::JenaAtomicCalculator.Radial.Grid, settings::AsfSettings; levelSymmetries::Vector{LevelSymmetry}, printout::Bool) @ JenaAtomicCalculator.SelfConsistent ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:312 [15] performSCF @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:306 [inlined] [16] perform(computation::JenaAtomicCalculator.Atomic.Computation; output::Bool) @ JenaAtomicCalculator.BasicsAZ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BascisAZ-inc-perform.jl:21 [17] testModule_ParityNonConservation(; short::Bool) @ JenaAtomicCalculator.TestFrames ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-TestFrames.jl:750 [18] testModule_ParityNonConservation() @ JenaAtomicCalculator.TestFrames ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-TestFrames.jl:741 [19] top-level scope @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:5 [20] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2246 [inlined] [21] macro expansion @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:31 [inlined] [22] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2246 [inlined] [23] macro expansion @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:32 [inlined] [24] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:781 [inlined] [25] macro expansion @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:32 [inlined] Test the module Einstein ... (Re-) Define the standard grid with 392 grid points. >>> include Configuration: 1s_1/2^1 2s_1/2^2 >>> include Configuration: 1s_1/2^1 2s_1/2^1 2p_1/2^0 2p_3/2^1 >>> include Configuration: 1s_1/2^1 2s_1/2^1 2p_1/2^1 2p_3/2^0 >>> include Configuration: 1s_1/2^1 2p_1/2^0 2p_3/2^2 >>> include Configuration: 1s_1/2^1 2p_1/2^1 2p_3/2^1 >>> include Configuration: 1s_1/2^1 2p_1/2^2 2p_3/2^0 (Re-) Define a new standard subshell list. > Start SCF process with hydrogenic orbitals. >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: JAC properties: Error During Test at /home/pkgeval/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:36 Test threw exception Expression: TestFrames.testModule_Einstein() ArgumentError: invalid argument #11 to LAPACK call Stacktrace: [1] getindex(A::Vector{Float64}, i::Int64) @ Base /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/lapack.jl:29 [inlined] [2] sygvd!(itype::Int64, jobz::Char, uplo::Char, A::Matrix{Float64}, B::Matrix{Float64}) @ LinearAlgebra.LAPACK /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/lapack.jl:5511 [3] #eigen!#275 @ /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:254 [inlined] [4] eigen! @ /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:253 [inlined] [5] LinearAlgebra.Symmetric(A::Matrix{Float64}, uplo::Symbol) @ LinearAlgebra /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:250 [inlined] [6] LinearAlgebra.Symmetric(A::Matrix{Float64}) @ LinearAlgebra /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:248 [inlined] [7] diagonalize(sa::String, matrixA::Matrix{Float64}, matrixB::Matrix{Float64}) @ JenaAtomicCalculator.BasicsAZ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BascisAZ-inc-AG.jl:499 [8] generateOrbitals(subshells::Vector{Subshell}, pot::JenaAtomicCalculator.Radial.Potential, nm::Model, primitives::JenaAtomicCalculator.BsplinesN.Primitives; printout::Bool) @ JenaAtomicCalculator.BsplinesN ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:199 [9] generateOrbitals @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:179 [inlined] [10] _iterate_abstractarray(A::Vector{Configuration}, state::Int64) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:168 [inlined] [11] iterate(A::Vector{Configuration}, state::Int64) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:160 [inlined] [12] initializeBasis(configs::Vector{Configuration}, nuclearModel::Model, primitives::JenaAtomicCalculator.BsplinesN.Primitives, settings::AsfSettings; levelSymmetries::Vector{LevelSymmetry}, printout::Bool) @ JenaAtomicCalculator.SelfConsistent ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:274 [13] vect(::Type{JenaAtomicCalculator.Basics.DFSField}, ::Type{JenaAtomicCalculator.Basics.DFSwCPField}, ::Type{JenaAtomicCalculator.Basics.HSField}) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:223 [inlined] [14] performSCF(configs::Vector{Configuration}, nm::Model, grid::JenaAtomicCalculator.Radial.Grid, settings::AsfSettings; levelSymmetries::Vector{LevelSymmetry}, printout::Bool) @ JenaAtomicCalculator.SelfConsistent ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:312 [15] performSCF @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:306 [inlined] [16] perform(computation::JenaAtomicCalculator.Atomic.Computation; output::Bool) @ JenaAtomicCalculator.BasicsAZ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BascisAZ-inc-perform.jl:21 [17] vect(::EmMultipole, ::EmMultipole, ::EmMultipole, ::EmMultipole) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BascisAZ-inc-perform.jl:15 [inlined] [18] testModule_Einstein(; short::Bool) @ JenaAtomicCalculator.TestFrames ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-TestFrames.jl:551 [19] testModule_Einstein() @ JenaAtomicCalculator.TestFrames ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-TestFrames.jl:542 [20] top-level scope @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:5 [21] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2246 [inlined] [22] macro expansion @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:36 [inlined] [23] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2246 [inlined] [24] macro expansion @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:36 [inlined] [25] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:781 [inlined] [26] macro expansion @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:36 [inlined] Test the module LandeZeeman ... (Re-) Define the standard grid with 392 grid points. >>> include Configuration: 1s_1/2^2 2s_1/2^2 2p_1/2^2 2p_3/2^4 3s_1/2^2 3p_1/2^1 3p_3/2^4 >>> include Configuration: 1s_1/2^2 2s_1/2^2 2p_1/2^2 2p_3/2^4 3s_1/2^2 3p_1/2^2 3p_3/2^3 >>> include Configuration: 1s_1/2^2 2s_1/2^2 2p_1/2^2 2p_3/2^4 3s_1/2^1 3p_1/2^2 3p_3/2^4 (Re-) Define a new standard subshell list. > Start SCF process with hydrogenic orbitals. >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: JAC properties: Error During Test at /home/pkgeval/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:38 Test threw exception Expression: TestFrames.testModule_LandeZeeman() ArgumentError: invalid argument #11 to LAPACK call Stacktrace: [1] getindex(A::Vector{Float64}, i::Int64) @ Base /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/lapack.jl:29 [inlined] [2] sygvd!(itype::Int64, jobz::Char, uplo::Char, A::Matrix{Float64}, B::Matrix{Float64}) @ LinearAlgebra.LAPACK /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/lapack.jl:5511 [3] #eigen!#275 @ /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:254 [inlined] [4] eigen! @ /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:253 [inlined] [5] LinearAlgebra.Symmetric(A::Matrix{Float64}, uplo::Symbol) @ LinearAlgebra /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:250 [inlined] [6] LinearAlgebra.Symmetric(A::Matrix{Float64}) @ LinearAlgebra /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:248 [inlined] [7] diagonalize(sa::String, matrixA::Matrix{Float64}, matrixB::Matrix{Float64}) @ JenaAtomicCalculator.BasicsAZ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BascisAZ-inc-AG.jl:499 [8] generateOrbitals(subshells::Vector{Subshell}, pot::JenaAtomicCalculator.Radial.Potential, nm::Model, primitives::JenaAtomicCalculator.BsplinesN.Primitives; printout::Bool) @ JenaAtomicCalculator.BsplinesN ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:199 [9] generateOrbitals @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:179 [inlined] [10] _iterate_abstractarray(A::Vector{Configuration}, state::Int64) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:168 [inlined] [11] iterate(A::Vector{Configuration}, state::Int64) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:160 [inlined] [12] initializeBasis(configs::Vector{Configuration}, nuclearModel::Model, primitives::JenaAtomicCalculator.BsplinesN.Primitives, settings::AsfSettings; levelSymmetries::Vector{LevelSymmetry}, printout::Bool) @ JenaAtomicCalculator.SelfConsistent ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:274 [13] vect(::Type{JenaAtomicCalculator.Basics.DFSField}, ::Type{JenaAtomicCalculator.Basics.DFSwCPField}, ::Type{JenaAtomicCalculator.Basics.HSField}) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:223 [inlined] [14] performSCF(configs::Vector{Configuration}, nm::Model, grid::JenaAtomicCalculator.Radial.Grid, settings::AsfSettings; levelSymmetries::Vector{LevelSymmetry}, printout::Bool) @ JenaAtomicCalculator.SelfConsistent ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:312 [15] performSCF @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:306 [inlined] [16] perform(computation::JenaAtomicCalculator.Atomic.Computation; output::Bool) @ JenaAtomicCalculator.BasicsAZ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BascisAZ-inc-perform.jl:21 [17] vect(::Configuration, ::Configuration) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BascisAZ-inc-perform.jl:15 [inlined] [18] testModule_LandeZeeman(; short::Bool) @ JenaAtomicCalculator.TestFrames ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-TestFrames.jl:646 [19] testModule_LandeZeeman() @ JenaAtomicCalculator.TestFrames ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-TestFrames.jl:637 [20] top-level scope @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:5 [21] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2246 [inlined] [22] macro expansion @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:36 [inlined] [23] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2246 [inlined] [24] macro expansion @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:38 [inlined] [25] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:781 [inlined] [26] macro expansion @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:38 [inlined] Test the module IsotopeShift ... (Re-) Define the standard grid with 392 grid points. >>> include Configuration: 1s_1/2^2 2s_1/2^2 2p_1/2^2 2p_3/2^4 3s_1/2^2 3p_1/2^1 3p_3/2^4 >>> include Configuration: 1s_1/2^2 2s_1/2^2 2p_1/2^2 2p_3/2^4 3s_1/2^2 3p_1/2^2 3p_3/2^3 >>> include Configuration: 1s_1/2^2 2s_1/2^2 2p_1/2^2 2p_3/2^4 3s_1/2^1 3p_1/2^2 3p_3/2^4 (Re-) Define a new standard subshell list. > Start SCF process with hydrogenic orbitals. >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: JAC properties: Error During Test at /home/pkgeval/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:39 Test threw exception Expression: TestFrames.testModule_IsotopeShift() ArgumentError: invalid argument #11 to LAPACK call Stacktrace: [1] getindex(A::Vector{Float64}, i::Int64) @ Base /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/lapack.jl:29 [inlined] [2] sygvd!(itype::Int64, jobz::Char, uplo::Char, A::Matrix{Float64}, B::Matrix{Float64}) @ LinearAlgebra.LAPACK /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/lapack.jl:5511 [3] #eigen!#275 @ /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:254 [inlined] [4] eigen! @ /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:253 [inlined] [5] LinearAlgebra.Symmetric(A::Matrix{Float64}, uplo::Symbol) @ LinearAlgebra /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:250 [inlined] [6] LinearAlgebra.Symmetric(A::Matrix{Float64}) @ LinearAlgebra /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:248 [inlined] [7] diagonalize(sa::String, matrixA::Matrix{Float64}, matrixB::Matrix{Float64}) @ JenaAtomicCalculator.BasicsAZ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BascisAZ-inc-AG.jl:499 [8] generateOrbitals(subshells::Vector{Subshell}, pot::JenaAtomicCalculator.Radial.Potential, nm::Model, primitives::JenaAtomicCalculator.BsplinesN.Primitives; printout::Bool) @ JenaAtomicCalculator.BsplinesN ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:199 [9] generateOrbitals @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:179 [inlined] [10] _iterate_abstractarray(A::Vector{Configuration}, state::Int64) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:168 [inlined] [11] iterate(A::Vector{Configuration}, state::Int64) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:160 [inlined] [12] initializeBasis(configs::Vector{Configuration}, nuclearModel::Model, primitives::JenaAtomicCalculator.BsplinesN.Primitives, settings::AsfSettings; levelSymmetries::Vector{LevelSymmetry}, printout::Bool) @ JenaAtomicCalculator.SelfConsistent ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:274 [13] vect(::Type{JenaAtomicCalculator.Basics.DFSField}, ::Type{JenaAtomicCalculator.Basics.DFSwCPField}, ::Type{JenaAtomicCalculator.Basics.HSField}) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:223 [inlined] [14] performSCF(configs::Vector{Configuration}, nm::Model, grid::JenaAtomicCalculator.Radial.Grid, settings::AsfSettings; levelSymmetries::Vector{LevelSymmetry}, printout::Bool) @ JenaAtomicCalculator.SelfConsistent ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:312 [15] performSCF @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:306 [inlined] [16] perform(computation::JenaAtomicCalculator.Atomic.Computation; output::Bool) @ JenaAtomicCalculator.BasicsAZ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BascisAZ-inc-perform.jl:21 [17] vect(::Configuration, ::Configuration) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BascisAZ-inc-perform.jl:15 [inlined] [18] testModule_IsotopeShift(; short::Bool) @ JenaAtomicCalculator.TestFrames ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-TestFrames.jl:622 [19] testModule_IsotopeShift() @ JenaAtomicCalculator.TestFrames ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-TestFrames.jl:614 [20] top-level scope @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:5 [21] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2246 [inlined] [22] macro expansion @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:36 [inlined] [23] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2246 [inlined] [24] macro expansion @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:39 [inlined] [25] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:781 [inlined] [26] macro expansion @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:39 [inlined] Test the module AlphaVariation ... (Re-) Define the standard grid with 392 grid points. >>> include Configuration: 1s_1/2^2 2s_1/2^2 2p_1/2^2 2p_3/2^4 3s_1/2^2 3p_1/2^1 3p_3/2^4 >>> include Configuration: 1s_1/2^2 2s_1/2^2 2p_1/2^2 2p_3/2^4 3s_1/2^2 3p_1/2^2 3p_3/2^3 >>> include Configuration: 1s_1/2^2 2s_1/2^2 2p_1/2^2 2p_3/2^4 3s_1/2^1 3p_1/2^2 3p_3/2^4 (Re-) Define a new standard subshell list. > Start SCF process with hydrogenic orbitals. >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: JAC properties: Error During Test at /home/pkgeval/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:40 Test threw exception Expression: TestFrames.testModule_AlphaVariation() ArgumentError: invalid argument #11 to LAPACK call Stacktrace: [1] getindex(A::Vector{Float64}, i::Int64) @ Base /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/lapack.jl:29 [inlined] [2] sygvd!(itype::Int64, jobz::Char, uplo::Char, A::Matrix{Float64}, B::Matrix{Float64}) @ LinearAlgebra.LAPACK /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/lapack.jl:5511 [3] #eigen!#275 @ /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:254 [inlined] [4] eigen! @ /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:253 [inlined] [5] LinearAlgebra.Symmetric(A::Matrix{Float64}, uplo::Symbol) @ LinearAlgebra /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:250 [inlined] [6] LinearAlgebra.Symmetric(A::Matrix{Float64}) @ LinearAlgebra /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:248 [inlined] [7] diagonalize(sa::String, matrixA::Matrix{Float64}, matrixB::Matrix{Float64}) @ JenaAtomicCalculator.BasicsAZ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BascisAZ-inc-AG.jl:499 [8] generateOrbitals(subshells::Vector{Subshell}, pot::JenaAtomicCalculator.Radial.Potential, nm::Model, primitives::JenaAtomicCalculator.BsplinesN.Primitives; printout::Bool) @ JenaAtomicCalculator.BsplinesN ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:199 [9] generateOrbitals @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:179 [inlined] [10] _iterate_abstractarray(A::Vector{Configuration}, state::Int64) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:168 [inlined] [11] iterate(A::Vector{Configuration}, state::Int64) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:160 [inlined] [12] initializeBasis(configs::Vector{Configuration}, nuclearModel::Model, primitives::JenaAtomicCalculator.BsplinesN.Primitives, settings::AsfSettings; levelSymmetries::Vector{LevelSymmetry}, printout::Bool) @ JenaAtomicCalculator.SelfConsistent ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:274 [13] vect(::Type{JenaAtomicCalculator.Basics.DFSField}, ::Type{JenaAtomicCalculator.Basics.DFSwCPField}, ::Type{JenaAtomicCalculator.Basics.HSField}) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:223 [inlined] [14] performSCF(configs::Vector{Configuration}, nm::Model, grid::JenaAtomicCalculator.Radial.Grid, settings::AsfSettings; levelSymmetries::Vector{LevelSymmetry}, printout::Bool) @ JenaAtomicCalculator.SelfConsistent ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:312 [15] performSCF @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:306 [inlined] [16] perform(computation::JenaAtomicCalculator.Atomic.Computation; output::Bool) @ JenaAtomicCalculator.BasicsAZ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BascisAZ-inc-perform.jl:21 [17] vect(::Configuration, ::Configuration) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BascisAZ-inc-perform.jl:15 [inlined] [18] testModule_AlphaVariation(; short::Bool) @ JenaAtomicCalculator.TestFrames ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-TestFrames.jl:323 [19] testModule_AlphaVariation() @ JenaAtomicCalculator.TestFrames ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-TestFrames.jl:315 [20] top-level scope @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:5 [21] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2246 [inlined] [22] macro expansion @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:36 [inlined] [23] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2246 [inlined] [24] macro expansion @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:40 [inlined] [25] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:781 [inlined] [26] macro expansion @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:40 [inlined] Test the module FormFactor ... (Re-) Define the standard grid with 392 grid points. >>> include Configuration: 1s_1/2^2 2s_1/2^2 2p_1/2^2 2p_3/2^4 3s_1/2^2 3p_1/2^1 3p_3/2^4 >>> include Configuration: 1s_1/2^2 2s_1/2^2 2p_1/2^2 2p_3/2^4 3s_1/2^2 3p_1/2^2 3p_3/2^3 >>> include Configuration: 1s_1/2^2 2s_1/2^2 2p_1/2^2 2p_3/2^4 3s_1/2^1 3p_1/2^2 3p_3/2^4 (Re-) Define a new standard subshell list. > Start SCF process with hydrogenic orbitals. >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: JAC properties: Error During Test at /home/pkgeval/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:41 Test threw exception Expression: TestFrames.testModule_FormFactor() ArgumentError: invalid argument #11 to LAPACK call Stacktrace: [1] getindex(A::Vector{Float64}, i::Int64) @ Base /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/lapack.jl:29 [inlined] [2] sygvd!(itype::Int64, jobz::Char, uplo::Char, A::Matrix{Float64}, B::Matrix{Float64}) @ LinearAlgebra.LAPACK /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/lapack.jl:5511 [3] #eigen!#275 @ /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:254 [inlined] [4] eigen! @ /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:253 [inlined] [5] LinearAlgebra.Symmetric(A::Matrix{Float64}, uplo::Symbol) @ LinearAlgebra /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:250 [inlined] [6] LinearAlgebra.Symmetric(A::Matrix{Float64}) @ LinearAlgebra /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:248 [inlined] [7] diagonalize(sa::String, matrixA::Matrix{Float64}, matrixB::Matrix{Float64}) @ JenaAtomicCalculator.BasicsAZ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BascisAZ-inc-AG.jl:499 [8] generateOrbitals(subshells::Vector{Subshell}, pot::JenaAtomicCalculator.Radial.Potential, nm::Model, primitives::JenaAtomicCalculator.BsplinesN.Primitives; printout::Bool) @ JenaAtomicCalculator.BsplinesN ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:199 [9] generateOrbitals @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:179 [inlined] [10] _iterate_abstractarray(A::Vector{Configuration}, state::Int64) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:168 [inlined] [11] iterate(A::Vector{Configuration}, state::Int64) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:160 [inlined] [12] initializeBasis(configs::Vector{Configuration}, nuclearModel::Model, primitives::JenaAtomicCalculator.BsplinesN.Primitives, settings::AsfSettings; levelSymmetries::Vector{LevelSymmetry}, printout::Bool) @ JenaAtomicCalculator.SelfConsistent ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:274 [13] vect(::Type{JenaAtomicCalculator.Basics.DFSField}, ::Type{JenaAtomicCalculator.Basics.DFSwCPField}, ::Type{JenaAtomicCalculator.Basics.HSField}) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:223 [inlined] [14] performSCF(configs::Vector{Configuration}, nm::Model, grid::JenaAtomicCalculator.Radial.Grid, settings::AsfSettings; levelSymmetries::Vector{LevelSymmetry}, printout::Bool) @ JenaAtomicCalculator.SelfConsistent ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:312 [15] performSCF @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:306 [inlined] [16] perform(computation::JenaAtomicCalculator.Atomic.Computation; output::Bool) @ JenaAtomicCalculator.BasicsAZ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BascisAZ-inc-perform.jl:21 [17] vect(::Configuration, ::Configuration) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BascisAZ-inc-perform.jl:15 [inlined] [18] testModule_FormFactor(; short::Bool) @ JenaAtomicCalculator.TestFrames ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-TestFrames.jl:573 [19] testModule_FormFactor() @ JenaAtomicCalculator.TestFrames ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-TestFrames.jl:566 [20] top-level scope @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:5 [21] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2246 [inlined] [22] macro expansion @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:36 [inlined] [23] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2246 [inlined] [24] macro expansion @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:41 [inlined] [25] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:781 [inlined] [26] macro expansion @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:41 [inlined] Test the module DecayYield ... (Re-) Define the standard grid with 770 grid points. >>> include Configuration: 1s_1/2^1 2s_1/2^2 2p_1/2^2 2p_3/2^4 (Re-) Define a new standard subshell list. > Start SCF process with hydrogenic orbitals. >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: JAC properties: Error During Test at /home/pkgeval/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:42 Test threw exception Expression: TestFrames.testModule_DecayYield() ArgumentError: invalid argument #11 to LAPACK call Stacktrace: [1] getindex(A::Vector{Float64}, i::Int64) @ Base /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/lapack.jl:29 [inlined] [2] sygvd!(itype::Int64, jobz::Char, uplo::Char, A::Matrix{Float64}, B::Matrix{Float64}) @ LinearAlgebra.LAPACK /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/lapack.jl:5511 [3] #eigen!#275 @ /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:254 [inlined] [4] eigen! @ /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:253 [inlined] [5] LinearAlgebra.Symmetric(A::Matrix{Float64}, uplo::Symbol) @ LinearAlgebra /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:250 [inlined] [6] LinearAlgebra.Symmetric(A::Matrix{Float64}) @ LinearAlgebra /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:248 [inlined] [7] diagonalize(sa::String, matrixA::Matrix{Float64}, matrixB::Matrix{Float64}) @ JenaAtomicCalculator.BasicsAZ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BascisAZ-inc-AG.jl:499 [8] generateOrbitals(subshells::Vector{Subshell}, pot::JenaAtomicCalculator.Radial.Potential, nm::Model, primitives::JenaAtomicCalculator.BsplinesN.Primitives; printout::Bool) @ JenaAtomicCalculator.BsplinesN ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:199 [9] generateOrbitals @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:179 [inlined] [10] _iterate_abstractarray(A::Vector{Configuration}, state::Int64) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:168 [inlined] [11] iterate(A::Vector{Configuration}, state::Int64) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:160 [inlined] [12] initializeBasis(configs::Vector{Configuration}, nuclearModel::Model, primitives::JenaAtomicCalculator.BsplinesN.Primitives, settings::AsfSettings; levelSymmetries::Vector{LevelSymmetry}, printout::Bool) @ JenaAtomicCalculator.SelfConsistent ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:274 [13] vect(::Type{JenaAtomicCalculator.Basics.DFSField}, ::Type{JenaAtomicCalculator.Basics.DFSwCPField}, ::Type{JenaAtomicCalculator.Basics.HSField}) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:223 [inlined] [14] performSCF(configs::Vector{Configuration}, nm::Model, grid::JenaAtomicCalculator.Radial.Grid, settings::AsfSettings; levelSymmetries::Vector{LevelSymmetry}, printout::Bool) @ JenaAtomicCalculator.SelfConsistent ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:312 [15] performSCF @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:306 [inlined] [16] perform(computation::JenaAtomicCalculator.Atomic.Computation; output::Bool) @ JenaAtomicCalculator.BasicsAZ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BascisAZ-inc-perform.jl:21 [17] vect(X::JenaAtomicCalculator.DecayYield.Settings) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BascisAZ-inc-perform.jl:15 [inlined] [18] testModule_DecayYield(; short::Bool) @ JenaAtomicCalculator.TestFrames ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-TestFrames.jl:499 [19] testModule_DecayYield() @ JenaAtomicCalculator.TestFrames ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-TestFrames.jl:491 [20] top-level scope @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:5 [21] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2246 [inlined] [22] macro expansion @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:36 [inlined] [23] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2246 [inlined] [24] macro expansion @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:42 [inlined] [25] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:781 [inlined] [26] macro expansion @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:42 [inlined] Test the module MultipolePolarizibility ... (Re-) Define the standard grid with 392 grid points. >>> include Configuration: 1s_1/2^2 2s_1/2^2 2p_1/2^2 2p_3/2^4 3s_1/2^2 3p_1/2^1 3p_3/2^4 >>> include Configuration: 1s_1/2^2 2s_1/2^2 2p_1/2^2 2p_3/2^4 3s_1/2^2 3p_1/2^2 3p_3/2^3 >>> include Configuration: 1s_1/2^2 2s_1/2^2 2p_1/2^2 2p_3/2^4 3s_1/2^1 3p_1/2^2 3p_3/2^4 (Re-) Define a new standard subshell list. > Start SCF process with hydrogenic orbitals. >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: JAC properties: Error During Test at /home/pkgeval/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:43 Test threw exception Expression: TestFrames.testModule_MultipolePolarizibility() ArgumentError: invalid argument #11 to LAPACK call Stacktrace: [1] getindex(A::Vector{Float64}, i::Int64) @ Base /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/lapack.jl:29 [inlined] [2] sygvd!(itype::Int64, jobz::Char, uplo::Char, A::Matrix{Float64}, B::Matrix{Float64}) @ LinearAlgebra.LAPACK /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/lapack.jl:5511 [3] #eigen!#275 @ /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:254 [inlined] [4] eigen! @ /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:253 [inlined] [5] LinearAlgebra.Symmetric(A::Matrix{Float64}, uplo::Symbol) @ LinearAlgebra /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:250 [inlined] [6] LinearAlgebra.Symmetric(A::Matrix{Float64}) @ LinearAlgebra /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:248 [inlined] [7] diagonalize(sa::String, matrixA::Matrix{Float64}, matrixB::Matrix{Float64}) @ JenaAtomicCalculator.BasicsAZ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BascisAZ-inc-AG.jl:499 [8] generateOrbitals(subshells::Vector{Subshell}, pot::JenaAtomicCalculator.Radial.Potential, nm::Model, primitives::JenaAtomicCalculator.BsplinesN.Primitives; printout::Bool) @ JenaAtomicCalculator.BsplinesN ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:199 [9] generateOrbitals @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:179 [inlined] [10] _iterate_abstractarray(A::Vector{Configuration}, state::Int64) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:168 [inlined] [11] iterate(A::Vector{Configuration}, state::Int64) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:160 [inlined] [12] initializeBasis(configs::Vector{Configuration}, nuclearModel::Model, primitives::JenaAtomicCalculator.BsplinesN.Primitives, settings::AsfSettings; levelSymmetries::Vector{LevelSymmetry}, printout::Bool) @ JenaAtomicCalculator.SelfConsistent ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:274 [13] vect(::Type{JenaAtomicCalculator.Basics.DFSField}, ::Type{JenaAtomicCalculator.Basics.DFSwCPField}, ::Type{JenaAtomicCalculator.Basics.HSField}) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:223 [inlined] [14] performSCF(configs::Vector{Configuration}, nm::Model, grid::JenaAtomicCalculator.Radial.Grid, settings::AsfSettings; levelSymmetries::Vector{LevelSymmetry}, printout::Bool) @ JenaAtomicCalculator.SelfConsistent ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:312 [15] performSCF @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:306 [inlined] [16] perform(computation::JenaAtomicCalculator.Atomic.Computation; output::Bool) @ JenaAtomicCalculator.BasicsAZ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BascisAZ-inc-perform.jl:21 [17] vect(::Configuration, ::Configuration) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BascisAZ-inc-perform.jl:15 [inlined] [18] testModule_MultipolePolarizibility(; short::Bool) @ JenaAtomicCalculator.TestFrames ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-TestFrames.jl:725 [19] testModule_MultipolePolarizibility() @ JenaAtomicCalculator.TestFrames ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-TestFrames.jl:717 [20] top-level scope @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:5 [21] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2246 [inlined] [22] macro expansion @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:36 [inlined] [23] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2246 [inlined] [24] macro expansion @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:43 [inlined] [25] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:781 [inlined] [26] macro expansion @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:43 [inlined] Test the module PhotoEmission ... (Re-) Define the standard grid with 392 grid points. >>> include Configuration: 1s_1/2^1 2s_1/2^2 >>> include Configuration: 1s_1/2^1 2s_1/2^1 2p_1/2^0 2p_3/2^1 >>> include Configuration: 1s_1/2^1 2s_1/2^1 2p_1/2^1 2p_3/2^0 >>> include Configuration: 1s_1/2^1 2p_1/2^0 2p_3/2^2 >>> include Configuration: 1s_1/2^1 2p_1/2^1 2p_3/2^1 >>> include Configuration: 1s_1/2^1 2p_1/2^2 2p_3/2^0 (Re-) Define a new standard subshell list. > Start SCF process with hydrogenic orbitals. >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: JAC processes: Error During Test at /home/pkgeval/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:47 Test threw exception Expression: TestFrames.testModule_PhotoEmission() ArgumentError: invalid argument #11 to LAPACK call Stacktrace: [1] getindex(A::Vector{Float64}, i::Int64) @ Base /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/lapack.jl:29 [inlined] [2] sygvd!(itype::Int64, jobz::Char, uplo::Char, A::Matrix{Float64}, B::Matrix{Float64}) @ LinearAlgebra.LAPACK /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/lapack.jl:5511 [3] #eigen!#275 @ /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:254 [inlined] [4] eigen! @ /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:253 [inlined] [5] LinearAlgebra.Symmetric(A::Matrix{Float64}, uplo::Symbol) @ LinearAlgebra /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:250 [inlined] [6] LinearAlgebra.Symmetric(A::Matrix{Float64}) @ LinearAlgebra /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:248 [inlined] [7] diagonalize(sa::String, matrixA::Matrix{Float64}, matrixB::Matrix{Float64}) @ JenaAtomicCalculator.BasicsAZ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BascisAZ-inc-AG.jl:499 [8] generateOrbitals(subshells::Vector{Subshell}, pot::JenaAtomicCalculator.Radial.Potential, nm::Model, primitives::JenaAtomicCalculator.BsplinesN.Primitives; printout::Bool) @ JenaAtomicCalculator.BsplinesN ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:199 [9] generateOrbitals @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:179 [inlined] [10] _iterate_abstractarray(A::Vector{Configuration}, state::Int64) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:168 [inlined] [11] iterate(A::Vector{Configuration}, state::Int64) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:160 [inlined] [12] initializeBasis(configs::Vector{Configuration}, nuclearModel::Model, primitives::JenaAtomicCalculator.BsplinesN.Primitives, settings::AsfSettings; levelSymmetries::Vector{LevelSymmetry}, printout::Bool) @ JenaAtomicCalculator.SelfConsistent ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:274 [13] vect(::Type{JenaAtomicCalculator.Basics.DFSField}, ::Type{JenaAtomicCalculator.Basics.DFSwCPField}, ::Type{JenaAtomicCalculator.Basics.HSField}) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:223 [inlined] [14] performSCF(configs::Vector{Configuration}, nm::Model, grid::JenaAtomicCalculator.Radial.Grid, settings::AsfSettings; levelSymmetries::Vector{LevelSymmetry}, printout::Bool) @ JenaAtomicCalculator.SelfConsistent ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:312 [15] performSCF @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:306 [inlined] [16] perform(computation::JenaAtomicCalculator.Atomic.Computation; output::Bool) @ JenaAtomicCalculator.BasicsAZ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BascisAZ-inc-perform.jl:78 [17] vect(::Configuration, ::Configuration, ::Configuration) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BascisAZ-inc-perform.jl:15 [inlined] [18] testModule_PhotoEmission(; short::Bool) @ JenaAtomicCalculator.TestFrames ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-TestFrames.jl:945 [19] testModule_PhotoEmission() @ JenaAtomicCalculator.TestFrames ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-TestFrames.jl:936 [20] top-level scope @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:5 [21] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2246 [inlined] [22] macro expansion @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:47 [inlined] [23] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2246 [inlined] [24] macro expansion @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:47 [inlined] [25] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:781 [inlined] [26] macro expansion @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:47 [inlined] Test the module PhotoExcitation ... (Re-) Define the standard grid with 392 grid points. >>> include Configuration: 1s_1/2^1 2s_1/2^2 >>> include Configuration: 1s_1/2^1 2s_1/2^1 2p_1/2^0 2p_3/2^1 >>> include Configuration: 1s_1/2^1 2s_1/2^1 2p_1/2^1 2p_3/2^0 >>> include Configuration: 1s_1/2^1 2p_1/2^0 2p_3/2^2 >>> include Configuration: 1s_1/2^1 2p_1/2^1 2p_3/2^1 >>> include Configuration: 1s_1/2^1 2p_1/2^2 2p_3/2^0 (Re-) Define a new standard subshell list. > Start SCF process with hydrogenic orbitals. >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: JAC processes: Error During Test at /home/pkgeval/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:48 Test threw exception Expression: TestFrames.testModule_PhotoExcitation() ArgumentError: invalid argument #11 to LAPACK call Stacktrace: [1] getindex(A::Vector{Float64}, i::Int64) @ Base /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/lapack.jl:29 [inlined] [2] sygvd!(itype::Int64, jobz::Char, uplo::Char, A::Matrix{Float64}, B::Matrix{Float64}) @ LinearAlgebra.LAPACK /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/lapack.jl:5511 [3] #eigen!#275 @ /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:254 [inlined] [4] eigen! @ /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:253 [inlined] [5] LinearAlgebra.Symmetric(A::Matrix{Float64}, uplo::Symbol) @ LinearAlgebra /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:250 [inlined] [6] LinearAlgebra.Symmetric(A::Matrix{Float64}) @ LinearAlgebra /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:248 [inlined] [7] diagonalize(sa::String, matrixA::Matrix{Float64}, matrixB::Matrix{Float64}) @ JenaAtomicCalculator.BasicsAZ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BascisAZ-inc-AG.jl:499 [8] generateOrbitals(subshells::Vector{Subshell}, pot::JenaAtomicCalculator.Radial.Potential, nm::Model, primitives::JenaAtomicCalculator.BsplinesN.Primitives; printout::Bool) @ JenaAtomicCalculator.BsplinesN ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:199 [9] generateOrbitals @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:179 [inlined] [10] _iterate_abstractarray(A::Vector{Configuration}, state::Int64) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:168 [inlined] [11] iterate(A::Vector{Configuration}, state::Int64) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:160 [inlined] [12] initializeBasis(configs::Vector{Configuration}, nuclearModel::Model, primitives::JenaAtomicCalculator.BsplinesN.Primitives, settings::AsfSettings; levelSymmetries::Vector{LevelSymmetry}, printout::Bool) @ JenaAtomicCalculator.SelfConsistent ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:274 [13] vect(::Type{JenaAtomicCalculator.Basics.DFSField}, ::Type{JenaAtomicCalculator.Basics.DFSwCPField}, ::Type{JenaAtomicCalculator.Basics.HSField}) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:223 [inlined] [14] performSCF(configs::Vector{Configuration}, nm::Model, grid::JenaAtomicCalculator.Radial.Grid, settings::AsfSettings; levelSymmetries::Vector{LevelSymmetry}, printout::Bool) @ JenaAtomicCalculator.SelfConsistent ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:312 [15] performSCF @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:306 [inlined] [16] perform(computation::JenaAtomicCalculator.Atomic.Computation; output::Bool) @ JenaAtomicCalculator.BasicsAZ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BascisAZ-inc-perform.jl:78 [17] vect(::Configuration, ::Configuration, ::Configuration) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BascisAZ-inc-perform.jl:15 [inlined] [18] testModule_PhotoExcitation(; short::Bool) @ JenaAtomicCalculator.TestFrames ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-TestFrames.jl:811 [19] testModule_PhotoExcitation() @ JenaAtomicCalculator.TestFrames ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-TestFrames.jl:801 [20] top-level scope @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:5 [21] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2246 [inlined] [22] macro expansion @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:47 [inlined] [23] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2246 [inlined] [24] macro expansion @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:48 [inlined] [25] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:781 [inlined] [26] macro expansion @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:48 [inlined] Test the module PhotoIonization ... (Re-) Define the standard grid with 770 grid points. >>> include Configuration: 1s_1/2^2 2s_1/2^2 2p_1/2^2 2p_3/2^4 (Re-) Define a new standard subshell list. > Start SCF process with hydrogenic orbitals. >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: JAC processes: Error During Test at /home/pkgeval/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:49 Test threw exception Expression: TestFrames.testModule_PhotoIonization() ArgumentError: invalid argument #11 to LAPACK call Stacktrace: [1] getindex(A::Vector{Float64}, i::Int64) @ Base /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/lapack.jl:29 [inlined] [2] sygvd!(itype::Int64, jobz::Char, uplo::Char, A::Matrix{Float64}, B::Matrix{Float64}) @ LinearAlgebra.LAPACK /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/lapack.jl:5511 [3] #eigen!#275 @ /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:254 [inlined] [4] eigen! @ /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:253 [inlined] [5] LinearAlgebra.Symmetric(A::Matrix{Float64}, uplo::Symbol) @ LinearAlgebra /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:250 [inlined] [6] LinearAlgebra.Symmetric(A::Matrix{Float64}) @ LinearAlgebra /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:248 [inlined] [7] diagonalize(sa::String, matrixA::Matrix{Float64}, matrixB::Matrix{Float64}) @ JenaAtomicCalculator.BasicsAZ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BascisAZ-inc-AG.jl:499 [8] generateOrbitals(subshells::Vector{Subshell}, pot::JenaAtomicCalculator.Radial.Potential, nm::Model, primitives::JenaAtomicCalculator.BsplinesN.Primitives; printout::Bool) @ JenaAtomicCalculator.BsplinesN ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:199 [9] generateOrbitals @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:179 [inlined] [10] _iterate_abstractarray(A::Vector{Configuration}, state::Int64) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:168 [inlined] [11] iterate(A::Vector{Configuration}, state::Int64) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:160 [inlined] [12] initializeBasis(configs::Vector{Configuration}, nuclearModel::Model, primitives::JenaAtomicCalculator.BsplinesN.Primitives, settings::AsfSettings; levelSymmetries::Vector{LevelSymmetry}, printout::Bool) @ JenaAtomicCalculator.SelfConsistent ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:274 [13] vect(::Type{JenaAtomicCalculator.Basics.DFSField}, ::Type{JenaAtomicCalculator.Basics.DFSwCPField}, ::Type{JenaAtomicCalculator.Basics.HSField}) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:223 [inlined] [14] performSCF(configs::Vector{Configuration}, nm::Model, grid::JenaAtomicCalculator.Radial.Grid, settings::AsfSettings; levelSymmetries::Vector{LevelSymmetry}, printout::Bool) @ JenaAtomicCalculator.SelfConsistent ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:312 [15] performSCF @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:306 [inlined] [16] perform(computation::JenaAtomicCalculator.Atomic.Computation; output::Bool) @ JenaAtomicCalculator.BasicsAZ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BascisAZ-inc-perform.jl:78 [17] vect(::EmMultipole, ::EmMultipole) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BascisAZ-inc-perform.jl:15 [inlined] [18] testModule_PhotoIonization(; short::Bool) @ JenaAtomicCalculator.TestFrames ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-TestFrames.jl:896 [19] testModule_PhotoIonization() @ JenaAtomicCalculator.TestFrames ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-TestFrames.jl:885 [20] top-level scope @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:5 [21] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2246 [inlined] [22] macro expansion @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:47 [inlined] [23] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2246 [inlined] [24] macro expansion @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:49 [inlined] [25] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:781 [inlined] [26] macro expansion @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:49 [inlined] Test the module PhotoRecombination ... (Re-) Define the standard grid with 910 grid points. >>> include Configuration: 1s_1/2^2 (Re-) Define a new standard subshell list. > Start SCF process with hydrogenic orbitals. >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: JAC processes: Error During Test at /home/pkgeval/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:50 Test threw exception Expression: TestFrames.testModule_PhotoRecombination() ArgumentError: invalid argument #11 to LAPACK call Stacktrace: [1] getindex(A::Vector{Float64}, i::Int64) @ Base /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/lapack.jl:29 [inlined] [2] sygvd!(itype::Int64, jobz::Char, uplo::Char, A::Matrix{Float64}, B::Matrix{Float64}) @ LinearAlgebra.LAPACK /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/lapack.jl:5511 [3] #eigen!#275 @ /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:254 [inlined] [4] eigen! @ /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:253 [inlined] [5] LinearAlgebra.Symmetric(A::Matrix{Float64}, uplo::Symbol) @ LinearAlgebra /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:250 [inlined] [6] LinearAlgebra.Symmetric(A::Matrix{Float64}) @ LinearAlgebra /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:248 [inlined] [7] diagonalize(sa::String, matrixA::Matrix{Float64}, matrixB::Matrix{Float64}) @ JenaAtomicCalculator.BasicsAZ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BascisAZ-inc-AG.jl:499 [8] generateOrbitals(subshells::Vector{Subshell}, pot::JenaAtomicCalculator.Radial.Potential, nm::Model, primitives::JenaAtomicCalculator.BsplinesN.Primitives; printout::Bool) @ JenaAtomicCalculator.BsplinesN ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:199 [9] generateOrbitals @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:179 [inlined] [10] _iterate_abstractarray(A::Vector{Configuration}, state::Int64) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:168 [inlined] [11] iterate(A::Vector{Configuration}, state::Int64) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:160 [inlined] [12] initializeBasis(configs::Vector{Configuration}, nuclearModel::Model, primitives::JenaAtomicCalculator.BsplinesN.Primitives, settings::AsfSettings; levelSymmetries::Vector{LevelSymmetry}, printout::Bool) @ JenaAtomicCalculator.SelfConsistent ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:274 [13] vect(::Type{JenaAtomicCalculator.Basics.DFSField}, ::Type{JenaAtomicCalculator.Basics.DFSwCPField}, ::Type{JenaAtomicCalculator.Basics.HSField}) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:223 [inlined] [14] performSCF(configs::Vector{Configuration}, nm::Model, grid::JenaAtomicCalculator.Radial.Grid, settings::AsfSettings; levelSymmetries::Vector{LevelSymmetry}, printout::Bool) @ JenaAtomicCalculator.SelfConsistent ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:312 [15] performSCF @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:306 [inlined] [16] perform(computation::JenaAtomicCalculator.Atomic.Computation; output::Bool) @ JenaAtomicCalculator.BasicsAZ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BascisAZ-inc-perform.jl:78 [17] vect(::Configuration, ::Configuration, ::Configuration, ::Configuration) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BascisAZ-inc-perform.jl:15 [inlined] [18] testModule_PhotoRecombination(; short::Bool) @ JenaAtomicCalculator.TestFrames ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-TestFrames.jl:921 [19] testModule_PhotoRecombination() @ JenaAtomicCalculator.TestFrames ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-TestFrames.jl:911 [20] top-level scope @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:5 [21] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2246 [inlined] [22] macro expansion @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:47 [inlined] [23] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2246 [inlined] [24] macro expansion @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:50 [inlined] [25] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:781 [inlined] [26] macro expansion @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:50 [inlined] Test the module AutoIonization ... (Re-) Define the standard grid with 896 grid points. >>> include Configuration: 1s_1/2^2 2s_1/2^2 2p_1/2^0 2p_3/2^1 >>> include Configuration: 1s_1/2^2 2s_1/2^2 2p_1/2^1 2p_3/2^0 >>> include Configuration: 1s_1/2^1 2s_1/2^2 2p_1/2^0 2p_3/2^2 >>> include Configuration: 1s_1/2^1 2s_1/2^2 2p_1/2^1 2p_3/2^1 >>> include Configuration: 1s_1/2^1 2s_1/2^2 2p_1/2^2 2p_3/2^0 (Re-) Define a new standard subshell list. > Start SCF process with hydrogenic orbitals. >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: JAC processes: Error During Test at /home/pkgeval/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:51 Test threw exception Expression: TestFrames.testModule_AutoIonization() ArgumentError: invalid argument #11 to LAPACK call Stacktrace: [1] getindex(A::Vector{Float64}, i::Int64) @ Base /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/lapack.jl:29 [inlined] [2] sygvd!(itype::Int64, jobz::Char, uplo::Char, A::Matrix{Float64}, B::Matrix{Float64}) @ LinearAlgebra.LAPACK /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/lapack.jl:5511 [3] #eigen!#275 @ /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:254 [inlined] [4] eigen! @ /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:253 [inlined] [5] LinearAlgebra.Symmetric(A::Matrix{Float64}, uplo::Symbol) @ LinearAlgebra /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:250 [inlined] [6] LinearAlgebra.Symmetric(A::Matrix{Float64}) @ LinearAlgebra /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:248 [inlined] [7] diagonalize(sa::String, matrixA::Matrix{Float64}, matrixB::Matrix{Float64}) @ JenaAtomicCalculator.BasicsAZ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BascisAZ-inc-AG.jl:499 [8] generateOrbitals(subshells::Vector{Subshell}, pot::JenaAtomicCalculator.Radial.Potential, nm::Model, primitives::JenaAtomicCalculator.BsplinesN.Primitives; printout::Bool) @ JenaAtomicCalculator.BsplinesN ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:199 [9] generateOrbitals @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:179 [inlined] [10] _iterate_abstractarray(A::Vector{Configuration}, state::Int64) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:168 [inlined] [11] iterate(A::Vector{Configuration}, state::Int64) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:160 [inlined] [12] initializeBasis(configs::Vector{Configuration}, nuclearModel::Model, primitives::JenaAtomicCalculator.BsplinesN.Primitives, settings::AsfSettings; levelSymmetries::Vector{LevelSymmetry}, printout::Bool) @ JenaAtomicCalculator.SelfConsistent ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:274 [13] vect(::Type{JenaAtomicCalculator.Basics.DFSField}, ::Type{JenaAtomicCalculator.Basics.DFSwCPField}, ::Type{JenaAtomicCalculator.Basics.HSField}) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:223 [inlined] [14] performSCF(configs::Vector{Configuration}, nm::Model, grid::JenaAtomicCalculator.Radial.Grid, settings::AsfSettings; levelSymmetries::Vector{LevelSymmetry}, printout::Bool) @ JenaAtomicCalculator.SelfConsistent ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:312 [15] performSCF @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:306 [inlined] [16] perform(computation::JenaAtomicCalculator.Atomic.Computation; output::Bool) @ JenaAtomicCalculator.BasicsAZ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BascisAZ-inc-perform.jl:78 [17] vect(::Configuration, ::Configuration) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BascisAZ-inc-perform.jl:15 [inlined] [18] testModule_AutoIonization(; short::Bool) @ JenaAtomicCalculator.TestFrames ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-TestFrames.jl:349 [19] testModule_AutoIonization() @ JenaAtomicCalculator.TestFrames ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-TestFrames.jl:338 [20] top-level scope @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:5 [21] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2246 [inlined] [22] macro expansion @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:47 [inlined] [23] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2246 [inlined] [24] macro expansion @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:51 [inlined] [25] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:781 [inlined] [26] macro expansion @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:51 [inlined] Test the module DielectronicRecombination ... (Re-) Define the standard grid with 609 grid points. >>> include Configuration: 1s_1/2^2 2s_1/2^1 >>> include Configuration: 1s_1/2^2 2p_1/2^0 2p_3/2^1 >>> include Configuration: 1s_1/2^2 2p_1/2^1 2p_3/2^0 (Re-) Define a new standard subshell list. > Start SCF process with hydrogenic orbitals. >> (Re-) Define a storage array for dealing with single-electron TTp B-spline matrices: JAC processes: Error During Test at /home/pkgeval/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:52 Test threw exception Expression: TestFrames.testModule_DielectronicRecombination() ArgumentError: invalid argument #11 to LAPACK call Stacktrace: [1] getindex(A::Vector{Float64}, i::Int64) @ Base /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/lapack.jl:29 [inlined] [2] sygvd!(itype::Int64, jobz::Char, uplo::Char, A::Matrix{Float64}, B::Matrix{Float64}) @ LinearAlgebra.LAPACK /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/lapack.jl:5511 [3] #eigen!#275 @ /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:254 [inlined] [4] eigen! @ /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:253 [inlined] [5] LinearAlgebra.Symmetric(A::Matrix{Float64}, uplo::Symbol) @ LinearAlgebra /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:250 [inlined] [6] LinearAlgebra.Symmetric(A::Matrix{Float64}) @ LinearAlgebra /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:248 [inlined] [7] diagonalize(sa::String, matrixA::Matrix{Float64}, matrixB::Matrix{Float64}) @ JenaAtomicCalculator.BasicsAZ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BascisAZ-inc-AG.jl:499 [8] generateOrbitals(subshells::Vector{Subshell}, pot::JenaAtomicCalculator.Radial.Potential, nm::Model, primitives::JenaAtomicCalculator.BsplinesN.Primitives; printout::Bool) @ JenaAtomicCalculator.BsplinesN ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:199 [9] generateOrbitals @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:179 [inlined] [10] _iterate_abstractarray(A::Vector{Configuration}, state::Int64) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:168 [inlined] [11] iterate(A::Vector{Configuration}, state::Int64) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:160 [inlined] [12] initializeBasis(configs::Vector{Configuration}, nuclearModel::Model, primitives::JenaAtomicCalculator.BsplinesN.Primitives, settings::AsfSettings; levelSymmetries::Vector{LevelSymmetry}, printout::Bool) @ JenaAtomicCalculator.SelfConsistent ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:274 [13] vect(::Type{JenaAtomicCalculator.Basics.DFSField}, ::Type{JenaAtomicCalculator.Basics.DFSwCPField}, ::Type{JenaAtomicCalculator.Basics.HSField}) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:223 [inlined] [14] performSCF(configs::Vector{Configuration}, nm::Model, grid::JenaAtomicCalculator.Radial.Grid, settings::AsfSettings; levelSymmetries::Vector{LevelSymmetry}, printout::Bool) @ JenaAtomicCalculator.SelfConsistent ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:312 [15] performSCF @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:306 [inlined] [16] perform(computation::JenaAtomicCalculator.Atomic.Computation; output::Bool) @ JenaAtomicCalculator.BasicsAZ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BascisAZ-inc-perform.jl:78 [17] vect(::Configuration, ::Configuration) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BascisAZ-inc-perform.jl:15 [inlined] [18] testModule_DielectronicRecombination(; short::Bool) @ JenaAtomicCalculator.TestFrames ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-TestFrames.jl:526 [19] testModule_DielectronicRecombination() @ JenaAtomicCalculator.TestFrames ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-TestFrames.jl:514 [20] top-level scope @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:5 [21] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2246 [inlined] [22] macro expansion @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:47 [inlined] [23] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2246 [inlined] [24] macro expansion @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:52 [inlined] [25] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:781 [inlined] [26] macro expansion @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:52 [inlined] Test the module Cascade for the StepwiseDecayScheme ... Cascade computation Cascade after neon 1s --> 3p excitation for a stepwise decay scheme, in JenaAtomicCalculator.Cascade.AverageSCA() approach as well as for Z = 10.0 and initial configurations: 1s^1 2s^2 2p^6 3p^1 , ... in addition, the following parameters/settings are defined: > cascade scheme: Stepwise decay (scheme) of an atomic cascade with: processes: JenaAtomicCalculator.Basics.AbstractProcess[Auger(), Radiative()] maxElectronLoss: 1 chargeStateShifts: Dict{Int64, Float64}() NoShakeDisplacements: 0 decayShells: Shell[1s, 2s, 2p, 3p] shakeFromShells: Shell[] shakeToShells: Shell[] > nuclearModel: Fermi nuclear model for Z = 10.0 with mass = 20.5, radius R = 2.8580081360657426 fm and nuclear spin I = 0, dipole moment mu = 0.0 and quadrupole moment Q = 0.0. > grid: Radial grid: rnt = 2.0e-5, h = 0.05, hp = 0.015, NoPoints = 896, ntL = 141, ntS = 143, orderL = 7, orderS = 8, nsL = 134, nsS = 135, mesh = JenaAtomicCalculator.Radial.MeshGL(), ... r: [1.7803442979210846e-7, 9.041945439686914e-7, 2.0785160238497323e-6] ... [9.473332164122244, 9.490413563951174, 9.500976115571474] wr: [4.529737957260826e-7, 9.784858938968317e-7, 1.3357458585116235e-6] ... [0.019429440293798585, 0.014232822158981969, 0.006588848666558417] tS: [0.0, 0.0, 0.0] ... [9.503565761874208, 9.503565761874208, 9.503565761874208] > asfSettings: generateScf: true eeInteraction: CoulombInteraction() scField: JenaAtomicCalculator.Basics.DFSField(1.0) startScfFrom: StartFromHydrogenic() maxIterationsScf: 24 accuracyScf: 1.0e-6 shellSequenceScf: Subshell[] frozenSubshells: Subshell[] eeInteractionCI: CoulombInteraction() qedModel : NoneQed() jjLS: false levelSelectionCI: Inactive LevelSelection. (Re-) Define the standard grid with 896 grid points. JAC cascades: Error During Test at /home/pkgeval/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:61 Test threw exception Expression: TestFrames.testModule_Cascade_StepwiseDecay() ArgumentError: invalid argument #11 to LAPACK call Stacktrace: [1] getindex(A::Vector{Float64}, i::Int64) @ Base /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/lapack.jl:29 [inlined] [2] sygvd!(itype::Int64, jobz::Char, uplo::Char, A::Matrix{Float64}, B::Matrix{Float64}) @ LinearAlgebra.LAPACK /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/lapack.jl:5511 [3] #eigen!#275 @ /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:254 [inlined] [4] eigen! @ /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:253 [inlined] [5] LinearAlgebra.Symmetric(A::Matrix{Float64}, uplo::Symbol) @ LinearAlgebra /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:250 [inlined] [6] LinearAlgebra.Symmetric(A::Matrix{Float64}) @ LinearAlgebra /opt/julia/share/julia/stdlib/v1.14/LinearAlgebra/src/symmetriceigen.jl:248 [inlined] [7] diagonalize(sa::String, matrixA::Matrix{Float64}, matrixB::Matrix{Float64}) @ JenaAtomicCalculator.BasicsAZ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BascisAZ-inc-AG.jl:499 [8] generateOrbitals(subshells::Vector{Subshell}, pot::JenaAtomicCalculator.Radial.Potential, nm::Model, primitives::JenaAtomicCalculator.BsplinesN.Primitives; printout::Bool) @ JenaAtomicCalculator.BsplinesN ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:199 [9] generateOrbitals @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:179 [inlined] [10] _iterate_abstractarray(A::Vector{Configuration}, state::Int64) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:168 [inlined] [11] iterate(A::Vector{Configuration}, state::Int64) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-BsplinesN.jl:160 [inlined] [12] initializeBasis(configs::Vector{Configuration}, nuclearModel::Model, primitives::JenaAtomicCalculator.BsplinesN.Primitives, settings::AsfSettings; levelSymmetries::Vector{LevelSymmetry}, printout::Bool) @ JenaAtomicCalculator.SelfConsistent ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:274 [13] vect(::Type{JenaAtomicCalculator.Basics.DFSField}, ::Type{JenaAtomicCalculator.Basics.DFSwCPField}, ::Type{JenaAtomicCalculator.Basics.HSField}) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:223 [inlined] [14] performSCF(configs::Vector{Configuration}, nm::Model, grid::JenaAtomicCalculator.Radial.Grid, settings::AsfSettings; levelSymmetries::Vector{LevelSymmetry}, printout::Bool) @ JenaAtomicCalculator.SelfConsistent ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:312 [15] !=(x::Vector{Configuration}, y::Vector{Configuration}) @ Base ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-SelfConsistent.jl:306 [inlined] [16] perform(scheme::JenaAtomicCalculator.Cascade.StepwiseDecayScheme, comp::JenaAtomicCalculator.Cascade.Computation; output::Bool, outputToFile::Bool) @ JenaAtomicCalculator.Cascade ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-Cascade-inc-stepwise-decay.jl:338 [17] perform @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-Cascade-inc-stepwise-decay.jl:330 [inlined] [18] #perform#3 @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-Cascade-inc-computations.jl:82 [inlined] [19] setDefaults(sa::String) @ JenaAtomicCalculator.Defaults ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-Cascade-inc-computations.jl:81 [inlined] [20] testModule_Cascade_StepwiseDecay(; short::Bool) @ JenaAtomicCalculator.TestFrames ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-TestFrames.jl:377 [21] testModule_Cascade_StepwiseDecay() @ JenaAtomicCalculator.TestFrames ~/.julia/packages/JenaAtomicCalculator/hnVAe/src/module-TestFrames.jl:364 [22] top-level scope @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:5 [23] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2246 [inlined] [24] macro expansion @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:61 [inlined] [25] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2246 [inlined] [26] macro expansion @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:61 [inlined] [27] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:781 [inlined] [28] macro expansion @ ~/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:61 [inlined] Test Summary: | Pass Error Total Time Name | 10 19 29 7m15.5s JAC methods | 1 1 7.4s JAC evaluations | 9 9 2m49.3s JAC representations | 3 3 1m17.1s JAC amplitudes | 2 2 2m51.7s JAC properties | 7 7 4.3s JAC processes | 6 6 3.5s JAC cascades | 1 1 2.0s RNG of the outermost testset: Random.Xoshiro(0x6293fde75f2c2507, 0x7f7608064b466857, 0x759407cadc7898cc, 0x0415ba0644f82cf5, 0x4972531c722394bb) ERROR: LoadError: Some tests did not pass: 10 passed, 0 failed, 19 errored, 0 broken. in expression starting at /home/pkgeval/.julia/packages/JenaAtomicCalculator/hnVAe/test/runtests.jl:4 ** On entry to DSYGVD parameter number 11 had an illegal value ** On entry to DSYGVD parameter number 11 had an illegal value ** On entry to DSYGVD parameter number 11 had an illegal value ** On entry to DSYGVD parameter number 11 had an illegal value ** On entry to DSYGVD parameter number 11 had an illegal value ** On entry to DSYGVD parameter number 11 had an illegal value ** On entry to DSYGVD parameter number 11 had an illegal value ** On entry to DSYGVD parameter number 11 had an illegal value ** On entry to DSYGVD parameter number 11 had an illegal value ** On entry to DSYGVD parameter number 11 had an illegal value ** On entry to DSYGVD parameter number 11 had an illegal value ** On entry to DSYGVD parameter number 11 had an illegal value ** On entry to DSYGVD parameter number 11 had an illegal value ** On entry to DSYGVD parameter number 11 had an illegal value ** On entry to DSYGVD parameter number 11 had an illegal value ** On entry to DSYGVD parameter number 11 had an illegal value ** On entry to DSYGVD parameter number 11 had an illegal value ** On entry to DSYGVD parameter number 11 had an illegal value ** On entry to DSYGVD parameter number 11 had an illegal value Testing failed after 491.39s ERROR: LoadError: Package JenaAtomicCalculator errored during testing Stacktrace: [1] pkgerror(msg::String) @ Pkg.Types /opt/julia/share/julia/stdlib/v1.14/Pkg/src/Types.jl:68 [2] test(ctx::Pkg.Types.Context, pkgs::Vector{PackageSpec}; coverage::Bool, julia_args::Cmd, test_args::Cmd, test_fn::Nothing, force_latest_compatible_version::Bool, allow_earlier_backwards_compatible_versions::Bool, allow_reresolve::Bool) @ Pkg.Operations /opt/julia/share/julia/stdlib/v1.14/Pkg/src/Operations.jl:3162 [3] Cmd(cmd::Cmd) @ Base /opt/julia/share/julia/stdlib/v1.14/Pkg/src/Operations.jl:3025 [inlined] [4] test(ctx::Pkg.Types.Context, pkgs::Vector{PackageSpec}; coverage::Bool, test_fn::Nothing, julia_args::Cmd, test_args::Cmd, force_latest_compatible_version::Bool, allow_earlier_backwards_compatible_versions::Bool, allow_reresolve::Bool, kwargs::@Kwargs{io::IOContext{IO}}) @ Pkg.API /opt/julia/share/julia/stdlib/v1.14/Pkg/src/API.jl:586 [5] test(pkgs::Vector{PackageSpec}; io::IOContext{IO}, kwargs::@Kwargs{julia_args::Cmd}) @ Pkg.API /opt/julia/share/julia/stdlib/v1.14/Pkg/src/API.jl:172 [6] test(pkgs::Vector{String}; kwargs::@Kwargs{julia_args::Cmd}) @ Pkg.API /opt/julia/share/julia/stdlib/v1.14/Pkg/src/API.jl:160 [7] test @ /opt/julia/share/julia/stdlib/v1.14/Pkg/src/API.jl:160 [inlined] [8] test(pkg::String; kwargs::@Kwargs{julia_args::Cmd}) @ Pkg.API /opt/julia/share/julia/stdlib/v1.14/Pkg/src/API.jl:159 [inlined] [9] top-level scope @ /PkgEval.jl/scripts/evaluate.jl:223 [10] include(mod::Module, _path::String) @ Base ./Base.jl:326 [11] exec_options(opts::Base.JLOptions) @ Base ./client.jl:352 [12] _start() @ Base ./client.jl:593 in expression starting at /PkgEval.jl/scripts/evaluate.jl:214 PkgEval failed after 1800.18s: package tests unexpectedly errored