Package evaluation to test Quiqbox on Julia 1.14.0-DEV.1886 (984ad247db*) started at 2026-03-12T20:39:55.807 ################################################################################ # Set-up # Installing PkgEval dependencies (TestEnv)... Activating project at `~/.julia/environments/v1.14` Set-up completed after 12.48s ################################################################################ # Installation # Installing Quiqbox... Resolving package versions... Updating `~/.julia/environments/v1.14/Project.toml` [7cb8c394] + Quiqbox v0.6.3 Updating `~/.julia/environments/v1.14/Manifest.toml` [861a8166] + Combinatorics v1.1.0 [34da2185] + Compat v4.18.1 [864edb3b] + DataStructures v0.19.3 [ffbed154] + DocStringExtensions v0.9.5 [19dc6840] + HCubature v1.8.0 [92d709cd] + IrrationalConstants v0.2.6 [692b3bcd] + JLLWrappers v1.7.1 [5be7bae1] + LBFGSB v0.4.1 [8ac3fa9e] + LRUCache v1.6.2 [2ab3a3ac] + LogExpFunctions v0.3.29 [bac558e1] + OrderedCollections v1.8.1 [65ce6f38] + PackageExtensionCompat v1.0.2 [aea7be01] + PrecompileTools v1.3.3 [21216c6a] + Preferences v1.5.2 [43287f4e] + PtrArrays v1.4.0 [1fd47b50] + QuadGK v2.11.2 [7cb8c394] + Quiqbox v0.6.3 [bf97046b] + SPGBox v0.7.2 [276daf66] + SpecialFunctions v2.7.1 [90137ffa] + StaticArrays v1.9.18 [1e83bf80] + StaticArraysCore v1.4.4 [10745b16] + Statistics v1.11.1 [5e0ebb24] + Strided v2.3.4 [4db3bf67] + StridedViews v0.4.6 [6aa20fa7] + TensorOperations v5.5.1 [1c621080] + TestItems v1.0.0 [9d95972d] + TupleTools v1.6.0 [409d34a3] + VectorInterface v0.5.0 [81d17ec3] + L_BFGS_B_jll v3.0.1+0 [efe28fd5] + OpenSpecFun_jll v0.5.6+0 [0dad84c5] + ArgTools v1.1.2 [56f22d72] + Artifacts v1.11.0 [2a0f44e3] + Base64 v1.11.0 [ade2ca70] + Dates v1.11.0 [f43a241f] + Downloads v1.7.0 [7b1f6079] + FileWatching 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 [ca575930] + NetworkOptions v1.3.0 [44cfe95a] + Pkg v1.14.0 [de0858da] + Printf v1.11.0 [9a3f8284] + Random v1.11.0 [ea8e919c] + SHA v1.0.0 [f489334b] + StyledStrings v1.13.0 [fa267f1f] + TOML v1.0.3 [a4e569a6] + Tar v1.10.0 [cf7118a7] + UUIDs v1.11.0 [4ec0a83e] + Unicode v1.11.0 [e66e0078] + CompilerSupportLibraries_jll v1.3.0+1 [deac9b47] + LibCURL_jll v8.18.0+1 [e37daf67] + LibGit2_jll v1.9.2+0 [29816b5a] + LibSSH2_jll v1.11.3+1 [14a3606d] + MozillaCACerts_jll v2025.12.2 [4536629a] + OpenBLAS_jll v0.3.30+0 [05823500] + OpenLibm_jll v0.8.7+0 [458c3c95] + OpenSSL_jll v3.5.5+0 [efcefdf7] + PCRE2_jll v10.47.0+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 v1.68.0+1 [3f19e933] + p7zip_jll v17.8.0+0 Installation completed after 5.35s ################################################################################ # Precompilation # Precompiling PkgEval dependencies... Precompiling package dependencies... Precompiling packages... 96738.2 ms ✓ Quiqbox 1 dependency successfully precompiled in 98 seconds. 86 already precompiled. Precompilation completed after 122.52s ################################################################################ # Testing # Testing Quiqbox Status `/tmp/jl_fEiPgV/Project.toml` [4c88cf16] Aqua v0.8.14 [861a8166] Combinatorics v1.1.0 [e30172f5] Documenter v1.17.0 [19dc6840] HCubature v1.8.0 [5be7bae1] LBFGSB v0.4.1 [8ac3fa9e] LRUCache v1.6.2 [aea7be01] PrecompileTools v1.3.3 [7cb8c394] Quiqbox v0.6.3 [bf97046b] SPGBox v0.7.2 [276daf66] SpecialFunctions v2.7.1 [10745b16] Statistics v1.11.1 [fd094767] Suppressor v0.2.8 [6aa20fa7] TensorOperations v5.5.1 [37e2e46d] LinearAlgebra v1.13.0 [de0858da] Printf v1.11.0 [9a3f8284] Random v1.11.0 [8dfed614] Test v1.11.0 Status `/tmp/jl_fEiPgV/Manifest.toml` [a4c015fc] ANSIColoredPrinters v0.0.1 [1520ce14] AbstractTrees v0.4.5 [4c88cf16] Aqua v0.8.14 [944b1d66] CodecZlib v0.7.8 [861a8166] Combinatorics v1.1.0 [34da2185] Compat v4.18.1 [864edb3b] DataStructures v0.19.3 [ffbed154] DocStringExtensions v0.9.5 [e30172f5] Documenter v1.17.0 [d7ba0133] Git v1.5.0 [19dc6840] HCubature v1.8.0 [b5f81e59] IOCapture v1.0.0 [92d709cd] IrrationalConstants v0.2.6 [692b3bcd] JLLWrappers v1.7.1 [682c06a0] JSON v1.4.0 [5be7bae1] LBFGSB v0.4.1 [8ac3fa9e] LRUCache v1.6.2 [0e77f7df] LazilyInitializedFields v1.3.0 [2ab3a3ac] LogExpFunctions v0.3.29 [d0879d2d] MarkdownAST v0.1.3 [bac558e1] OrderedCollections v1.8.1 [65ce6f38] PackageExtensionCompat v1.0.2 [69de0a69] Parsers v2.8.3 [aea7be01] PrecompileTools v1.3.3 [21216c6a] Preferences v1.5.2 [43287f4e] PtrArrays v1.4.0 [1fd47b50] QuadGK v2.11.2 [7cb8c394] Quiqbox v0.6.3 [2792f1a3] RegistryInstances v0.1.0 [bf97046b] SPGBox v0.7.2 [276daf66] SpecialFunctions v2.7.1 [90137ffa] StaticArrays v1.9.18 [1e83bf80] StaticArraysCore v1.4.4 [10745b16] Statistics v1.11.1 [5e0ebb24] Strided v2.3.4 [4db3bf67] StridedViews v0.4.6 [ec057cc2] StructUtils v2.6.3 [fd094767] Suppressor v0.2.8 [6aa20fa7] TensorOperations v5.5.1 [1c621080] TestItems v1.0.0 [3bb67fe8] TranscodingStreams v0.11.3 [9d95972d] TupleTools v1.6.0 [409d34a3] VectorInterface v0.5.0 [2e619515] Expat_jll v2.7.3+0 [020c3dae] Git_LFS_jll v3.7.0+0 [f8c6e375] Git_jll v2.53.0+0 [81d17ec3] L_BFGS_B_jll v3.0.1+0 [94ce4f54] Libiconv_jll v1.18.0+0 [9bd350c2] OpenSSH_jll v10.2.1+0 [efe28fd5] OpenSpecFun_jll v0.5.6+0 [0dad84c5] ArgTools v1.1.2 [56f22d72] Artifacts v1.11.0 [2a0f44e3] Base64 v1.11.0 [ade2ca70] Dates 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 [ca575930] NetworkOptions v1.3.0 [44cfe95a] Pkg v1.14.0 [de0858da] Printf 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 [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 v1.3.0+1 [deac9b47] LibCURL_jll v8.18.0+1 [e37daf67] LibGit2_jll v1.9.2+0 [29816b5a] LibSSH2_jll v1.11.3+1 [14a3606d] MozillaCACerts_jll v2025.12.2 [4536629a] OpenBLAS_jll v0.3.30+0 [05823500] OpenLibm_jll v0.8.7+0 [458c3c95] OpenSSL_jll v3.5.5+0 [efcefdf7] PCRE2_jll v10.47.0+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 v1.68.0+1 [3f19e933] p7zip_jll v17.8.0+0 Testing Running tests... Number of threads used for testing: 1 Testing Utility Components... Utility Components test finished in 67.030157746 seconds. Testing Core Framework... Query.jl: Test Failed at /home/pkgeval/.julia/packages/Quiqbox/lEmMZ/test/unit-tests/Query-test.jl:122 Expression: collect(ed1) == [false => 1.0, true => 2.0] Evaluated: Pair{Bool, Float64}[1 => 2.0, 0 => 1.0] == Pair{Bool, Float64}[0 => 1.0, 1 => 2.0] Stacktrace: [1] top-level scope @ ~/.julia/packages/Quiqbox/lEmMZ/test/unit-tests/Query-test.jl:8 [2] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2243 [inlined] [3] macro expansion @ ~/.julia/packages/Quiqbox/lEmMZ/test/unit-tests/Query-test.jl:122 [inlined] [4] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:781 [inlined] Query.jl: Test Failed at /home/pkgeval/.julia/packages/Quiqbox/lEmMZ/test/unit-tests/Query-test.jl:123 Expression: all((ele == Pair(Bool(i - 1), i) for (ele, i) = zip(ed1, 1:length(ed1)))) Evaluated: all(Base.Generator{Base.Iterators.Zip{Tuple{EncodedDict{Bool, Float64, Int64, var"#edEncoder#edEncoder##0"}, UnitRange{Int64}}}, var"#83#84"}(var"#83#84"(), zip(EncodedDict{Bool, Float64, Int64, var"#edEncoder#edEncoder##0"}(1 => 2.0, 0 => 1.0), 1:2))) Stacktrace: [1] top-level scope @ ~/.julia/packages/Quiqbox/lEmMZ/test/unit-tests/Query-test.jl:8 [2] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:2243 [inlined] [3] macro expansion @ ~/.julia/packages/Quiqbox/lEmMZ/test/unit-tests/Query-test.jl:123 [inlined] [4] macro expansion @ /opt/julia/share/julia/stdlib/v1.14/Test/src/Test.jl:781 [inlined] Core Framework test finished in 26.632644708 seconds. Testing Function-Composition System... Function-Composition System test finished in 132.282956768 seconds. Testing Numerical-Computation System... Numerical-Computation System test finished in 9.179197719 seconds. Testing Basis-Construction System... Basis-Construction System test finished in 64.307461809 seconds. Testing Differentiation System... Differentiation System test finished in 6.071406538 seconds. Testing Integration System... Integration System test finished in 2049.630294533 seconds. Testing Ab Initio Computation System... ====================================================================================== Information request received. A stacktrace will print followed by a 1.0 second profile. --trace-compile is enabled during profile collection. ====================================================================================== cmd: /opt/julia/bin/julia 16 running 1 of 1 signal (10): User defined signal 1 large_gam at /opt/julia/bin/../lib/julia/libopenlibm.so (unknown line) tgamma at /opt/julia/bin/../lib/julia/libopenlibm.so (unknown line) _gamma at /home/pkgeval/.julia/packages/SpecialFunctions/SJAsJ/src/gamma.jl:602 [inlined] gamma at /home/pkgeval/.julia/packages/SpecialFunctions/SJAsJ/src/gamma.jl:592 [inlined] rgammax at /home/pkgeval/.julia/packages/SpecialFunctions/SJAsJ/src/gamma_inc.jl:77 gamma_inc_asym at /home/pkgeval/.julia/packages/SpecialFunctions/SJAsJ/src/gamma_inc.jl:492 _gamma_inc_choose_algorithm at /home/pkgeval/.julia/packages/SpecialFunctions/SJAsJ/src/gamma_inc.jl:976 [inlined] _gamma_inc at /home/pkgeval/.julia/packages/SpecialFunctions/SJAsJ/src/gamma_inc.jl:928 gamma_inc at /home/pkgeval/.julia/packages/SpecialFunctions/SJAsJ/src/gamma_inc.jl:858 [inlined] gamma_inc at /home/pkgeval/.julia/packages/SpecialFunctions/SJAsJ/src/gamma_inc.jl:858 [inlined] directComputeBoysFunc at /home/pkgeval/.julia/packages/Quiqbox/lEmMZ/src/Integration/Engines/BoysFunction.jl:11 ComputeBoysOrderN at /home/pkgeval/.julia/packages/Quiqbox/lEmMZ/src/Integration/Engines/BoysFunction.jl:47 [inlined] computeBoysFunc at /home/pkgeval/.julia/packages/Quiqbox/lEmMZ/src/Integration/Engines/BoysFunction.jl:63 [inlined] computeBoysSequence at /home/pkgeval/.julia/packages/Quiqbox/lEmMZ/src/Integration/Engines/BoysFunction.jl:71 computeBoysSequence at /home/pkgeval/.julia/packages/Quiqbox/lEmMZ/src/Integration/Engines/BoysFunction.jl:69 [inlined] getInitialBuffer! at /home/pkgeval/.julia/packages/Quiqbox/lEmMZ/src/Integration/Engines/GaussianOrbitals.jl:482 computePGTOrbTwoBodyRepulsion! at /home/pkgeval/.julia/packages/Quiqbox/lEmMZ/src/Integration/Engines/GaussianOrbitals.jl:642 computePGTOrbIntegral at /home/pkgeval/.julia/packages/Quiqbox/lEmMZ/src/Integration/Engines/GaussianOrbitals.jl:727 [inlined] evaluateIntegralCore! at /home/pkgeval/.julia/packages/Quiqbox/lEmMZ/src/Integration/Engines/GaussianOrbitals.jl:797 [inlined] getIntegralValue! at /home/pkgeval/.julia/packages/Quiqbox/lEmMZ/src/Integration/Framework.jl:408 getOrbLayoutIntegralCore! at /home/pkgeval/.julia/packages/Quiqbox/lEmMZ/src/Integration/Framework.jl:492 evalSetInteTensorEntry! at /home/pkgeval/.julia/packages/Quiqbox/lEmMZ/src/Integration/Framework.jl:522 [inlined] getOrbVectorIntegralCore! at /home/pkgeval/.julia/packages/Quiqbox/lEmMZ/src/Integration/Framework.jl:572 evalOrbIntegralInfo! at /home/pkgeval/.julia/packages/Quiqbox/lEmMZ/src/Integration/Framework.jl:755 [inlined] #computeOrbDataIntegral#246 at /home/pkgeval/.julia/packages/Quiqbox/lEmMZ/src/Integration/Framework.jl:830 computeOrbDataIntegral at /home/pkgeval/.julia/packages/Quiqbox/lEmMZ/src/Integration/Framework.jl:823 [inlined] initializeHartreeFock at /home/pkgeval/.julia/packages/Quiqbox/lEmMZ/src/HartreeFock.jl:190 unknown function (ip: 0x7859a837bcc4) at (unknown file) _jl_invoke at /source/src/gf.c:4113 [inlined] ijl_apply_generic at /source/src/gf.c:4339 #runHartreeFock#313 at /home/pkgeval/.julia/packages/Quiqbox/lEmMZ/src/HartreeFock.jl:994 runHartreeFock at /home/pkgeval/.julia/packages/Quiqbox/lEmMZ/src/HartreeFock.jl:969 [inlined] #runHartreeFock#312 at /home/pkgeval/.julia/packages/Quiqbox/lEmMZ/src/HartreeFock.jl:965 [inlined] runHartreeFock at /home/pkgeval/.julia/packages/Quiqbox/lEmMZ/src/HartreeFock.jl:958 [inlined] #runHartreeFock#311 at /home/pkgeval/.julia/packages/Quiqbox/lEmMZ/src/HartreeFock.jl:955 [inlined] runHartreeFock at /home/pkgeval/.julia/packages/Quiqbox/lEmMZ/src/HartreeFock.jl:950 unknown function (ip: 0x785981351c82) at (unknown file) _jl_invoke at /source/src/gf.c:4113 [inlined] ijl_apply_generic at /source/src/gf.c:4339 macro expansion at /home/pkgeval/.julia/packages/Quiqbox/lEmMZ/test/unit-tests/HartreeFock-test.jl:339 [inlined] macro expansion at /home/pkgeval/.julia/packages/Suppressor/cKnGx/src/Suppressor.jl:165 [inlined] macro expansion at /home/pkgeval/.julia/packages/Quiqbox/lEmMZ/test/unit-tests/HartreeFock-test.jl:337 [inlined] macro expansion at /source/usr/share/julia/stdlib/v1.14/Test/src/Test.jl:2243 [inlined] top-level scope at /home/pkgeval/.julia/packages/Quiqbox/lEmMZ/test/unit-tests/HartreeFock-test.jl:7 jl_invoke_oneshot at /source/src/gf.c:4148 ijl_eval_thunk at /source/src/toplevel.c:758 jl_toplevel_eval_flex at /source/src/toplevel.c:712 jl_eval_toplevel_stmts at /source/src/toplevel.c:602 jl_toplevel_eval_flex at /source/src/toplevel.c:684 ijl_toplevel_eval at /source/src/toplevel.c:780 ijl_toplevel_eval_in at /source/src/toplevel.c:825 eval at ./boot.jl:517 include_string at ./loading.jl:3131 _jl_invoke at /source/src/gf.c:4113 [inlined] ijl_apply_generic at /source/src/gf.c:4339 _include at ./loading.jl:3191 include at ./Base.jl:324 IncludeInto at ./Base.jl:325 jfptr_IncludeInto_1.1 at /opt/julia/lib/julia/sys.so (unknown line) _jl_invoke at /source/src/gf.c:4113 [inlined] ijl_apply_generic at /source/src/gf.c:4339 macro expansion at /home/pkgeval/.julia/packages/Quiqbox/lEmMZ/test/runtests.jl:77 [inlined] macro expansion at /source/usr/share/julia/stdlib/v1.14/Test/src/Test.jl:2243 [inlined] macro expansion at /home/pkgeval/.julia/packages/Quiqbox/lEmMZ/test/runtests.jl:77 [inlined] macro expansion at ./timing.jl:503 [inlined] macro expansion at /home/pkgeval/.julia/packages/Quiqbox/lEmMZ/test/runtests.jl:76 [inlined] macro expansion at /source/usr/share/julia/stdlib/v1.14/Test/src/Test.jl:2243 [inlined] top-level scope at /home/pkgeval/.julia/packages/Quiqbox/lEmMZ/test/runtests.jl:6 jl_invoke_oneshot at /source/src/gf.c:4148 ijl_eval_thunk at /source/src/toplevel.c:758 jl_toplevel_eval_flex at /source/src/toplevel.c:712 jl_eval_toplevel_stmts at /source/src/toplevel.c:602 jl_toplevel_eval_flex at /source/src/toplevel.c:684 ijl_toplevel_eval at /source/src/toplevel.c:780 ijl_toplevel_eval_in at /source/src/toplevel.c:825 eval at ./boot.jl:517 include_string at ./loading.jl:3131 _jl_invoke at /source/src/gf.c:4113 [inlined] ijl_apply_generic at /source/src/gf.c:4339 _include at ./loading.jl:3191 include at ./Base.jl:324 IncludeInto at ./Base.jl:325 jfptr_IncludeInto_1.1 at /opt/julia/lib/julia/sys.so (unknown line) _jl_invoke at /source/src/gf.c:4113 [inlined] ijl_apply_generic at /source/src/gf.c:4339 jl_apply at /source/src/julia.h:2300 [inlined] do_call at /source/src/interpreter.c:123 eval_value at /source/src/interpreter.c:243 eval_stmt_value at /source/src/interpreter.c:194 [inlined] eval_body at /source/src/interpreter.c:693 jl_interpret_toplevel_thunk at /source/src/interpreter.c:884 ijl_eval_thunk at /source/src/toplevel.c:766 jl_toplevel_eval_flex at /source/src/toplevel.c:712 jl_eval_toplevel_stmts at /source/src/toplevel.c:602 jl_toplevel_eval_flex at /source/src/toplevel.c:684 ijl_toplevel_eval at /source/src/toplevel.c:780 ijl_toplevel_eval_in at /source/src/toplevel.c:825 eval at ./boot.jl:517 exec_options at ./client.jl:310 _start at ./client.jl:585 jfptr__start_0.1 at /opt/julia/lib/julia/sys.so (unknown line) _jl_invoke at /source/src/gf.c:4113 [inlined] ijl_apply_generic at /source/src/gf.c:4339 jl_apply at /source/src/julia.h:2300 [inlined] true_main at /source/src/jlapi.c:971 jl_repl_entrypoint at /source/src/jlapi.c:1138 main at /source/cli/loader_exe.c:58 unknown function (ip: 0x7859f044b249) at /lib/x86_64-linux-gnu/libc.so.6 __libc_start_main at /lib/x86_64-linux-gnu/libc.so.6 (unknown line) unknown function (ip: 0x4010b8) at /workspace/srcdir/glibc-2.17/csu/../sysdeps/x86_64/start.S unknown function (ip: (nil)) at (unknown file) ============================================================== Profile collected. A report will print at the next yield point. Disabling --trace-compile ============================================================== ====================================================================================== Information request received. A stacktrace will print followed by a 1.0 second profile. --trace-compile is enabled during profile collection. ====================================================================================== cmd: /opt/julia/bin/julia 1 running 0 of 1 signal (10): User defined signal 1 epoll_pwait at /lib/x86_64-linux-gnu/libc.so.6 (unknown line) uv__io_poll at /workspace/srcdir/libuv/src/unix/linux.c:1404 uv_run at /workspace/srcdir/libuv/src/unix/core.c:430 ijl_task_get_next at /source/src/scheduler.c:457 wait at ./task.jl:1246 wait_forever at ./task.jl:1168 jfptr_wait_forever_0.1 at /opt/julia/lib/julia/sys.so (unknown line) _jl_invoke at /source/src/gf.c:4113 [inlined] ijl_apply_generic at /source/src/gf.c:4339 jl_apply at /source/src/julia.h:2300 [inlined] start_task at /source/src/task.c:1275 unknown function (ip: (nil)) at (unknown file) ============================================================== Profile collected. A report will print at the next yield point. Disabling --trace-compile ============================================================== ┌ Warning: There were no samples collected in one or more groups. │ This may be due to idle threads, or you may need to run your │ program longer (perhaps by running it multiple times), │ or adjust the delay between samples with `Profile.init()`. └ @ Profile /opt/julia/share/julia/stdlib/v1.14/Profile/src/Profile.jl:1361 Overhead ╎ [+additional indent] Count File:Line Function ========================================================= Thread 1 (default) Task 0x00007859d5dfc010 Total snapshots: 68. Utilization: 100% ╎68 @Base/client.jl:585 _start() ╎ 68 @Base/client.jl:310 exec_options(opts::Base.JLOptions) ╎ 68 @Base/boot.jl:517 eval(m::Module, e::Any) ╎ 68 @Base/Base.jl:325 (::Base.IncludeInto)(fname::String) ╎ 68 @Base/Base.jl:324 include(mapexpr::Function, mod::Module, _path::Stri… ╎ 68 @Base/loading.jl:3191 _include(mapexpr::Function, mod::Module, _path… ╎ ╎ 68 @Base/loading.jl:3131 include_string(mapexpr::typeof(identity), mod… ╎ ╎ 68 @Base/boot.jl:517 eval(m::Module, e::Any) ╎ ╎ 68 @Quiqbox/…/runtests.jl:6 top-level scope ╎ ╎ 68 @Test/src/Test.jl:2243 macro expansion ╎ ╎ 68 @Quiqbox/…runtests.jl:76 macro expansion ╎ ╎ ╎ 68 @Base/timing.jl:503 macro expansion ╎ ╎ ╎ 68 @Quiqbox/…untests.jl:77 macro expansion ╎ ╎ ╎ 68 @Test/src/Test.jl:2243 macro expansion ╎ ╎ ╎ 68 @Quiqbox/…ntests.jl:77 macro expansion ╎ ╎ ╎ 68 @Base/Base.jl:325 (::Base.IncludeInto)(fname::String) ╎ ╎ ╎ ╎ 68 @Base/Base.jl:324 include(mapexpr::Function, mod::Module,… ╎ ╎ ╎ ╎ 68 @Base/loading.jl:3191 _include(mapexpr::Function, mod::M… ╎ ╎ ╎ ╎ 68 @Base/loading.jl:3131 include_string(mapexpr::typeof(id… ╎ ╎ ╎ ╎ 68 @Base/boot.jl:517 eval(m::Module, e::Any) ╎ ╎ ╎ ╎ 68 @Quiqbox/…test.jl:7 top-level scope ╎ ╎ ╎ ╎ ╎ 68 @Test/…c/Test.jl:2243 macro expansion ╎ ╎ ╎ ╎ ╎ 68 @Quiqbox/…est.jl:337 macro expansion ╎ ╎ ╎ ╎ ╎ 68 @Suppressor/…jl:165 macro expansion ╎ ╎ ╎ ╎ ╎ 68 @Quiqbox/…st.jl:339 macro expansion ╎ ╎ ╎ ╎ ╎ 68 @Quiqbox/…k.jl:950 kwcall(::@NamedTuple{printInf… ╎ ╎ ╎ ╎ ╎ ╎ 68 @Quiqbox/…k.jl:955 #runHartreeFock#311 ╎ ╎ ╎ ╎ ╎ ╎ 68 @Quiqbox/…k.jl:958 runHartreeFock ╎ ╎ ╎ ╎ ╎ ╎ 68 @Quiqbox/….jl:965 #runHartreeFock#312 ╎ ╎ ╎ ╎ ╎ ╎ 68 @Quiqbox/….jl:969 runHartreeFock ╎ ╎ ╎ ╎ ╎ ╎ 68 @Quiqbox/…jl:994 runHartreeFock(systemInfo:… ╎ ╎ ╎ ╎ ╎ ╎ ╎ 68 @Quiqbox/…jl:190 initializeHartreeFock(coe… ╎ ╎ ╎ ╎ ╎ ╎ ╎ 68 @Quiqbox/…jl:823 computeOrbDataIntegral ╎ ╎ ╎ ╎ ╎ ╎ ╎ 68 @Quiqbox/…jl:830 computeOrbDataIntegral(… ╎ ╎ ╎ ╎ ╎ ╎ ╎ 68 @Quiqbox/…jl:755 evalOrbIntegralInfo! ╎ ╎ ╎ ╎ ╎ ╎ ╎ 68 @Quiqbox/…jl:572 getOrbVectorIntegralC… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 68 @Quiqbox/…jl:522 evalSetInteTensorEnt… 1╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ay.jl:0 getOrbLayoutIntegralC… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 67 @Quiqbox/…jl:492 getOrbLayoutIntegra… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 10 @Quiqbox/…jl:404 getIntegralValue!(… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 10 @LRUCache/…l:117 get 1╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/…ck.jl:333 lock(f::LRUCache… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 9 @Base/…ck.jl:335 lock(f::LRUCache… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +1 9 @LRUCache/…l:118 (::LRUCache.var"… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +2 9 @LRUCache/…l:110 _unsafe_haskey ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +3 9 @Base/…ct.jl:550 haskey 3╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +4 3 @Base/…ct.jl:0 ht_keyindex(h::Dic… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +4 4 @Base/…ct.jl:244 ht_keyindex(h::D… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +5 4 @Base/…ct.jl:129 hashindex ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +6 4 @Base/…ng.jl:40 hash ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +7 4 @Base/…le.jl:579 hash ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +8 4 @Base/…le.jl:579 hash ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +9 1 @Base/…ng.jl:46 hash 1╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +10 1 @Base/…ls.jl:897 objectid ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +9 3 @Base/…le.jl:579 hash ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +10 3 @Base/…ng.jl:46 hash ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +11 1 @Base/…ng.jl:75 hash ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +12 1 @Base/…ng.jl:63 hash_64_64 ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +13 1 @Base/…ng.jl:58 hash_finalizer 1╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +14 1 @Base/int.jl:88 * 2╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +11 2 @Base/…ls.jl:897 objectid ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +4 2 @Base/…ct.jl:248 ht_keyindex(h::D… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +5 2 @Base/…ct.jl:134 isslotempty 2╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +6 2 @Base/…on.jl:637 == ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Quiqbox/…jl:406 getIntegralValue!(… 1╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @Quiqbox/…jl:418 configureIntegrat… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 42 @Quiqbox/…jl:408 getIntegralValue!(… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 42 @Quiqbox/…jl:797 evaluateIntegralC… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 42 @Quiqbox/…jl:727 computePGTOrbInt… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +1 1 @Quiqbox/…jl:638 computePGTOrbTwo… 1╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +2 1 @Base/…at.jl:495 / ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +1 1 @Quiqbox/…jl:639 computePGTOrbTwo… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +2 1 @Base/…fr.jl:553 Float64 ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +3 1 @Base/…fr.jl:553 Float64 1╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +4 1 @Base/…ts.jl:123 Base.MPFR.BigFlo… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +1 12 @Quiqbox/…jl:642 computePGTOrbTwo… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +2 1 @Quiqbox/…jl:480 getInitialBuffer… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +3 1 @LRUCache/…l:117 get ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +4 1 @Base/…ck.jl:335 lock(f::LRUCache… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +5 1 @LRUCache/…l:119 (::LRUCache.var"… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +6 1 @LRUCache/…l:190 _unsafe_getindex ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +7 1 @LRUCache/…l:172 _move_to_front! 1╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +8 1 @Base/…er.jl:62 setproperty! ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +2 8 @Quiqbox/…jl:482 getInitialBuffer… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +3 8 @Quiqbox/…jl:69 computeBoysSequen… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +4 1 @Quiqbox/…jl:70 computeBoysSequen… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +5 1 @Quiqbox/…jl:63 computeBoysFunc ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +6 1 @Quiqbox/…jl:63 computeBoysFunc ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +7 1 @Quiqbox/…jl:57 computeBoysOrder0… 1╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +8 1 @Base/…ct.jl:832 getindex ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +4 7 @Quiqbox/…jl:71 computeBoysSequen… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +5 7 @Quiqbox/…jl:63 computeBoysFunc ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +6 1 @Quiqbox/…jl:46 ComputeBoysOrderN ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +7 1 @Quiqbox/…jl:29 initializeUpperOr… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +8 1 @Base/…rs.jl:1104 ComposedFunction ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +9 1 @Base/…rs.jl:1104 #_#53 ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +10 1 @Base/…rs.jl:1107 call_composed ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +11 1 @Base/…rs.jl:1108 call_composed ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +12 1 @Base/…th.jl:333 log ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +13 1 @Base/…th.jl:288 log ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +14 1 @Base/…og.jl:261 log(x::Float64) 1╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +15 1 @Base/…og.jl:266 _log ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +6 5 @Quiqbox/…jl:47 ComputeBoysOrderN ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +7 3 @Quiqbox/…jl:11 directComputeBoys… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +8 3 @SpecialFunctions/…:858 gamma_inc ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +9 3 @SpecialFunctions/…:858 gamma_inc ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +10 2 @SpecialFunctions/…:928 _gamma_in… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +11 2 @SpecialFunctions/…:963 _gamma_in… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +12 1 @SpecialFunctions/…:72 rgammax(a:… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +13 1 @LogExpFunctions/…:324 logmxp1(x:… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +14 1 @Base/…og.jl:261 log(x::Float64) ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +15 1 @Base/…og.jl:287 _log 1╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +16 1 @Base/…at.jl:493 - ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +12 1 @SpecialFunctions/…:77 rgammax(a:… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +13 1 @SpecialFunctions/…:592 gamma 1╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +14 1 @SpecialFunctions/…:602 _gamma 1╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +10 1 @SpecialFunctions/…:930 _gamma_in… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +7 2 @Quiqbox/…jl:17 directComputeBoys… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +8 2 @Base/…al.jl:591 ^ ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +9 2 @Base/…ow.jl:29 ^(x::Float64, y::… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +10 2 @Base/…ow.jl:101 pow_body(x::Floa… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +11 1 @Base/…xp.jl:245 exp_impl 1╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +12 1 @Base/…cs.jl:360 fma ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +11 1 @Base/…xp.jl:246 exp_impl 1╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +12 1 @Base/…at.jl:698 abs ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +6 1 @Quiqbox/…jl:48 ComputeBoysOrderN 1╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +7 1 @Quiqbox/…jl:38 recursiveGetBoysF… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +2 3 @Quiqbox/…jl:483 getInitialBuffer… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +3 3 @LRUCache/…l:215 setindex!(lru::L… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +4 2 @Base/…ck.jl:333 lock(f::LRUCache… 1╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +5 1 @Base/…mt.jl:76 lock(l::Base.Thre… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +5 1 @Base/…mt.jl:78 lock(l::Base.Thre… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +6 1 @Base/…mt.jl:91 trylock 1╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +7 1 @Base/…on.jl:637 == ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +4 1 @Base/…ck.jl:335 lock(f::LRUCache… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +5 1 @LRUCache/…l:238 (::LRUCache.var"… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +6 1 @LRUCache/…l:246 _unsafe_resize! ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +7 1 @LRUCache/…l:249 _unsafe_resize!(… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +8 1 @Base/…ct.jl:584 pop! ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +9 1 @Base/…ct.jl:257 ht_keyindex(h::D… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +10 1 @Base/…rs.jl:424 > 1╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +11 1 @Base/int.jl:83 < ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +1 1 @Quiqbox/…jl:654 computePGTOrbTwo… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +2 1 @Quiqbox/…jl:413 verticalFill!(ho… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +3 1 @Base/…ay.jl:333 getindex ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +4 1 @Base/…ls.jl:385 checkbounds ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +5 1 @Base/…ay.jl:692 checkbounds ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +6 1 @Base/…ay.jl:753 checkindex 1╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +7 1 @Base/int.jl:559 < ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +1 10 @Quiqbox/…jl:660 computePGTOrbTwo… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +2 6 @Quiqbox/…jl:595 orbitalShift!(bu… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +3 1 @Quiqbox/…jl:99 angularCross!(hol… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +4 1 @Base/…ge.jl:5 Colon ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +5 1 @Base/…ge.jl:417 UnitRange 1╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +6 1 @Base/…ge.jl:428 unitrange_last 1╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +3 1 @Quiqbox/…jl:553 angularCross!(ho… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +3 4 @Quiqbox/…jl:560 angularCross!(ho… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +4 4 @Base/…st.jl:905 materialize! ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +5 4 @Base/…st.jl:908 materialize! ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +6 4 @Base/…st.jl:950 copyto! 2╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +7 4 @Base/…st.jl:991 copyto! ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +8 2 @Base/…ay.jl:1076 copyto!(dest::S… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +9 2 @Base/…ay.jl:1096 copyto_unaliase… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +10 2 @Base/…ay.jl:334 getindex 2╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +11 2 @Base/…ls.jl:397 getindex 1╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +2 2 @Quiqbox/…jl:596 orbitalShift!(bu… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +3 1 @Base/…ay.jl:325 eachindex ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +4 1 @Base/…ay.jl:521 axes1 ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +5 1 @Base/…ay.jl:527 _axes1_sub ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +6 1 @Base/…ay.jl:141 axes1 ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +7 1 @Base/…ay.jl:102 axes ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +8 1 @Base/…ge.jl:692 size ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +9 1 @Base/…ge.jl:785 length 1╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +10 1 @Base/…ls.jl:1214 - ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +2 2 @Quiqbox/…jl:601 orbitalShift!(bu… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +3 2 @Quiqbox/…jl:459 angularShift!(ho… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +4 2 @Base/…ay.jl:455 first ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +5 2 @Base/…ay.jl:334 getindex 2╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +6 2 @Base/…ls.jl:397 getindex ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +1 3 @Quiqbox/…jl:663 computePGTOrbTwo… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +2 3 @Base/…st.jl:905 materialize! ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +3 3 @Base/…st.jl:908 materialize! ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +4 3 @Base/…st.jl:950 copyto! ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +5 3 @Base/…st.jl:991 copyto! 1╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +6 1 @Base/…ay.jl:0 copyto!(dest::SubA… 1╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +6 1 @Base/…ay.jl:1069 copyto!(dest::S… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +6 1 @Base/…ay.jl:1076 copyto!(dest::S… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +7 1 @Base/…ay.jl:1096 copyto_unaliase… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +8 1 @Base/…ay.jl:393 setindex! ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +9 1 @Base/…ry.jl:270 setindex! 1╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +10 1 @Base/…ry.jl:262 _setindex! ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +1 13 @Quiqbox/…jl:666 computePGTOrbTwo… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +2 9 @Quiqbox/…jl:595 orbitalShift!(bu… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +3 1 @Quiqbox/…jl:99 angularCross!(hol… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +4 1 @Base/…ay.jl:218 view ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +5 1 @Base/…ay.jl:251 unsafe_view ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +6 1 @Base/…ay.jl:28 SubArray 1╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +7 1 @Base/…al.jl:919 ensure_indexable ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +3 7 @Quiqbox/…jl:560 angularCross!(ho… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +4 7 @Base/…st.jl:905 materialize! ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +5 7 @Base/…st.jl:908 materialize! ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +6 7 @Base/…st.jl:950 copyto! 1╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +7 7 @Base/…st.jl:991 copyto! 2╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +8 2 @Base/…ay.jl:0 copyto!(dest::SubA… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +8 4 @Base/…ay.jl:1075 copyto!(dest::S… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +9 4 @Base/…ay.jl:1544 unalias ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +10 3 @Base/…al.jl:1133 mightalias ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +11 3 @Base/…ay.jl:1604 dataids 3╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +12 3 @Base/…ls.jl:897 objectid ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +10 1 @Base/…al.jl:1135 mightalias ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +11 1 @Base/…ay.jl:1588 _isdisjoint ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +12 1 @Base/…rs.jl:320 != 1╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +13 1 @Base/…on.jl:637 == ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +3 1 @Quiqbox/…jl:572 angularCross!(ho… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +4 1 @Base/…ay.jl:380 setindex! 1╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +5 1 @Base/…ls.jl:385 checkbounds ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +2 1 @Quiqbox/…jl:596 orbitalShift!(bu… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +3 1 @Base/…rs.jl:415 iterate ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +4 1 @Base/…rs.jl:425 _zip_iterate_all 1╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +5 1 @Base/…rs.jl:434 _zip_iterate_some ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +2 2 @Quiqbox/…jl:597 orbitalShift!(bu… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +3 1 @Quiqbox/…jl:455 angularShift!(ho… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +4 1 @Base/…ge.jl:5 Colon ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +5 1 @Base/…ge.jl:417 UnitRange 1╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +6 1 @Base/…ge.jl:428 unitrange_last ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +3 1 @Quiqbox/…jl:459 angularShift!(ho… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +4 1 @Base/…ay.jl:455 first ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +5 1 @Base/…ay.jl:334 getindex ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +6 1 @Quiqbox/…jl:214 getindex 1╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +7 1 @Base/…ls.jl:397 getindex ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +2 1 @Quiqbox/…jl:601 orbitalShift!(bu… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +3 1 @Quiqbox/…jl:456 angularShift!(ho… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +4 1 @Base/…ay.jl:334 getindex ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +5 1 @Base/…ls.jl:396 getindex ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +6 1 @Base/…ls.jl:385 checkbounds ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +1 1 @Quiqbox/…jl:672 computePGTOrbTwo… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +2 1 @Base/…ay.jl:530 last ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +3 1 @Base/…ls.jl:396 getindex ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +4 1 @Base/…ls.jl:385 checkbounds 1╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +5 1 @Base/…ls.jl:381 checkbounds ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 14 @Quiqbox/…jl:411 getIntegralValue!(… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 12 @LRUCache/…l:215 setindex!(lru::LR… 2╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 12 @Base/…ck.jl:335 lock(f::LRUCache… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +1 3 @LRUCache/…l:216 (::LRUCache.var"… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +2 3 @LRUCache/…l:110 _unsafe_haskey ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +3 3 @Base/…ct.jl:550 haskey 1╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +4 1 @Base/…ct.jl:0 ht_keyindex(h::Dic… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +4 2 @Base/…ct.jl:244 ht_keyindex(h::D… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +5 2 @Base/…ct.jl:129 hashindex ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +6 2 @Base/…ng.jl:40 hash ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +7 2 @Base/…le.jl:579 hash ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +8 2 @Base/…le.jl:579 hash ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +9 2 @Base/…le.jl:579 hash ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +10 2 @Base/…ng.jl:46 hash 2╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +11 2 @Base/…ls.jl:897 objectid ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +1 4 @LRUCache/…l:236 (::LRUCache.var"… 3╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +2 3 @LRUCache/…l:204 _unsafe_addindex… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +2 1 @LRUCache/…l:207 _unsafe_addindex… 1╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +3 1 @LRUCache/…l:10 LinkedNode ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +1 3 @LRUCache/…l:238 (::LRUCache.var"… 2╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +2 3 @LRUCache/…l:246 _unsafe_resize! 1╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ +3 1 @LRUCache/…l:255 _unsafe_resize!(… ╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 2 @LRUCache/…l:240 setindex!(lru::LR… 1╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @LRUCache/…l:312 _finalize_evicti… 1╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 @LRUCache/…l:316 _finalize_evicti… ┌ Warning: There were no samples collected in one or more groups. │ This may be due to idle threads, or you may need to run your │ program longer (perhaps by running it multiple times), │ or adjust the delay between samples with `Profile.init()`. └ @ Profile /opt/julia/share/julia/stdlib/v1.14/Profile/src/Profile.jl:1361 Overhead ╎ [+additional indent] Count File:Line Function ========================================================= Thread 1 (default) Task 0x000071cf1eb3afe0 Total snapshots: 450. Utilization: 0% ╎450 @Base/task.jl:1168 wait_forever() 449╎ 450 @Base/task.jl:1246 wait() [1] signal 15: Terminated in expression starting at /PkgEval.jl/scripts/evaluate.jl:214 epoll_pwait at /lib/x86_64-linux-gnu/libc.so.6 (unknown line) uv__io_poll at /workspace/srcdir/libuv/src/unix/linux.c:1404 uv_run at /workspace/srcdir/libuv/src/unix/core.c:430 ijl_task_get_next at /source/src/scheduler.c:457 wait at ./task.jl:1246 wait_forever at ./task.jl:1168 jfptr_wait_forever_0.1 at /opt/julia/lib/julia/sys.so (unknown line) _jl_invoke at /source/src/gf.c:4113 [inlined] ijl_apply_generic at /source/src/gf.c:4339 jl_apply at /source/src/julia.h:2300 [inlined] start_task at /source/src/task.c:1275 unknown function (ip: (nil)) at (unknown file) Allocations: 18942369 (Pool: 18941677; Big: 692); GC: 13 [16] signal 15: Terminated in expression starting at /home/pkgeval/.julia/packages/Quiqbox/lEmMZ/test/unit-tests/HartreeFock-test.jl:5 _setindex! at ./genericmemory.jl:263 [inlined] setindex! at ./genericmemory.jl:270 [inlined] rehash! at ./dict.jl:177 _setindex! at ./dict.jl:339 [inlined] setindex! at ./dict.jl:365 _unsafe_addindex! at /home/pkgeval/.julia/packages/LRUCache/ZH7qB/src/LRUCache.jl:210 #22 at /home/pkgeval/.julia/packages/LRUCache/ZH7qB/src/LRUCache.jl:236 lock at ./lock.jl:335 setindex! at /home/pkgeval/.julia/packages/LRUCache/ZH7qB/src/LRUCache.jl:215 getIntegralValue! at /home/pkgeval/.julia/packages/Quiqbox/lEmMZ/src/Integration/Framework.jl:411 getOrbLayoutIntegralCore! at /home/pkgeval/.julia/packages/Quiqbox/lEmMZ/src/Integration/Framework.jl:492 evalSetInteTensorEntry! at /home/pkgeval/.julia/packages/Quiqbox/lEmMZ/src/Integration/Framework.jl:522 [inlined] getOrbVectorIntegralCore! at /home/pkgeval/.julia/packages/Quiqbox/lEmMZ/src/Integration/Framework.jl:572 evalOrbIntegralInfo! at /home/pkgeval/.julia/packages/Quiqbox/lEmMZ/src/Integration/Framework.jl:755 [inlined] #computeOrbDataIntegral#246 at /home/pkgeval/.julia/packages/Quiqbox/lEmMZ/src/Integration/Framework.jl:830 computeOrbDataIntegral at /home/pkgeval/.julia/packages/Quiqbox/lEmMZ/src/Integration/Framework.jl:823 [inlined] initializeHartreeFock at /home/pkgeval/.julia/packages/Quiqbox/lEmMZ/src/HartreeFock.jl:190 unknown function (ip: 0x7859a837bcc4) at (unknown file) _jl_invoke at /source/src/gf.c:4113 [inlined] ijl_apply_generic at /source/src/gf.c:4339 #runHartreeFock#313 at /home/pkgeval/.julia/packages/Quiqbox/lEmMZ/src/HartreeFock.jl:994 runHartreeFock at /home/pkgeval/.julia/packages/Quiqbox/lEmMZ/src/HartreeFock.jl:969 [inlined] #runHartreeFock#312 at /home/pkgeval/.julia/packages/Quiqbox/lEmMZ/src/HartreeFock.jl:965 [inlined] runHartreeFock at /home/pkgeval/.julia/packages/Quiqbox/lEmMZ/src/HartreeFock.jl:958 [inlined] #runHartreeFock#311 at /home/pkgeval/.julia/packages/Quiqbox/lEmMZ/src/HartreeFock.jl:955 [inlined] runHartreeFock at /home/pkgeval/.julia/packages/Quiqbox/lEmMZ/src/HartreeFock.jl:950 unknown function (ip: 0x78598137c4d2) at (unknown file) _jl_invoke at /source/src/gf.c:4113 [inlined] ijl_apply_generic at /source/src/gf.c:4339 macro expansion at /home/pkgeval/.julia/packages/Quiqbox/lEmMZ/test/unit-tests/HartreeFock-test.jl:339 [inlined] macro expansion at /home/pkgeval/.julia/packages/Suppressor/cKnGx/src/Suppressor.jl:165 [inlined] macro expansion at /home/pkgeval/.julia/packages/Quiqbox/lEmMZ/test/unit-tests/HartreeFock-test.jl:337 [inlined] macro expansion at /source/usr/share/julia/stdlib/v1.14/Test/src/Test.jl:2243 [inlined] top-level scope at /home/pkgeval/.julia/packages/Quiqbox/lEmMZ/test/unit-tests/HartreeFock-test.jl:7 jl_invoke_oneshot at /source/src/gf.c:4148 ijl_eval_thunk at /source/src/toplevel.c:758 jl_toplevel_eval_flex at /source/src/toplevel.c:712 jl_eval_toplevel_stmts at /source/src/toplevel.c:602 jl_toplevel_eval_flex at /source/src/toplevel.c:684 ijl_toplevel_eval at /source/src/toplevel.c:780 ijl_toplevel_eval_in at /source/src/toplevel.c:825 eval at ./boot.jl:517 include_string at ./loading.jl:3131 _jl_invoke at /source/src/gf.c:4113 [inlined] ijl_apply_generic at /source/src/gf.c:4339 _include at ./loading.jl:3191 include at ./Base.jl:324 IncludeInto at ./Base.jl:325 jfptr_IncludeInto_1.1 at /opt/julia/lib/julia/sys.so (unknown line) _jl_invoke at /source/src/gf.c:4113 [inlined] ijl_apply_generic at /source/src/gf.c:4339 macro expansion at /home/pkgeval/.julia/packages/Quiqbox/lEmMZ/test/runtests.jl:77 [inlined] macro expansion at /source/usr/share/julia/stdlib/v1.14/Test/src/Test.jl:2243 [inlined] macro expansion at /home/pkgeval/.julia/packages/Quiqbox/lEmMZ/test/runtests.jl:77 [inlined] macro expansion at ./timing.jl:503 [inlined] macro expansion at /home/pkgeval/.julia/packages/Quiqbox/lEmMZ/test/runtests.jl:76 [inlined] macro expansion at /source/usr/share/julia/stdlib/v1.14/Test/src/Test.jl:2243 [inlined] top-level scope at /home/pkgeval/.julia/packages/Quiqbox/lEmMZ/test/runtests.jl:6 jl_invoke_oneshot at /source/src/gf.c:4148 ijl_eval_thunk at /source/src/toplevel.c:758 jl_toplevel_eval_flex at /source/src/toplevel.c:712 jl_eval_toplevel_stmts at /source/src/toplevel.c:602 jl_toplevel_eval_flex at /source/src/toplevel.c:684 ijl_toplevel_eval at /source/src/toplevel.c:780 ijl_toplevel_eval_in at /source/src/toplevel.c:825 eval at ./boot.jl:517 include_string at ./loading.jl:3131 _jl_invoke at /source/src/gf.c:4113 [inlined] ijl_apply_generic at /source/src/gf.c:4339 _include at ./loading.jl:3191 include at ./Base.jl:324 IncludeInto at ./Base.jl:325 jfptr_IncludeInto_1.1 at /opt/julia/lib/julia/sys.so (unknown line) _jl_invoke at /source/src/gf.c:4113 [inlined] ijl_apply_generic at /source/src/gf.c:4339 jl_apply at /source/src/julia.h:2300 [inlined] do_call at /source/src/interpreter.c:123 eval_value at /source/src/interpreter.c:243 eval_stmt_value at /source/src/interpreter.c:194 [inlined] eval_body at /source/src/interpreter.c:693 jl_interpret_toplevel_thunk at /source/src/interpreter.c:884 ijl_eval_thunk at /source/src/toplevel.c:766 jl_toplevel_eval_flex at /source/src/toplevel.c:712 jl_eval_toplevel_stmts at /source/src/toplevel.c:602 jl_toplevel_eval_flex at /source/src/toplevel.c:684 ijl_toplevel_eval at /source/src/toplevel.c:780 ijl_toplevel_eval_in at /source/src/toplevel.c:825 eval at ./boot.jl:517 exec_options at ./client.jl:310 _start at ./client.jl:585 jfptr__start_0.1 at /opt/julia/lib/julia/sys.so (unknown line) _jl_invoke at /source/src/gf.c:4113 [inlined] ijl_apply_generic at /source/src/gf.c:4339 jl_apply at /source/src/julia.h:2300 [inlined] true_main at /source/src/jlapi.c:971 jl_repl_entrypoint at /source/src/jlapi.c:1138 main at /source/cli/loader_exe.c:58 unknown function (ip: 0x7859f044b249) at /lib/x86_64-linux-gnu/libc.so.6 __libc_start_main at /lib/x86_64-linux-gnu/libc.so.6 (unknown line) unknown function (ip: 0x4010b8) at /workspace/srcdir/glibc-2.17/csu/../sysdeps/x86_64/start.S unknown function (ip: (nil)) at (unknown file) Allocations: 7724785554 (Pool: 7724782493; Big: 3061); GC: 15403 PkgEval terminated after 2724.13s: test duration exceeded the time limit