Package evaluation of GaussianBasis on Julia 1.10.8 (4c16ff44be*) started at 2025-02-25T09:02:50.084 ################################################################################ # Set-up # Installing PkgEval dependencies (TestEnv)... Set-up completed after 5.33s ################################################################################ # Installation # Installing GaussianBasis... Resolving package versions... Installed HDF5 ─ v0.15.7 Updating `~/.julia/environments/v1.10/Project.toml` [9bb1a3dc] + GaussianBasis v0.4.0 Updating `~/.julia/environments/v1.10/Manifest.toml` [7d9f7c33] + Accessors v0.1.41 [a74b3585] + Blosc v0.7.3 [49dc2e85] + Calculus v0.5.2 [861a8166] + Combinatorics v1.0.2 [38540f10] + CommonSolve v0.2.4 ⌅ [34da2185] + Compat v3.47.0 [a33af91c] + CompositionsBase v0.1.2 [187b0558] + ConstructionBase v1.5.8 [8bb1440f] + DelimitedFiles v1.9.1 [ffbed154] + DocStringExtensions v0.9.3 [59287772] + Formatting v0.4.3 [9bb1a3dc] + GaussianBasis v0.4.0 ⌅ [f67ccb44] + HDF5 v0.15.7 [3587e190] + InverseFunctions v0.1.17 [92d709cd] + IrrationalConstants v0.2.4 [692b3bcd] + JLLWrappers v1.7.0 [2ab3a3ac] + LogExpFunctions v0.3.29 [1914dd2f] + MacroTools v0.5.15 [eff96d63] + Measurements v2.12.0 [5de6a177] + Molecules v0.3.0 [7b2266bf] + PeriodicTable v1.2.1 [5ad8b20f] + PhysicalConstants v0.2.4 [aea7be01] + PrecompileTools v1.2.1 [21216c6a] + Preferences v1.4.3 [ae029012] + Requires v1.3.0 [f2b01f46] + Roots v2.2.5 [276daf66] + SpecialFunctions v2.5.0 [90137ffa] + StaticArrays v1.9.12 [1e83bf80] + StaticArraysCore v1.4.3 [1986cc42] + Unitful v1.22.0 [0b7ba130] + Blosc_jll v1.21.6+2 ⌅ [0234f1f7] + HDF5_jll v1.12.2+2 [5ced341a] + Lz4_jll v1.10.1+0 ⌅ [458c3c95] + OpenSSL_jll v1.1.23+1 [efe28fd5] + OpenSpecFun_jll v0.5.6+0 [3161d3a3] + Zstd_jll v1.5.7+1 [574b78ca] + libcint_jll v5.1.7+0 [0dad84c5] + ArgTools v1.1.1 [56f22d72] + Artifacts [2a0f44e3] + Base64 [ade2ca70] + Dates [8ba89e20] + Distributed [f43a241f] + Downloads v1.6.0 [7b1f6079] + FileWatching [b77e0a4c] + InteractiveUtils [b27032c2] + LibCURL v0.6.4 [76f85450] + LibGit2 [8f399da3] + Libdl [37e2e46d] + LinearAlgebra [56ddb016] + Logging [d6f4376e] + Markdown [a63ad114] + Mmap [ca575930] + NetworkOptions v1.2.0 [44cfe95a] + Pkg v1.10.0 [de0858da] + Printf [3fa0cd96] + REPL [9a3f8284] + Random [ea8e919c] + SHA v0.7.0 [9e88b42a] + Serialization [1a1011a3] + SharedArrays [6462fe0b] + Sockets [2f01184e] + SparseArrays v1.10.0 [10745b16] + Statistics v1.10.0 [fa267f1f] + TOML v1.0.3 [a4e569a6] + Tar v1.10.0 [8dfed614] + Test [cf7118a7] + UUIDs [4ec0a83e] + Unicode [e66e0078] + CompilerSupportLibraries_jll v1.1.1+0 [deac9b47] + LibCURL_jll v8.4.0+0 [e37daf67] + LibGit2_jll v1.6.4+0 [29816b5a] + LibSSH2_jll v1.11.0+1 [c8ffd9c3] + MbedTLS_jll v2.28.2+1 [14a3606d] + MozillaCACerts_jll v2023.1.10 [4536629a] + OpenBLAS_jll v0.3.23+4 [05823500] + OpenLibm_jll v0.8.1+2 [bea87d4a] + SuiteSparse_jll v7.2.1+1 [83775a58] + Zlib_jll v1.2.13+1 [8e850b90] + libblastrampoline_jll v5.11.0+0 [8e850ede] + nghttp2_jll v1.52.0+1 [3f19e933] + p7zip_jll v17.4.0+2 Info Packages marked with ⌅ have new versions available but compatibility constraints restrict them from upgrading. To see why use `status --outdated -m` Building HDF5 → `~/.julia/scratchspaces/44cfe95a-1eb2-52ea-b672-e2afdf69b78f/698c099c6613d7b7f151832868728f426abe698b/build.log` Installation completed after 11.29s ################################################################################ # Precompilation # Precompiling PkgEval dependencies... Precompiling package dependencies... Precompilation completed after 23.19s ################################################################################ # Testing # Testing GaussianBasis Status `/tmp/jl_Z7SEMk/Project.toml` [861a8166] Combinatorics v1.0.2 [59287772] Formatting v0.4.3 [9bb1a3dc] GaussianBasis v0.4.0 ⌅ [f67ccb44] HDF5 v0.15.7 [5de6a177] Molecules v0.3.0 [276daf66] SpecialFunctions v2.5.0 [90137ffa] StaticArrays v1.9.12 [574b78ca] libcint_jll v5.1.7+0 [37e2e46d] LinearAlgebra [8dfed614] Test Status `/tmp/jl_Z7SEMk/Manifest.toml` [7d9f7c33] Accessors v0.1.41 [a74b3585] Blosc v0.7.3 [49dc2e85] Calculus v0.5.2 [861a8166] Combinatorics v1.0.2 [38540f10] CommonSolve v0.2.4 ⌅ [34da2185] Compat v3.47.0 [a33af91c] CompositionsBase v0.1.2 [187b0558] ConstructionBase v1.5.8 [8bb1440f] DelimitedFiles v1.9.1 [ffbed154] DocStringExtensions v0.9.3 [59287772] Formatting v0.4.3 [9bb1a3dc] GaussianBasis v0.4.0 ⌅ [f67ccb44] HDF5 v0.15.7 [3587e190] InverseFunctions v0.1.17 [92d709cd] IrrationalConstants v0.2.4 [692b3bcd] JLLWrappers v1.7.0 [2ab3a3ac] LogExpFunctions v0.3.29 [1914dd2f] MacroTools v0.5.15 [eff96d63] Measurements v2.12.0 [5de6a177] Molecules v0.3.0 [7b2266bf] PeriodicTable v1.2.1 [5ad8b20f] PhysicalConstants v0.2.4 [aea7be01] PrecompileTools v1.2.1 [21216c6a] Preferences v1.4.3 [ae029012] Requires v1.3.0 [f2b01f46] Roots v2.2.5 [276daf66] SpecialFunctions v2.5.0 [90137ffa] StaticArrays v1.9.12 [1e83bf80] StaticArraysCore v1.4.3 [1986cc42] Unitful v1.22.0 [0b7ba130] Blosc_jll v1.21.6+2 ⌅ [0234f1f7] HDF5_jll v1.12.2+2 [5ced341a] Lz4_jll v1.10.1+0 ⌅ [458c3c95] OpenSSL_jll v1.1.23+1 [efe28fd5] OpenSpecFun_jll v0.5.6+0 [3161d3a3] Zstd_jll v1.5.7+1 [574b78ca] libcint_jll v5.1.7+0 [0dad84c5] ArgTools v1.1.1 [56f22d72] Artifacts [2a0f44e3] Base64 [ade2ca70] Dates [8ba89e20] Distributed [f43a241f] Downloads v1.6.0 [7b1f6079] FileWatching [b77e0a4c] InteractiveUtils [b27032c2] LibCURL v0.6.4 [76f85450] LibGit2 [8f399da3] Libdl [37e2e46d] LinearAlgebra [56ddb016] Logging [d6f4376e] Markdown [a63ad114] Mmap [ca575930] NetworkOptions v1.2.0 [44cfe95a] Pkg v1.10.0 [de0858da] Printf [3fa0cd96] REPL [9a3f8284] Random [ea8e919c] SHA v0.7.0 [9e88b42a] Serialization [1a1011a3] SharedArrays [6462fe0b] Sockets [2f01184e] SparseArrays v1.10.0 [10745b16] Statistics v1.10.0 [fa267f1f] TOML v1.0.3 [a4e569a6] Tar v1.10.0 [8dfed614] Test [cf7118a7] UUIDs [4ec0a83e] Unicode [e66e0078] CompilerSupportLibraries_jll v1.1.1+0 [deac9b47] LibCURL_jll v8.4.0+0 [e37daf67] LibGit2_jll v1.6.4+0 [29816b5a] LibSSH2_jll v1.11.0+1 [c8ffd9c3] MbedTLS_jll v2.28.2+1 [14a3606d] MozillaCACerts_jll v2023.1.10 [4536629a] OpenBLAS_jll v0.3.23+4 [05823500] OpenLibm_jll v0.8.1+2 [bea87d4a] SuiteSparse_jll v7.2.1+1 [83775a58] Zlib_jll v1.2.13+1 [8e850b90] libblastrampoline_jll v5.11.0+0 [8e850ede] nghttp2_jll v1.52.0+1 [3f19e933] p7zip_jll v17.4.0+2 Info Packages marked with ⌅ have new versions available but compatibility constraints restrict them from upgrading. Testing Running tests... ====================================================================================== Information request received. A stacktrace will print followed by a 1.0 second profile ====================================================================================== cmd: /opt/julia/bin/julia 22 running 1 of 1 signal (10): User defined signal 1 setindex! at ./array.jl:1021 [inlined] macro expansion at ./multidimensional.jl:1642 [inlined] macro expansion at ./cartesian.jl:64 [inlined] macro expansion at ./multidimensional.jl:1638 [inlined] permutedims! at ./multidimensional.jl:1624 permutedims at ./multidimensional.jl:1609 [inlined] #65 at /home/pkgeval/.julia/packages/GaussianBasis/UPunp/src/Integrals/TwoElectronFourCenter.jl:202 unknown function (ip: 0x74df2451f762) _jl_invoke at /source/src/gf.c:2876 [inlined] ijl_apply_generic at /source/src/gf.c:3077 jl_apply at /source/src/julia.h:1982 [inlined] start_task at /source/src/task.c:1256 unknown function (ip: (nil)) ============================================================== Profile collected. A report will print at the next yield point ============================================================== ====================================================================================== Information request received. A stacktrace will print followed by a 1.0 second profile ====================================================================================== cmd: /opt/julia/bin/julia 1 running 0 of 1 signal (10): User defined signal 1 epoll_wait at /lib/x86_64-linux-gnu/libc.so.6 (unknown line) uv__io_poll at /workspace/srcdir/libuv/src/unix/epoll.c:236 uv_run at /workspace/srcdir/libuv/src/unix/core.c:400 ijl_task_get_next at /source/src/partr.c:478 poptask at ./task.jl:999 wait at ./task.jl:1008 #wait#645 at ./condition.jl:130 wait at ./condition.jl:125 [inlined] wait at ./process.jl:661 jfptr_wait_74800.1 at /opt/julia/lib/julia/sys.so (unknown line) _jl_invoke at /source/src/gf.c:2876 [inlined] ijl_apply_generic at /source/src/gf.c:3077 subprocess_handler at /source/usr/share/julia/stdlib/v1.10/Pkg/src/Operations.jl:2048 #130 at /source/usr/share/julia/stdlib/v1.10/Pkg/src/Operations.jl:1992 withenv at ./env.jl:257 #117 at /source/usr/share/julia/stdlib/v1.10/Pkg/src/Operations.jl:1840 with_temp_env at /source/usr/share/julia/stdlib/v1.10/Pkg/src/Operations.jl:1721 #115 at /source/usr/share/julia/stdlib/v1.10/Pkg/src/Operations.jl:1810 #mktempdir#24 at ./file.jl:766 unknown function (ip: 0x72a92fb682a0) _jl_invoke at /source/src/gf.c:2876 [inlined] ijl_apply_generic at /source/src/gf.c:3077 mktempdir at ./file.jl:762 mktempdir at ./file.jl:762 [inlined] #sandbox#114 at /source/usr/share/julia/stdlib/v1.10/Pkg/src/Operations.jl:1768 sandbox at /source/usr/share/julia/stdlib/v1.10/Pkg/src/Operations.jl:1759 unknown function (ip: 0x72a92fb60d25) _jl_invoke at /source/src/gf.c:2876 [inlined] ijl_apply_generic at /source/src/gf.c:3077 #test#127 at /source/usr/share/julia/stdlib/v1.10/Pkg/src/Operations.jl:1971 test at /source/usr/share/julia/stdlib/v1.10/Pkg/src/Operations.jl:1915 [inlined] #test#146 at /source/usr/share/julia/stdlib/v1.10/Pkg/src/API.jl:444 test at /source/usr/share/julia/stdlib/v1.10/Pkg/src/API.jl:423 unknown function (ip: 0x72a92fb60b50) _jl_invoke at /source/src/gf.c:2876 [inlined] ijl_apply_generic at /source/src/gf.c:3077 #test#77 at /source/usr/share/julia/stdlib/v1.10/Pkg/src/API.jl:159 unknown function (ip: 0x72a92fb60410) _jl_invoke at /source/src/gf.c:2876 [inlined] ijl_apply_generic at /source/src/gf.c:3077 test at /source/usr/share/julia/stdlib/v1.10/Pkg/src/API.jl:148 #test#75 at /source/usr/share/julia/stdlib/v1.10/Pkg/src/API.jl:147 [inlined] test at /source/usr/share/julia/stdlib/v1.10/Pkg/src/API.jl:147 [inlined] #test#74 at /source/usr/share/julia/stdlib/v1.10/Pkg/src/API.jl:146 [inlined] test at /source/usr/share/julia/stdlib/v1.10/Pkg/src/API.jl:146 unknown function (ip: 0x72a92fb5cb09) _jl_invoke at /source/src/gf.c:2876 [inlined] ijl_apply_generic at /source/src/gf.c:3077 jl_apply at /source/src/julia.h:1982 [inlined] do_call at /source/src/interpreter.c:126 eval_value at /source/src/interpreter.c:223 eval_stmt_value at /source/src/interpreter.c:174 [inlined] eval_body at /source/src/interpreter.c:635 eval_body at /source/src/interpreter.c:544 eval_body at /source/src/interpreter.c:544 jl_interpret_toplevel_thunk at /source/src/interpreter.c:775 jl_toplevel_eval_flex at /source/src/toplevel.c:934 jl_toplevel_eval_flex at /source/src/toplevel.c:877 ijl_toplevel_eval_in at /source/src/toplevel.c:985 eval at ./boot.jl:385 [inlined] include_string at ./loading.jl:2146 _jl_invoke at /source/src/gf.c:2876 [inlined] ijl_apply_generic at /source/src/gf.c:3077 _include at ./loading.jl:2206 include at ./Base.jl:495 jfptr_include_46541.1 at /opt/julia/lib/julia/sys.so (unknown line) _jl_invoke at /source/src/gf.c:2876 [inlined] ijl_apply_generic at /source/src/gf.c:3077 exec_options at ./client.jl:323 _start at ./client.jl:557 jfptr__start_82892.1 at /opt/julia/lib/julia/sys.so (unknown line) _jl_invoke at /source/src/gf.c:2876 [inlined] ijl_apply_generic at /source/src/gf.c:3077 jl_apply at /source/src/julia.h:1982 [inlined] true_main at /source/src/jlapi.c:582 jl_repl_entrypoint at /source/src/jlapi.c:731 main at /source/cli/loader_exe.c:58 unknown function (ip: 0x72a9305da249) __libc_start_main at /lib/x86_64-linux-gnu/libc.so.6 (unknown line) unknown function (ip: 0x4010b8) unknown function (ip: (nil)) ============================================================== Profile collected. A report will print at the next yield point ============================================================== ┌ 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/v1.10/Profile/src/Profile.jl:1225 Overhead ╎ [+additional indent] Count File:Line; Function ========================================================= Thread 1 Task 0x000074df114c1f50 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df11552590 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df0e425dc0 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df0e484fb0 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df0e498650 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df0e4a47e0 Total snapshots: 1. Utilization: 100% Task 0x000074df0e4af080 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df0e4adaa0 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df0e509910 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df0e52b210 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df0e529f50 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df0e589140 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:178; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 @Base/broadcast.jl:911; materialize! ╎ 1 @Base/broadcast.jl:914; materialize! ╎ 1 @Base/broadcast.jl:956; copyto! ╎ 1 @Base/broadcast.jl:997; copyto! ╎ 1 @Base/abstractarray.jl:1067; copyto! ╎ ╎ 1 @Base/abstractarray.jl:1108; copyto_unaliased!(deststyle::IndexCartes… ╎ ╎ 1 @Base/abstractarray.jl:1395; setindex! ╎ ╎ 1 …ase/abstractarray.jl:1425; _setindex! ╎ ╎ 1 @Base/subarray.jl:331; setindex! ╎ ╎ 1 @Base/array.jl:1024; setindex! Task 0x000074df0e5c0970 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df0e6b3b70 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df0e6b1c30 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df0e6db9e0 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:187; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …ase/multidimensional.jl:1608; permutedims ╎ 1 @Base/array.jl:421; similar ╎ 1 @Base/boot.jl:489; Array Task 0x000074df0e7b36c0 Total snapshots: 1. Utilization: 100% ╎1 @Base/task.jl:660; task_done_hook(t::Task) Task 0x000074df0e7b0e20 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df0d2afd00 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df0d2ad2d0 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df0d2ac330 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df30000010 Total snapshots: 449. Utilization: 100% ╎448 @Base/client.jl:557; _start() ╎ 448 @Base/client.jl:296; exec_options(opts::Base.JLOptions) ╎ 448 @Base/boot.jl:385; eval ╎ 448 @Base/client.jl:494; include(fname::String) ╎ 448 @Base/loading.jl:2206; _include(mapexpr::Function, mod::Module, _pa… ╎ 448 @Base/loading.jl:2146; include_string(mapexpr::typeof(identity), m… ╎ ╎ 448 @Base/boot.jl:385; eval ╎ ╎ 448 @Base/client.jl:494; include(fname::String) ╎ ╎ 448 @Base/loading.jl:2206; _include(mapexpr::Function, mod::Module,… ╎ ╎ 448 @Base/loading.jl:2146; include_string(mapexpr::typeof(identity… ╎ ╎ 448 @Base/boot.jl:385; eval ╎ ╎ ╎ 448 …/test_gradients.jl:69; top-level scope ╎ ╎ ╎ 448 @Test/src/Test.jl:1577; macro expansion ╎ ╎ ╎ 448 …test_gradients.jl:70; macro expansion ╎ ╎ ╎ 448 @Test/src/Test.jl:1577; macro expansion ╎ ╎ ╎ 256 …test_gradients.jl:71; macro expansion ╎ ╎ ╎ ╎ 26 …woElectronGrad.jl:3; ∇ERI_2e4c(BS::BasisSet{GaussianBa… ╎ ╎ ╎ ╎ 26 @Base/array.jl:631; zeros ╎ ╎ ╎ ╎ 26 @Base/array.jl:633; zeros ╎ ╎ ╎ ╎ 1 @Base/array.jl:636; zeros 1╎ ╎ ╎ ╎ 1 @Base/boot.jl:489; Array ╎ ╎ ╎ ╎ 25 @Base/array.jl:637; zeros ╎ ╎ ╎ ╎ 23 @Base/array.jl:395; fill! 23╎ ╎ ╎ ╎ ╎ 23 @Base/array.jl:1021; setindex! 2╎ ╎ ╎ ╎ 2 @Base/array.jl:396; fill! 1╎ ╎ ╎ ╎ 230 …woElectronGrad.jl:4; ∇ERI_2e4c(BS::BasisSet{GaussianBa… ╎ ╎ ╎ ╎ 14 …ElectronGrad.jl:77; ∇ERI_2e4c!(out::Array{Float64, 5}… ╎ ╎ ╎ ╎ 14 …/src/Libcint.jl:177; cint2e_ip1_sph!(buf::Vector{Flo… 14╎ ╎ ╎ ╎ 14 …/src/Libcint.jl:165; cint2e_ip1_sph!(buf::Vector{Fl… ╎ ╎ ╎ ╎ 8 …ElectronGrad.jl:81; ∇ERI_2e4c!(out::Array{Float64, 5}… ╎ ╎ ╎ ╎ 2 …bstractarray.jl:1290; getindex ╎ ╎ ╎ ╎ 2 …idimensional.jl:889; _getindex ╎ ╎ ╎ ╎ 2 …dimensional.jl:903; _unsafe_getindex(::IndexLinear… ╎ ╎ ╎ ╎ ╎ 2 …dimensional.jl:925; _unsafe_getindex! ╎ ╎ ╎ ╎ ╎ 2 …imensional.jl:912; macro expansion ╎ ╎ ╎ ╎ ╎ 2 …/cartesian.jl:66; macro expansion ╎ ╎ ╎ ╎ ╎ 2 @Base/range.jl:901; iterate 2╎ ╎ ╎ ╎ ╎ 2 …promotion.jl:521; == ╎ ╎ ╎ ╎ 1 …bstractarray.jl:1395; setindex! ╎ ╎ ╎ ╎ 1 …idimensional.jl:944; _setindex! ╎ ╎ ╎ ╎ 1 …dimensional.jl:967; _unsafe_setindex!(::IndexLinea… ╎ ╎ ╎ ╎ ╎ 1 …dimensional.jl:953; macro expansion 1╎ ╎ ╎ ╎ ╎ 1 …se/indices.jl:202; setindex_shape_check(::Array{… ╎ ╎ ╎ ╎ 4 …actarraymath.jl:218; -(A::Array{Float64, 4}) ╎ ╎ ╎ ╎ 4 …se/broadcast.jl:892; broadcast_preserving_zero_d ╎ ╎ ╎ ╎ 4 …e/broadcast.jl:903; materialize ╎ ╎ ╎ ╎ ╎ 4 …e/broadcast.jl:928; copy ╎ ╎ ╎ ╎ ╎ 4 …/broadcast.jl:223; similar ╎ ╎ ╎ ╎ ╎ 4 …/broadcast.jl:224; similar ╎ ╎ ╎ ╎ ╎ 4 …tractarray.jl:875; similar ╎ ╎ ╎ ╎ ╎ 4 …ractarray.jl:876; similar ╎ ╎ ╎ ╎ ╎ ╎ 4 @Base/boot.jl:494; Array 4╎ ╎ ╎ ╎ ╎ ╎ 4 …ase/boot.jl:489; Array ╎ ╎ ╎ ╎ 1 …se/arraymath.jl:16; +(A::Array{Float64, 4}, Bs::Arra… ╎ ╎ ╎ ╎ 1 …se/broadcast.jl:893; broadcast_preserving_zero_d ╎ ╎ ╎ ╎ 1 …e/broadcast.jl:234; axes ╎ ╎ ╎ ╎ ╎ 1 …e/broadcast.jl:236; _axes ╎ ╎ ╎ ╎ ╎ 1 …/broadcast.jl:524; combine_axes ╎ ╎ ╎ ╎ ╎ 1 …/broadcast.jl:543; broadcast_shape ╎ ╎ ╎ ╎ ╎ 1 …/broadcast.jl:549; _bcs ╎ ╎ ╎ ╎ ╎ 1 …ssentials.jl:374; tail 1╎ ╎ ╎ ╎ ╎ ╎ 1 …ssentials.jl:356; argtail ╎ ╎ ╎ ╎ 49 …ElectronGrad.jl:87; ∇ERI_2e4c!(out::Array{Float64, 5}… ╎ ╎ ╎ ╎ 49 …/src/Libcint.jl:177; cint2e_ip1_sph!(buf::Vector{Flo… ╎ ╎ ╎ ╎ 2 …se/broadcast.jl:903; materialize ╎ ╎ ╎ ╎ 2 …e/broadcast.jl:928; copy ╎ ╎ ╎ ╎ ╎ 2 …e/broadcast.jl:223; similar ╎ ╎ ╎ ╎ ╎ 2 …/broadcast.jl:224; similar ╎ ╎ ╎ ╎ ╎ 2 …tractarray.jl:875; similar ╎ ╎ ╎ ╎ ╎ 2 …tractarray.jl:876; similar ╎ ╎ ╎ ╎ ╎ 2 @Base/boot.jl:494; Array ╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/boot.jl:486; Array 2╎ ╎ ╎ ╎ ╎ ╎ 2 …ase/boot.jl:477; Array 47╎ ╎ ╎ ╎ 47 …/src/Libcint.jl:165; cint2e_ip1_sph!(buf::Vector{Fl… ╎ ╎ ╎ ╎ 1 …ElectronGrad.jl:90; ∇ERI_2e4c!(out::Array{Float64, 5}… ╎ ╎ ╎ ╎ 1 @Base/array.jl:973; getindex ╎ ╎ ╎ ╎ 1 …bstractarray.jl:702; checkbounds ╎ ╎ ╎ ╎ 1 …stractarray.jl:687; checkbounds ╎ ╎ ╎ ╎ ╎ 1 …stractarray.jl:767; checkindex ╎ ╎ ╎ ╎ ╎ 1 …tractarray.jl:762; checkindex 1╎ ╎ ╎ ╎ ╎ 1 @Base/int.jl:86; - ╎ ╎ ╎ ╎ 19 …ElectronGrad.jl:91; ∇ERI_2e4c!(out::Array{Float64, 5}… ╎ ╎ ╎ ╎ 7 …bstractarray.jl:1290; getindex ╎ ╎ ╎ ╎ 7 …idimensional.jl:889; _getindex ╎ ╎ ╎ ╎ 1 …dimensional.jl:901; _unsafe_getindex(::IndexLinear… ╎ ╎ ╎ ╎ ╎ 1 …stractarray.jl:830; similar ╎ ╎ ╎ ╎ ╎ 1 @Base/array.jl:420; similar 1╎ ╎ ╎ ╎ ╎ 1 @Base/boot.jl:489; Array ╎ ╎ ╎ ╎ 6 …dimensional.jl:903; _unsafe_getindex(::IndexLinear… ╎ ╎ ╎ ╎ ╎ 6 …dimensional.jl:925; _unsafe_getindex! ╎ ╎ ╎ ╎ ╎ 6 …imensional.jl:912; macro expansion ╎ ╎ ╎ ╎ ╎ 1 …/cartesian.jl:64; macro expansion ╎ ╎ ╎ ╎ ╎ 1 …imensional.jl:917; macro expansion 1╎ ╎ ╎ ╎ ╎ 1 …essentials.jl:14; getindex ╎ ╎ ╎ ╎ ╎ 5 …/cartesian.jl:66; macro expansion ╎ ╎ ╎ ╎ ╎ 5 @Base/range.jl:901; iterate 5╎ ╎ ╎ ╎ ╎ 5 …promotion.jl:521; == ╎ ╎ ╎ ╎ 2 …bstractarray.jl:1395; setindex! ╎ ╎ ╎ ╎ 2 …idimensional.jl:944; _setindex! ╎ ╎ ╎ ╎ 2 …dimensional.jl:967; _unsafe_setindex!(::IndexLinea… 1╎ ╎ ╎ ╎ ╎ 2 …dimensional.jl:953; macro expansion 1╎ ╎ ╎ ╎ ╎ 1 …se/indices.jl:202; setindex_shape_check(::Array{… ╎ ╎ ╎ ╎ 4 …actarraymath.jl:218; -(A::Array{Float64, 4}) ╎ ╎ ╎ ╎ 4 …se/broadcast.jl:892; broadcast_preserving_zero_d ╎ ╎ ╎ ╎ 4 …e/broadcast.jl:903; materialize ╎ ╎ ╎ ╎ ╎ 4 …e/broadcast.jl:928; copy ╎ ╎ ╎ ╎ ╎ 1 …/broadcast.jl:956; copyto! ╎ ╎ ╎ ╎ ╎ 1 …/broadcast.jl:1003; copyto! ╎ ╎ ╎ ╎ ╎ 1 …e/simdloop.jl:77; macro expansion ╎ ╎ ╎ ╎ ╎ 1 …broadcast.jl:1004; macro expansion ╎ ╎ ╎ ╎ ╎ ╎ 1 …mensional.jl:698; setindex! 1╎ ╎ ╎ ╎ ╎ ╎ 1 …se/array.jl:1024; setindex! ╎ ╎ ╎ ╎ ╎ 3 …/broadcast.jl:223; similar ╎ ╎ ╎ ╎ ╎ 3 …/broadcast.jl:224; similar ╎ ╎ ╎ ╎ ╎ 3 …tractarray.jl:875; similar ╎ ╎ ╎ ╎ ╎ 3 …ractarray.jl:876; similar ╎ ╎ ╎ ╎ ╎ ╎ 3 @Base/boot.jl:494; Array 3╎ ╎ ╎ ╎ ╎ ╎ 3 …ase/boot.jl:489; Array 1╎ ╎ ╎ ╎ 1 …se/arraymath.jl:12; +(A::Array{Float64, 4}, Bs::Arra… 1╎ ╎ ╎ ╎ 2 …se/arraymath.jl:14; +(A::Array{Float64, 4}, Bs::Arra… ╎ ╎ ╎ ╎ 1 @Base/indices.jl:169; promote_shape(a::Array{Float64… 1╎ ╎ ╎ ╎ 1 …ase/indices.jl:186; promote_shape ╎ ╎ ╎ ╎ 2 …se/arraymath.jl:16; +(A::Array{Float64, 4}, Bs::Arra… ╎ ╎ ╎ ╎ 2 …se/broadcast.jl:892; broadcast_preserving_zero_d ╎ ╎ ╎ ╎ 2 …e/broadcast.jl:903; materialize ╎ ╎ ╎ ╎ ╎ 2 …e/broadcast.jl:928; copy ╎ ╎ ╎ ╎ ╎ 2 …/broadcast.jl:956; copyto! ╎ ╎ ╎ ╎ ╎ 2 …/broadcast.jl:1003; copyto! 1╎ ╎ ╎ ╎ ╎ 1 …e/simdloop.jl:75; macro expansion ╎ ╎ ╎ ╎ ╎ 1 …e/simdloop.jl:77; macro expansion ╎ ╎ ╎ ╎ ╎ 1 …broadcast.jl:1004; macro expansion ╎ ╎ ╎ ╎ ╎ ╎ 1 …mensional.jl:698; setindex! 1╎ ╎ ╎ ╎ ╎ ╎ 1 …se/array.jl:1024; setindex! ╎ ╎ ╎ ╎ 1 …idimensional.jl:1608; permutedims ╎ ╎ ╎ ╎ 1 @Base/array.jl:421; similar 1╎ ╎ ╎ ╎ 1 @Base/boot.jl:489; Array ╎ ╎ ╎ ╎ 3 …ElectronGrad.jl:97; ∇ERI_2e4c!(out::Array{Float64, 5}… ╎ ╎ ╎ ╎ 3 …/src/Libcint.jl:177; cint2e_ip1_sph!(buf::Vector{Flo… 3╎ ╎ ╎ ╎ 3 …/src/Libcint.jl:165; cint2e_ip1_sph!(buf::Vector{Fl… ╎ ╎ ╎ ╎ 3 …ElectronGrad.jl:101; ∇ERI_2e4c!(out::Array{Float64, 5… ╎ ╎ ╎ ╎ 1 …bstractarray.jl:1290; getindex ╎ ╎ ╎ ╎ 1 …idimensional.jl:889; _getindex ╎ ╎ ╎ ╎ 1 …dimensional.jl:901; _unsafe_getindex(::IndexLinear… ╎ ╎ ╎ ╎ ╎ 1 …stractarray.jl:830; similar ╎ ╎ ╎ ╎ ╎ 1 @Base/array.jl:420; similar 1╎ ╎ ╎ ╎ ╎ 1 @Base/boot.jl:489; Array ╎ ╎ ╎ ╎ 1 …bstractarray.jl:1395; setindex! ╎ ╎ ╎ ╎ 1 …idimensional.jl:944; _setindex! ╎ ╎ ╎ ╎ 1 …dimensional.jl:967; _unsafe_setindex!(::IndexLinea… ╎ ╎ ╎ ╎ ╎ 1 …dimensional.jl:953; macro expansion 1╎ ╎ ╎ ╎ ╎ 1 …se/indices.jl:214; setindex_shape_check(::Array{… ╎ ╎ ╎ ╎ 1 …se/arraymath.jl:16; +(A::Array{Float64, 4}, Bs::Arra… ╎ ╎ ╎ ╎ 1 …se/broadcast.jl:892; broadcast_preserving_zero_d ╎ ╎ ╎ ╎ 1 …e/broadcast.jl:903; materialize ╎ ╎ ╎ ╎ ╎ 1 …e/broadcast.jl:928; copy ╎ ╎ ╎ ╎ ╎ 1 …/broadcast.jl:956; copyto! ╎ ╎ ╎ ╎ ╎ 1 …/broadcast.jl:1000; copyto! ╎ ╎ ╎ ╎ ╎ 1 …/broadcast.jl:983; preprocess ╎ ╎ ╎ ╎ ╎ 1 …broadcast.jl:986; preprocess_args ╎ ╎ ╎ ╎ ╎ ╎ 1 …broadcast.jl:984; preprocess ╎ ╎ ╎ ╎ ╎ ╎ 1 …roadcast.jl:676; extrude ╎ ╎ ╎ ╎ ╎ ╎ 1 …roadcast.jl:625; newindexer ╎ ╎ ╎ ╎ ╎ ╎ 1 …roadcast.jl:626; shapeindexer ╎ ╎ ╎ ╎ ╎ ╎ 1 …roadcast.jl:630; _newindexer ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 …roadcast.jl:630; _newindexer ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 …roadcast.jl:631; _newindexer ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 …perators.jl:276; != 1╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 …romotion.jl:521; == ╎ ╎ ╎ ╎ 30 …ElectronGrad.jl:107; ∇ERI_2e4c!(out::Array{Float64, 5… ╎ ╎ ╎ ╎ 2 @Base/array.jl:163; vect 2╎ ╎ ╎ ╎ 2 @Base/boot.jl:477; Array ╎ ╎ ╎ ╎ 28 …/src/Libcint.jl:177; cint2e_ip1_sph!(buf::Vector{Flo… 28╎ ╎ ╎ ╎ 28 …/src/Libcint.jl:165; cint2e_ip1_sph!(buf::Vector{Fl… ╎ ╎ ╎ ╎ 3 …ElectronGrad.jl:110; ∇ERI_2e4c!(out::Array{Float64, 5… ╎ ╎ ╎ ╎ 2 @Base/array.jl:975; getindex ╎ ╎ ╎ ╎ 2 …bstractarray.jl:830; similar ╎ ╎ ╎ ╎ 2 @Base/array.jl:420; similar ╎ ╎ ╎ ╎ ╎ 2 @Base/boot.jl:486; Array 2╎ ╎ ╎ ╎ ╎ 2 @Base/boot.jl:477; Array ╎ ╎ ╎ ╎ 1 …eshapedarray.jl:117; reshape 1╎ ╎ ╎ ╎ 1 …eshapedarray.jl:51; reshape ╎ ╎ ╎ ╎ 16 …ElectronGrad.jl:111; ∇ERI_2e4c!(out::Array{Float64, 5… ╎ ╎ ╎ ╎ 8 …bstractarray.jl:1290; getindex ╎ ╎ ╎ ╎ 8 …idimensional.jl:889; _getindex ╎ ╎ ╎ ╎ 5 …dimensional.jl:901; _unsafe_getindex(::IndexLinear… ╎ ╎ ╎ ╎ ╎ 5 …stractarray.jl:830; similar ╎ ╎ ╎ ╎ ╎ 5 @Base/array.jl:420; similar 5╎ ╎ ╎ ╎ ╎ 5 @Base/boot.jl:489; Array ╎ ╎ ╎ ╎ 3 …dimensional.jl:903; _unsafe_getindex(::IndexLinear… ╎ ╎ ╎ ╎ ╎ 3 …dimensional.jl:925; _unsafe_getindex! ╎ ╎ ╎ ╎ ╎ 3 …imensional.jl:912; macro expansion ╎ ╎ ╎ ╎ ╎ 3 …/cartesian.jl:66; macro expansion ╎ ╎ ╎ ╎ ╎ 3 @Base/range.jl:901; iterate 3╎ ╎ ╎ ╎ ╎ 3 …promotion.jl:521; == ╎ ╎ ╎ ╎ 1 …bstractarray.jl:1395; setindex! ╎ ╎ ╎ ╎ 1 …idimensional.jl:944; _setindex! ╎ ╎ ╎ ╎ 1 …dimensional.jl:967; _unsafe_setindex!(::IndexLinea… ╎ ╎ ╎ ╎ ╎ 1 …dimensional.jl:953; macro expansion 1╎ ╎ ╎ ╎ ╎ 1 …se/indices.jl:202; setindex_shape_check(::Array{… ╎ ╎ ╎ ╎ 3 …actarraymath.jl:218; -(A::Array{Float64, 4}) ╎ ╎ ╎ ╎ 3 …se/broadcast.jl:892; broadcast_preserving_zero_d ╎ ╎ ╎ ╎ 3 …e/broadcast.jl:903; materialize ╎ ╎ ╎ ╎ ╎ 3 …e/broadcast.jl:928; copy ╎ ╎ ╎ ╎ ╎ 1 …/broadcast.jl:956; copyto! ╎ ╎ ╎ ╎ ╎ 1 …/broadcast.jl:1003; copyto! ╎ ╎ ╎ ╎ ╎ 1 …e/simdloop.jl:76; macro expansion ╎ ╎ ╎ ╎ ╎ 1 …mensional.jl:482; simd_index 1╎ ╎ ╎ ╎ ╎ ╎ 1 …ase/range.jl:937; getindex ╎ ╎ ╎ ╎ ╎ 2 …/broadcast.jl:223; similar ╎ ╎ ╎ ╎ ╎ 2 …/broadcast.jl:224; similar ╎ ╎ ╎ ╎ ╎ 2 …tractarray.jl:875; similar ╎ ╎ ╎ ╎ ╎ 2 …ractarray.jl:876; similar ╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/boot.jl:494; Array 2╎ ╎ ╎ ╎ ╎ ╎ 2 …ase/boot.jl:489; Array ╎ ╎ ╎ ╎ 2 …se/arraymath.jl:16; +(A::Array{Float64, 4}, Bs::Arra… ╎ ╎ ╎ ╎ 2 …se/broadcast.jl:892; broadcast_preserving_zero_d ╎ ╎ ╎ ╎ 2 …e/broadcast.jl:903; materialize ╎ ╎ ╎ ╎ ╎ 1 …e/broadcast.jl:928; copy ╎ ╎ ╎ ╎ ╎ 1 …/broadcast.jl:223; similar ╎ ╎ ╎ ╎ ╎ 1 …/broadcast.jl:224; similar ╎ ╎ ╎ ╎ ╎ 1 …tractarray.jl:875; similar ╎ ╎ ╎ ╎ ╎ 1 …ractarray.jl:876; similar ╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/boot.jl:494; Array 1╎ ╎ ╎ ╎ ╎ ╎ 1 …ase/boot.jl:489; Array ╎ ╎ ╎ ╎ ╎ 1 …e/broadcast.jl:306; instantiate ╎ ╎ ╎ ╎ ╎ 1 …/broadcast.jl:524; combine_axes ╎ ╎ ╎ ╎ ╎ 1 …/broadcast.jl:543; broadcast_shape ╎ ╎ ╎ ╎ ╎ 1 …/broadcast.jl:549; _bcs ╎ ╎ ╎ ╎ ╎ 1 …ssentials.jl:374; tail 1╎ ╎ ╎ ╎ ╎ ╎ 1 …ssentials.jl:356; argtail ╎ ╎ ╎ ╎ 1 …idimensional.jl:1608; permutedims ╎ ╎ ╎ ╎ 1 @Base/array.jl:421; similar 1╎ ╎ ╎ ╎ 1 @Base/boot.jl:489; Array ╎ ╎ ╎ ╎ 1 …idimensional.jl:1609; permutedims ╎ ╎ ╎ ╎ 1 …dimensional.jl:1624; permutedims!(P::Array{Float64,… ╎ ╎ ╎ ╎ 1 …dimensional.jl:1638; macro expansion ╎ ╎ ╎ ╎ ╎ 1 …e/cartesian.jl:63; macro expansion 1╎ ╎ ╎ ╎ ╎ 1 @Base/int.jl:87; + ╎ ╎ ╎ ╎ 14 …ElectronGrad.jl:118; ∇ERI_2e4c!(out::Array{Float64, 5… ╎ ╎ ╎ ╎ 4 …bstractarray.jl:1290; getindex ╎ ╎ ╎ ╎ 4 …idimensional.jl:889; _getindex ╎ ╎ ╎ ╎ 4 …dimensional.jl:903; _unsafe_getindex(::IndexLinear… ╎ ╎ ╎ ╎ ╎ 4 …dimensional.jl:925; _unsafe_getindex! ╎ ╎ ╎ ╎ ╎ 4 …imensional.jl:912; macro expansion ╎ ╎ ╎ ╎ ╎ 3 …/cartesian.jl:66; macro expansion ╎ ╎ ╎ ╎ ╎ 3 @Base/range.jl:901; iterate 3╎ ╎ ╎ ╎ ╎ 3 …promotion.jl:521; == 1╎ ╎ ╎ ╎ ╎ 1 @Base/range.jl:0; macro expansion ╎ ╎ ╎ ╎ 6 …se/broadcast.jl:911; materialize! ╎ ╎ ╎ ╎ 6 …se/broadcast.jl:914; materialize! ╎ ╎ ╎ ╎ 6 …e/broadcast.jl:956; copyto! ╎ ╎ ╎ ╎ ╎ 6 …e/broadcast.jl:997; copyto! ╎ ╎ ╎ ╎ ╎ 6 …tractarray.jl:1067; copyto! ╎ ╎ ╎ ╎ ╎ 5 …tractarray.jl:1108; copyto_unaliased!(deststyle… ╎ ╎ ╎ ╎ ╎ 5 …ractarray.jl:1395; setindex! ╎ ╎ ╎ ╎ ╎ 5 …ractarray.jl:1425; _setindex! ╎ ╎ ╎ ╎ ╎ ╎ 1 …/subarray.jl:330; setindex! 1╎ ╎ ╎ ╎ ╎ ╎ 1 …actarray.jl:700; checkbounds ╎ ╎ ╎ ╎ ╎ ╎ 4 …/subarray.jl:331; setindex! 3╎ ╎ ╎ ╎ ╎ ╎ 3 …se/array.jl:1024; setindex! ╎ ╎ ╎ ╎ ╎ ╎ 1 …subarray.jl:268; reindex ╎ ╎ ╎ ╎ ╎ ╎ 1 …subarray.jl:268; reindex ╎ ╎ ╎ ╎ ╎ ╎ 1 …se/range.jl:930; getindex 1╎ ╎ ╎ ╎ ╎ ╎ 1 …se/range.jl:913; _in_unit_range ╎ ╎ ╎ ╎ ╎ 1 …tractarray.jl:1109; copyto_unaliased!(deststyle… ╎ ╎ ╎ ╎ ╎ 1 …imensional.jl:408; iterate ╎ ╎ ╎ ╎ ╎ 1 …mensional.jl:433; __inc ╎ ╎ ╎ ╎ ╎ ╎ 1 …mensional.jl:440; __is_valid_range ╎ ╎ ╎ ╎ ╎ ╎ 1 …se/range.jl:1439; in 1╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/int.jl:514; <= ╎ ╎ ╎ ╎ 3 …idimensional.jl:1608; permutedims ╎ ╎ ╎ ╎ 3 @Base/array.jl:421; similar 3╎ ╎ ╎ ╎ 3 @Base/boot.jl:489; Array ╎ ╎ ╎ ╎ 1 …idimensional.jl:1609; permutedims ╎ ╎ ╎ ╎ 1 …dimensional.jl:1624; permutedims!(P::Array{Float64,… ╎ ╎ ╎ ╎ 1 …dimensional.jl:1626; macro expansion ╎ ╎ ╎ ╎ ╎ 1 …imensional.jl:1615; checkdims_perm(P::Array{Float… ╎ ╎ ╎ ╎ ╎ 1 …mbinatorics.jl:86; isperm ╎ ╎ ╎ ╎ ╎ 1 …binatorics.jl:39; _foldoneto ╎ ╎ ╎ ╎ ╎ 1 …binatorics.jl:44; macro expansion ╎ ╎ ╎ ╎ ╎ 1 …binatorics.jl:87; #899 ╎ ╎ ╎ ╎ ╎ ╎ 1 …inatorics.jl:39; _foldoneto ╎ ╎ ╎ ╎ ╎ ╎ 1 …inatorics.jl:44; macro expansion ╎ ╎ ╎ ╎ ╎ ╎ 1 …natorics.jl:88; #900 1╎ ╎ ╎ ╎ ╎ ╎ 1 …romotion.jl:521; == ╎ ╎ ╎ ╎ 8 …ElectronGrad.jl:120; ∇ERI_2e4c!(out::Array{Float64, 5… ╎ ╎ ╎ ╎ 2 …bstractarray.jl:1290; getindex ╎ ╎ ╎ ╎ 2 …idimensional.jl:889; _getindex 1╎ ╎ ╎ ╎ 1 …dimensional.jl:898; _unsafe_getindex(::IndexLinear… ╎ ╎ ╎ ╎ 1 …dimensional.jl:901; _unsafe_getindex(::IndexLinear… ╎ ╎ ╎ ╎ ╎ 1 …stractarray.jl:830; similar ╎ ╎ ╎ ╎ ╎ 1 @Base/array.jl:420; similar 1╎ ╎ ╎ ╎ ╎ 1 @Base/boot.jl:489; Array ╎ ╎ ╎ ╎ 5 …se/broadcast.jl:911; materialize! ╎ ╎ ╎ ╎ 5 …se/broadcast.jl:914; materialize! ╎ ╎ ╎ ╎ 5 …e/broadcast.jl:956; copyto! ╎ ╎ ╎ ╎ ╎ 5 …e/broadcast.jl:997; copyto! ╎ ╎ ╎ ╎ ╎ 5 …tractarray.jl:1067; copyto! 1╎ ╎ ╎ ╎ ╎ 1 …tractarray.jl:1076; copyto_unaliased!(deststyle… ╎ ╎ ╎ ╎ ╎ 1 …tractarray.jl:1108; copyto_unaliased!(deststyle… ╎ ╎ ╎ ╎ ╎ 1 …ractarray.jl:1395; setindex! ╎ ╎ ╎ ╎ ╎ 1 …ractarray.jl:1425; _setindex! ╎ ╎ ╎ ╎ ╎ ╎ 1 …/subarray.jl:331; setindex! ╎ ╎ ╎ ╎ ╎ ╎ 1 …subarray.jl:268; reindex ╎ ╎ ╎ ╎ ╎ ╎ 1 …subarray.jl:268; reindex 1╎ ╎ ╎ ╎ ╎ ╎ 1 …se/range.jl:0; reindex ╎ ╎ ╎ ╎ ╎ 3 …tractarray.jl:1109; copyto_unaliased!(deststyle… ╎ ╎ ╎ ╎ ╎ 3 …imensional.jl:408; iterate ╎ ╎ ╎ ╎ ╎ 3 …mensional.jl:433; __inc ╎ ╎ ╎ ╎ ╎ ╎ 3 …mensional.jl:440; __is_valid_range ╎ ╎ ╎ ╎ ╎ ╎ 3 …se/range.jl:1439; in 3╎ ╎ ╎ ╎ ╎ ╎ 3 @Base/int.jl:514; <= ╎ ╎ ╎ ╎ 1 …idimensional.jl:1608; permutedims ╎ ╎ ╎ ╎ 1 @Base/array.jl:421; similar 1╎ ╎ ╎ ╎ 1 @Base/boot.jl:489; Array ╎ ╎ ╎ ╎ 16 …ElectronGrad.jl:123; ∇ERI_2e4c!(out::Array{Float64, 5… ╎ ╎ ╎ ╎ 10 …bstractarray.jl:1290; getindex 3╎ ╎ ╎ ╎ 10 …idimensional.jl:889; _getindex ╎ ╎ ╎ ╎ 1 …dimensional.jl:900; _unsafe_getindex(::IndexLinear… ╎ ╎ ╎ ╎ ╎ 1 …dimensional.jl:772; index_shape ╎ ╎ ╎ ╎ ╎ 1 @Base/range.jl:706; axes ╎ ╎ ╎ ╎ ╎ 1 @Base/range.jl:761; length 1╎ ╎ ╎ ╎ ╎ 1 @Base/int.jl:86; - ╎ ╎ ╎ ╎ 4 …dimensional.jl:901; _unsafe_getindex(::IndexLinear… ╎ ╎ ╎ ╎ ╎ 4 …stractarray.jl:830; similar ╎ ╎ ╎ ╎ ╎ 4 @Base/array.jl:420; similar 4╎ ╎ ╎ ╎ ╎ 4 @Base/boot.jl:489; Array ╎ ╎ ╎ ╎ 2 …dimensional.jl:903; _unsafe_getindex(::IndexLinear… ╎ ╎ ╎ ╎ ╎ 2 …dimensional.jl:925; _unsafe_getindex! ╎ ╎ ╎ ╎ ╎ 2 …imensional.jl:912; macro expansion ╎ ╎ ╎ ╎ ╎ 2 …/cartesian.jl:64; macro expansion ╎ ╎ ╎ ╎ ╎ 1 …imensional.jl:917; macro expansion 1╎ ╎ ╎ ╎ ╎ 1 …essentials.jl:14; getindex ╎ ╎ ╎ ╎ ╎ 1 …imensional.jl:918; macro expansion 1╎ ╎ ╎ ╎ ╎ 1 …ase/range.jl:901; iterate ╎ ╎ ╎ ╎ 4 …se/broadcast.jl:911; materialize! ╎ ╎ ╎ ╎ 4 …se/broadcast.jl:914; materialize! ╎ ╎ ╎ ╎ 3 …e/broadcast.jl:956; copyto! ╎ ╎ ╎ ╎ ╎ 3 …e/broadcast.jl:997; copyto! ╎ ╎ ╎ ╎ ╎ 3 …tractarray.jl:1067; copyto! ╎ ╎ ╎ ╎ ╎ 2 …tractarray.jl:1108; copyto_unaliased!(deststyle… ╎ ╎ ╎ ╎ ╎ 2 …ractarray.jl:1395; setindex! ╎ ╎ ╎ ╎ ╎ 2 …ractarray.jl:1425; _setindex! ╎ ╎ ╎ ╎ ╎ ╎ 2 …/subarray.jl:331; setindex! 2╎ ╎ ╎ ╎ ╎ ╎ 2 …se/array.jl:1024; setindex! 1╎ ╎ ╎ ╎ ╎ 1 @Base/array.jl:0; copyto_unaliased!(deststyle::I… ╎ ╎ ╎ ╎ 1 …e/broadcast.jl:309; instantiate ╎ ╎ ╎ ╎ ╎ 1 …e/broadcast.jl:582; check_broadcast_axes ╎ ╎ ╎ ╎ ╎ 1 …/broadcast.jl:580; check_broadcast_shape 1╎ ╎ ╎ ╎ ╎ 1 …e/broadcast.jl:0; check_broadcast_shape ╎ ╎ ╎ ╎ 1 …idimensional.jl:1608; permutedims ╎ ╎ ╎ ╎ 1 @Base/array.jl:421; similar 1╎ ╎ ╎ ╎ 1 @Base/boot.jl:489; Array ╎ ╎ ╎ ╎ 1 …idimensional.jl:1609; permutedims ╎ ╎ ╎ ╎ 1 …dimensional.jl:1624; permutedims!(P::Array{Float64,… ╎ ╎ ╎ ╎ 1 …dimensional.jl:1638; macro expansion ╎ ╎ ╎ ╎ ╎ 1 …e/cartesian.jl:66; macro expansion ╎ ╎ ╎ ╎ ╎ 1 @Base/range.jl:901; iterate 1╎ ╎ ╎ ╎ ╎ 1 …/promotion.jl:521; == ╎ ╎ ╎ ╎ 8 …ElectronGrad.jl:126; ∇ERI_2e4c!(out::Array{Float64, 5… ╎ ╎ ╎ ╎ 2 …bstractarray.jl:1290; getindex ╎ ╎ ╎ ╎ 2 …idimensional.jl:889; _getindex ╎ ╎ ╎ ╎ 2 …dimensional.jl:903; _unsafe_getindex(::IndexLinear… ╎ ╎ ╎ ╎ ╎ 2 …dimensional.jl:925; _unsafe_getindex! ╎ ╎ ╎ ╎ ╎ 2 …imensional.jl:912; macro expansion ╎ ╎ ╎ ╎ ╎ 1 …/cartesian.jl:64; macro expansion ╎ ╎ ╎ ╎ ╎ 1 …imensional.jl:917; macro expansion 1╎ ╎ ╎ ╎ ╎ 1 …ase/array.jl:1021; setindex! 1╎ ╎ ╎ ╎ ╎ 1 @Base/range.jl:0; macro expansion ╎ ╎ ╎ ╎ 4 …se/broadcast.jl:911; materialize! ╎ ╎ ╎ ╎ 4 …se/broadcast.jl:914; materialize! ╎ ╎ ╎ ╎ 4 …e/broadcast.jl:956; copyto! ╎ ╎ ╎ ╎ ╎ 4 …e/broadcast.jl:997; copyto! ╎ ╎ ╎ ╎ ╎ 4 …tractarray.jl:1067; copyto! ╎ ╎ ╎ ╎ ╎ 4 …tractarray.jl:1108; copyto_unaliased!(deststyle… ╎ ╎ ╎ ╎ ╎ 4 …ractarray.jl:1395; setindex! ╎ ╎ ╎ ╎ ╎ 4 …ractarray.jl:1425; _setindex! ╎ ╎ ╎ ╎ ╎ ╎ 4 …/subarray.jl:331; setindex! 3╎ ╎ ╎ ╎ ╎ ╎ 3 …se/array.jl:1024; setindex! ╎ ╎ ╎ ╎ ╎ ╎ 1 …subarray.jl:268; reindex ╎ ╎ ╎ ╎ ╎ ╎ 1 …subarray.jl:268; reindex ╎ ╎ ╎ ╎ ╎ ╎ 1 …subarray.jl:268; reindex ╎ ╎ ╎ ╎ ╎ ╎ 1 …se/range.jl:930; getindex 1╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 …se/range.jl:913; _in_unit_range ╎ ╎ ╎ ╎ 2 …idimensional.jl:1609; permutedims ╎ ╎ ╎ ╎ 2 …dimensional.jl:1624; permutedims!(P::Array{Float64,… ╎ ╎ ╎ ╎ 2 …dimensional.jl:1626; macro expansion ╎ ╎ ╎ ╎ ╎ 2 …imensional.jl:1615; checkdims_perm(P::Array{Float… ╎ ╎ ╎ ╎ ╎ 2 …mbinatorics.jl:86; isperm ╎ ╎ ╎ ╎ ╎ 2 …binatorics.jl:39; _foldoneto ╎ ╎ ╎ ╎ ╎ 2 …binatorics.jl:44; macro expansion ╎ ╎ ╎ ╎ ╎ 1 …binatorics.jl:87; #899 ╎ ╎ ╎ ╎ ╎ ╎ 1 …inatorics.jl:39; _foldoneto ╎ ╎ ╎ ╎ ╎ ╎ 1 …inatorics.jl:44; macro expansion 1╎ ╎ ╎ ╎ ╎ ╎ 1 …natorics.jl:88; #900 ╎ ╎ ╎ ╎ ╎ 1 …binatorics.jl:90; #899 1╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/bool.jl:38; & ╎ ╎ ╎ ╎ 9 …ElectronGrad.jl:128; ∇ERI_2e4c!(out::Array{Float64, 5… ╎ ╎ ╎ ╎ 3 …bstractarray.jl:1290; getindex ╎ ╎ ╎ ╎ 3 …idimensional.jl:889; _getindex ╎ ╎ ╎ ╎ 3 …dimensional.jl:903; _unsafe_getindex(::IndexLinear… ╎ ╎ ╎ ╎ ╎ 3 …dimensional.jl:925; _unsafe_getindex! ╎ ╎ ╎ ╎ ╎ 3 …imensional.jl:912; macro expansion ╎ ╎ ╎ ╎ ╎ 2 …/cartesian.jl:64; macro expansion ╎ ╎ ╎ ╎ ╎ 1 …imensional.jl:917; macro expansion 1╎ ╎ ╎ ╎ ╎ 1 …essentials.jl:14; getindex ╎ ╎ ╎ ╎ ╎ 1 …imensional.jl:918; macro expansion 1╎ ╎ ╎ ╎ ╎ 1 …ase/range.jl:901; iterate ╎ ╎ ╎ ╎ ╎ 1 …/cartesian.jl:66; macro expansion 1╎ ╎ ╎ ╎ ╎ 1 @Base/range.jl:901; iterate ╎ ╎ ╎ ╎ 4 …se/broadcast.jl:911; materialize! ╎ ╎ ╎ ╎ 4 …se/broadcast.jl:914; materialize! ╎ ╎ ╎ ╎ 4 …e/broadcast.jl:956; copyto! ╎ ╎ ╎ ╎ ╎ 4 …e/broadcast.jl:997; copyto! ╎ ╎ ╎ ╎ ╎ 4 …tractarray.jl:1067; copyto! 1╎ ╎ ╎ ╎ ╎ 1 …tractarray.jl:0; copyto_unaliased!(deststyle::I… ╎ ╎ ╎ ╎ ╎ 2 …tractarray.jl:1108; copyto_unaliased!(deststyle… ╎ ╎ ╎ ╎ ╎ 2 …ractarray.jl:1395; setindex! ╎ ╎ ╎ ╎ ╎ 2 …ractarray.jl:1425; _setindex! ╎ ╎ ╎ ╎ ╎ ╎ 2 …/subarray.jl:331; setindex! 2╎ ╎ ╎ ╎ ╎ ╎ 2 …se/array.jl:1024; setindex! ╎ ╎ ╎ ╎ ╎ 1 …tractarray.jl:1109; copyto_unaliased!(deststyle… ╎ ╎ ╎ ╎ ╎ 1 …imensional.jl:408; iterate ╎ ╎ ╎ ╎ ╎ 1 …mensional.jl:433; __inc ╎ ╎ ╎ ╎ ╎ ╎ 1 …mensional.jl:440; __is_valid_range ╎ ╎ ╎ ╎ ╎ ╎ 1 …se/range.jl:1439; in 1╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/int.jl:514; <= ╎ ╎ ╎ ╎ 1 …idimensional.jl:1608; permutedims ╎ ╎ ╎ ╎ 1 @Base/array.jl:421; similar 1╎ ╎ ╎ ╎ 1 @Base/boot.jl:489; Array ╎ ╎ ╎ ╎ 1 …idimensional.jl:1609; permutedims ╎ ╎ ╎ ╎ 1 …dimensional.jl:1624; permutedims!(P::Array{Float64,… ╎ ╎ ╎ ╎ 1 …dimensional.jl:1638; macro expansion ╎ ╎ ╎ ╎ ╎ 1 …e/cartesian.jl:66; macro expansion ╎ ╎ ╎ ╎ ╎ 1 @Base/range.jl:901; iterate 1╎ ╎ ╎ ╎ ╎ 1 …/promotion.jl:521; == ╎ ╎ ╎ ╎ 7 …ElectronGrad.jl:130; ∇ERI_2e4c!(out::Array{Float64, 5… ╎ ╎ ╎ ╎ 2 …bstractarray.jl:1290; getindex ╎ ╎ ╎ ╎ 2 …idimensional.jl:889; _getindex ╎ ╎ ╎ ╎ 1 …dimensional.jl:900; _unsafe_getindex(::IndexLinear… ╎ ╎ ╎ ╎ ╎ 1 …dimensional.jl:772; index_shape ╎ ╎ ╎ ╎ ╎ 1 …imensional.jl:772; index_shape ╎ ╎ ╎ ╎ ╎ 1 @Base/range.jl:706; axes ╎ ╎ ╎ ╎ ╎ 1 @Base/range.jl:761; length 1╎ ╎ ╎ ╎ ╎ 1 @Base/int.jl:87; + ╎ ╎ ╎ ╎ 1 …dimensional.jl:901; _unsafe_getindex(::IndexLinear… ╎ ╎ ╎ ╎ ╎ 1 …stractarray.jl:830; similar ╎ ╎ ╎ ╎ ╎ 1 @Base/array.jl:420; similar 1╎ ╎ ╎ ╎ ╎ 1 @Base/boot.jl:489; Array ╎ ╎ ╎ ╎ 1 …se/broadcast.jl:911; materialize! ╎ ╎ ╎ ╎ 1 …se/broadcast.jl:914; materialize! ╎ ╎ ╎ ╎ 1 …e/broadcast.jl:956; copyto! ╎ ╎ ╎ ╎ ╎ 1 …e/broadcast.jl:997; copyto! ╎ ╎ ╎ ╎ ╎ 1 …tractarray.jl:1067; copyto! ╎ ╎ ╎ ╎ ╎ 1 …tractarray.jl:1109; copyto_unaliased!(deststyle… ╎ ╎ ╎ ╎ ╎ 1 …imensional.jl:408; iterate ╎ ╎ ╎ ╎ ╎ 1 …mensional.jl:433; __inc ╎ ╎ ╎ ╎ ╎ ╎ 1 …mensional.jl:440; __is_valid_range ╎ ╎ ╎ ╎ ╎ ╎ 1 …se/range.jl:1439; in 1╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/int.jl:514; <= ╎ ╎ ╎ ╎ 3 …idimensional.jl:1608; permutedims ╎ ╎ ╎ ╎ 3 @Base/array.jl:421; similar 3╎ ╎ ╎ ╎ 3 @Base/boot.jl:489; Array ╎ ╎ ╎ ╎ 1 …idimensional.jl:1609; permutedims ╎ ╎ ╎ ╎ 1 …dimensional.jl:1624; permutedims!(P::Array{Float64,… ╎ ╎ ╎ ╎ 1 …dimensional.jl:1638; macro expansion ╎ ╎ ╎ ╎ ╎ 1 …e/cartesian.jl:66; macro expansion ╎ ╎ ╎ ╎ ╎ 1 @Base/range.jl:901; iterate 1╎ ╎ ╎ ╎ ╎ 1 …/promotion.jl:521; == ╎ ╎ ╎ ╎ 12 …ElectronGrad.jl:132; ∇ERI_2e4c!(out::Array{Float64, 5… ╎ ╎ ╎ ╎ 5 …bstractarray.jl:1290; getindex ╎ ╎ ╎ ╎ 5 …idimensional.jl:889; _getindex ╎ ╎ ╎ ╎ 2 …dimensional.jl:901; _unsafe_getindex(::IndexLinear… ╎ ╎ ╎ ╎ ╎ 2 …stractarray.jl:830; similar ╎ ╎ ╎ ╎ ╎ 2 @Base/array.jl:420; similar 2╎ ╎ ╎ ╎ ╎ 2 @Base/boot.jl:489; Array ╎ ╎ ╎ ╎ 3 …dimensional.jl:903; _unsafe_getindex(::IndexLinear… ╎ ╎ ╎ ╎ ╎ 3 …dimensional.jl:925; _unsafe_getindex! ╎ ╎ ╎ ╎ ╎ 3 …imensional.jl:912; macro expansion 1╎ ╎ ╎ ╎ ╎ 1 …/cartesian.jl:0; macro expansion ╎ ╎ ╎ ╎ ╎ 2 …/cartesian.jl:64; macro expansion ╎ ╎ ╎ ╎ ╎ 1 …imensional.jl:917; macro expansion 1╎ ╎ ╎ ╎ ╎ 1 …essentials.jl:14; getindex ╎ ╎ ╎ ╎ ╎ 1 …imensional.jl:918; macro expansion 1╎ ╎ ╎ ╎ ╎ 1 …ase/range.jl:901; iterate ╎ ╎ ╎ ╎ 3 …se/broadcast.jl:911; materialize! ╎ ╎ ╎ ╎ 3 …se/broadcast.jl:914; materialize! ╎ ╎ ╎ ╎ 3 …e/broadcast.jl:956; copyto! ╎ ╎ ╎ ╎ ╎ 3 …e/broadcast.jl:997; copyto! ╎ ╎ ╎ ╎ ╎ 3 …tractarray.jl:1067; copyto! ╎ ╎ ╎ ╎ ╎ 2 …tractarray.jl:1108; copyto_unaliased!(deststyle… ╎ ╎ ╎ ╎ ╎ 2 …ractarray.jl:1395; setindex! ╎ ╎ ╎ ╎ ╎ 2 …ractarray.jl:1425; _setindex! ╎ ╎ ╎ ╎ ╎ ╎ 2 …/subarray.jl:331; setindex! 2╎ ╎ ╎ ╎ ╎ ╎ 2 …se/array.jl:1024; setindex! ╎ ╎ ╎ ╎ ╎ 1 …tractarray.jl:1109; copyto_unaliased!(deststyle… ╎ ╎ ╎ ╎ ╎ 1 …imensional.jl:408; iterate ╎ ╎ ╎ ╎ ╎ 1 …mensional.jl:433; __inc ╎ ╎ ╎ ╎ ╎ ╎ 1 …mensional.jl:440; __is_valid_range ╎ ╎ ╎ ╎ ╎ ╎ 1 …se/range.jl:1439; in 1╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/int.jl:514; <= ╎ ╎ ╎ ╎ 1 …idimensional.jl:1608; permutedims ╎ ╎ ╎ ╎ 1 @Base/array.jl:421; similar 1╎ ╎ ╎ ╎ 1 @Base/boot.jl:489; Array ╎ ╎ ╎ ╎ 3 …idimensional.jl:1609; permutedims ╎ ╎ ╎ ╎ 3 …dimensional.jl:1624; permutedims!(P::Array{Float64,… ╎ ╎ ╎ ╎ 1 …dimensional.jl:1626; macro expansion 1╎ ╎ ╎ ╎ ╎ 1 …imensional.jl:1619; checkdims_perm(P::Array{Float… ╎ ╎ ╎ ╎ 2 …dimensional.jl:1638; macro expansion 1╎ ╎ ╎ ╎ ╎ 1 …e/cartesian.jl:0; macro expansion ╎ ╎ ╎ ╎ ╎ 1 …e/cartesian.jl:64; macro expansion ╎ ╎ ╎ ╎ ╎ 1 …imensional.jl:1642; macro expansion 1╎ ╎ ╎ ╎ ╎ 1 …essentials.jl:13; getindex ╎ ╎ ╎ ╎ 3 …ElectronGrad.jl:136; ∇ERI_2e4c!(out::Array{Float64, 5… ╎ ╎ ╎ ╎ 1 …bstractarray.jl:1290; getindex ╎ ╎ ╎ ╎ 1 …idimensional.jl:889; _getindex 1╎ ╎ ╎ ╎ 1 …dimensional.jl:898; _unsafe_getindex(::IndexLinear… ╎ ╎ ╎ ╎ 1 …se/broadcast.jl:911; materialize! ╎ ╎ ╎ ╎ 1 …se/broadcast.jl:914; materialize! ╎ ╎ ╎ ╎ 1 …e/broadcast.jl:956; copyto! ╎ ╎ ╎ ╎ ╎ 1 …e/broadcast.jl:997; copyto! ╎ ╎ ╎ ╎ ╎ 1 …tractarray.jl:1067; copyto! ╎ ╎ ╎ ╎ ╎ 1 …tractarray.jl:1108; copyto_unaliased!(deststyle… ╎ ╎ ╎ ╎ ╎ 1 …ractarray.jl:1395; setindex! ╎ ╎ ╎ ╎ ╎ 1 …ractarray.jl:1425; _setindex! ╎ ╎ ╎ ╎ ╎ ╎ 1 …/subarray.jl:331; setindex! ╎ ╎ ╎ ╎ ╎ ╎ 1 …subarray.jl:268; reindex ╎ ╎ ╎ ╎ ╎ ╎ 1 …subarray.jl:268; reindex ╎ ╎ ╎ ╎ ╎ ╎ 1 …subarray.jl:268; reindex ╎ ╎ ╎ ╎ ╎ ╎ 1 …se/range.jl:930; getindex 1╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 …se/range.jl:913; _in_unit_range ╎ ╎ ╎ ╎ 1 …idimensional.jl:1609; permutedims ╎ ╎ ╎ ╎ 1 …dimensional.jl:1624; permutedims!(P::Array{Float64,… ╎ ╎ ╎ ╎ 1 …dimensional.jl:1626; macro expansion ╎ ╎ ╎ ╎ ╎ 1 …imensional.jl:1615; checkdims_perm(P::Array{Float… ╎ ╎ ╎ ╎ ╎ 1 …mbinatorics.jl:86; isperm ╎ ╎ ╎ ╎ ╎ 1 …binatorics.jl:39; _foldoneto ╎ ╎ ╎ ╎ ╎ 1 …binatorics.jl:44; macro expansion ╎ ╎ ╎ ╎ ╎ 1 …binatorics.jl:87; #899 ╎ ╎ ╎ ╎ ╎ ╎ 1 …inatorics.jl:39; _foldoneto ╎ ╎ ╎ ╎ ╎ ╎ 1 …inatorics.jl:44; macro expansion 1╎ ╎ ╎ ╎ ╎ ╎ 1 …natorics.jl:88; #900 ╎ ╎ ╎ ╎ 1 …ElectronGrad.jl:144; ∇ERI_2e4c!(out::Array{Float64, 5… ╎ ╎ ╎ ╎ 1 …idimensional.jl:1608; permutedims ╎ ╎ ╎ ╎ 1 @Base/array.jl:421; similar 1╎ ╎ ╎ ╎ 1 @Base/boot.jl:489; Array ╎ ╎ ╎ ╎ 1 …ElectronGrad.jl:147; ∇ERI_2e4c!(out::Array{Float64, 5… ╎ ╎ ╎ ╎ 1 …se/broadcast.jl:911; materialize! ╎ ╎ ╎ ╎ 1 …se/broadcast.jl:914; materialize! ╎ ╎ ╎ ╎ 1 …e/broadcast.jl:956; copyto! ╎ ╎ ╎ ╎ ╎ 1 …e/broadcast.jl:997; copyto! ╎ ╎ ╎ ╎ ╎ 1 …tractarray.jl:1067; copyto! ╎ ╎ ╎ ╎ ╎ 1 …tractarray.jl:1108; copyto_unaliased!(deststyle… ╎ ╎ ╎ ╎ ╎ 1 …ractarray.jl:1395; setindex! ╎ ╎ ╎ ╎ ╎ 1 …ractarray.jl:1425; _setindex! ╎ ╎ ╎ ╎ ╎ ╎ 1 …/subarray.jl:330; setindex! 1╎ ╎ ╎ ╎ ╎ ╎ 1 …actarray.jl:702; checkbounds ╎ ╎ ╎ ╎ 2 …ElectronGrad.jl:149; ∇ERI_2e4c!(out::Array{Float64, 5… ╎ ╎ ╎ ╎ 1 …bstractarray.jl:1290; getindex ╎ ╎ ╎ ╎ 1 …idimensional.jl:889; _getindex ╎ ╎ ╎ ╎ 1 …dimensional.jl:903; _unsafe_getindex(::IndexLinear… ╎ ╎ ╎ ╎ ╎ 1 …dimensional.jl:925; _unsafe_getindex! ╎ ╎ ╎ ╎ ╎ 1 …imensional.jl:912; macro expansion 1╎ ╎ ╎ ╎ ╎ 1 @Base/range.jl:0; macro expansion ╎ ╎ ╎ ╎ 1 …idimensional.jl:1609; permutedims ╎ ╎ ╎ ╎ 1 …dimensional.jl:1624; permutedims!(P::Array{Float64,… 1╎ ╎ ╎ ╎ 1 …dimensional.jl:1646; macro expansion ╎ ╎ ╎ ╎ 1 …ElectronGrad.jl:158; ∇ERI_2e4c!(out::Array{Float64, 5… ╎ ╎ ╎ ╎ 1 …se/broadcast.jl:911; materialize! ╎ ╎ ╎ ╎ 1 …se/broadcast.jl:914; materialize! ╎ ╎ ╎ ╎ 1 …e/broadcast.jl:309; instantiate 1╎ ╎ ╎ ╎ ╎ 1 …se/broadcast.jl:0; check_broadcast_axes ╎ ╎ ╎ ╎ 1 …ElectronGrad.jl:164; ∇ERI_2e4c!(out::Array{Float64, 5… 1╎ ╎ ╎ ╎ 1 @Base/array.jl:945; iterate ╎ ╎ ╎ 192 …test_gradients.jl:73; macro expansion ╎ ╎ ╎ ╎ 192 @Test/src/Test.jl:669; macro expansion ╎ ╎ ╎ ╎ 5 …bstractarray.jl:1290; getindex(::Array{Float64, 5}, :… ╎ ╎ ╎ ╎ 5 …idimensional.jl:889; _getindex(::IndexLinear, ::Arra… ╎ ╎ ╎ ╎ 5 …idimensional.jl:903; _unsafe_getindex(::IndexLinear… ╎ ╎ ╎ ╎ 5 …dimensional.jl:925; _unsafe_getindex! ╎ ╎ ╎ ╎ ╎ 5 …dimensional.jl:912; macro expansion ╎ ╎ ╎ ╎ ╎ 5 …e/cartesian.jl:64; macro expansion ╎ ╎ ╎ ╎ ╎ 2 …imensional.jl:917; macro expansion 1╎ ╎ ╎ ╎ ╎ 1 …ase/array.jl:1021; setindex! 1╎ ╎ ╎ ╎ ╎ 1 …ssentials.jl:14; getindex ╎ ╎ ╎ ╎ ╎ 3 …imensional.jl:918; macro expansion ╎ ╎ ╎ ╎ ╎ 3 @Base/range.jl:901; iterate 3╎ ╎ ╎ ╎ ╎ 3 …promotion.jl:521; == ╎ ╎ ╎ ╎ 184 …eDifferences.jl:44; ∇FD_ERI_2e4c(BS::BasisSet{Gaussia… ╎ ╎ ╎ ╎ 1 …eDifferences.jl:44; ∇FD_ERI_2e4c(BS::BasisSet{Gaussi… ╎ ╎ ╎ ╎ 1 …eDifferences.jl:15; create_displacement(BS::BasisSe… ╎ ╎ ╎ ╎ 1 …src/BasisSet.jl:97; BasisSet ╎ ╎ ╎ ╎ ╎ 1 …rc/BasisSet.jl:102; BasisSet(name::String, atoms:… ╎ ╎ ╎ ╎ ╎ 1 …BasisParser.jl:22; kwcall(::@NamedTuple{spherica… ╎ ╎ ╎ ╎ ╎ 1 …asisParser.jl:30; read_basisset(bname::String, … ╎ ╎ ╎ ╎ ╎ 1 @Base/stat.jl:461; isfile 1╎ ╎ ╎ ╎ ╎ 1 @Base/stat.jl:150; stat(path::String) ╎ ╎ ╎ ╎ 5 …eDifferences.jl:46; ∇FD_ERI_2e4c(BS::BasisSet{Gaussi… ╎ ╎ ╎ ╎ 1 …onFourCenter.jl:128; ERI_2e4c(BS::BasisSet{Gaussian… ╎ ╎ ╎ ╎ 1 @Base/array.jl:631; zeros ╎ ╎ ╎ ╎ ╎ 1 @Base/array.jl:633; zeros ╎ ╎ ╎ ╎ ╎ 1 @Base/array.jl:637; zeros 1╎ ╎ ╎ ╎ ╎ 1 @Base/array.jl:396; fill! ╎ ╎ ╎ ╎ 4 …onFourCenter.jl:129; ERI_2e4c(BS::BasisSet{Gaussian… ╎ ╎ ╎ ╎ 4 …nFourCenter.jl:165; ERI_2e4c!(out::Array{Float64, … ╎ ╎ ╎ ╎ ╎ 4 @Base/task.jl:486; macro expansion ╎ ╎ ╎ ╎ ╎ 4 …FourCenter.jl:166; macro expansion ╎ ╎ ╎ ╎ ╎ 1 …constructs.jl:440; macro expansion ╎ ╎ ╎ ╎ ╎ 1 @Base/task.jl:5; Task ╎ ╎ ╎ ╎ ╎ 1 @Base/task.jl:5; Task 1╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/boot.jl:455; _Task ╎ ╎ ╎ ╎ ╎ 1 …constructs.jl:442; macro expansion ╎ ╎ ╎ ╎ ╎ 1 …constructs.jl:370; _spawn_set_thrpool(t::Task,… ╎ ╎ ╎ ╎ ╎ 1 …promotion.jl:461; == 1╎ ╎ ╎ ╎ ╎ ╎ 1 …promotion.jl:521; == ╎ ╎ ╎ ╎ ╎ 2 …constructs.jl:446; macro expansion ╎ ╎ ╎ ╎ ╎ 2 @Base/task.jl:820; schedule 1╎ ╎ ╎ ╎ ╎ 1 @Base/task.jl:808; enq_work(t::Task) ╎ ╎ ╎ ╎ ╎ 1 @Base/task.jl:809; enq_work(t::Task) 1╎ ╎ ╎ ╎ ╎ ╎ 1 @Base/task.jl:709; push!(W::Base.IntrusiveLin… ╎ ╎ ╎ ╎ 5 …eDifferences.jl:47; ∇FD_ERI_2e4c(BS::BasisSet{Gaussi… ╎ ╎ ╎ ╎ 5 …onFourCenter.jl:129; ERI_2e4c(BS::BasisSet{Gaussian… ╎ ╎ ╎ ╎ 5 …nFourCenter.jl:165; ERI_2e4c!(out::Array{Float64, … ╎ ╎ ╎ ╎ ╎ 5 @Base/task.jl:486; macro expansion ╎ ╎ ╎ ╎ ╎ 5 …FourCenter.jl:166; macro expansion ╎ ╎ ╎ ╎ ╎ 2 …constructs.jl:440; macro expansion ╎ ╎ ╎ ╎ ╎ 2 @Base/task.jl:5; Task ╎ ╎ ╎ ╎ ╎ 2 @Base/task.jl:5; Task 2╎ ╎ ╎ ╎ ╎ ╎ 2 @Base/boot.jl:455; _Task ╎ ╎ ╎ ╎ ╎ 3 …constructs.jl:444; macro expansion ╎ ╎ ╎ ╎ ╎ 3 …e/channels.jl:342; put! 2╎ ╎ ╎ ╎ ╎ 2 …/channels.jl:358; put_buffered(c::Channel{Any… 1╎ ╎ ╎ ╎ ╎ 1 …/channels.jl:370; put_buffered(c::Channel{Any… ╎ ╎ ╎ ╎ 173 …eDifferences.jl:49; ∇FD_ERI_2e4c(BS::BasisSet{Gaussi… ╎ ╎ ╎ ╎ 173 …se/broadcast.jl:903; materialize ╎ ╎ ╎ ╎ 173 …e/broadcast.jl:928; copy ╎ ╎ ╎ ╎ ╎ 3 …e/broadcast.jl:956; copyto! ╎ ╎ ╎ ╎ ╎ 3 …/broadcast.jl:1003; copyto! ╎ ╎ ╎ ╎ ╎ 3 …e/simdloop.jl:77; macro expansion ╎ ╎ ╎ ╎ ╎ 3 …broadcast.jl:1004; macro expansion ╎ ╎ ╎ ╎ ╎ 3 …mensional.jl:698; setindex! 3╎ ╎ ╎ ╎ ╎ ╎ 3 …se/array.jl:1024; setindex! ╎ ╎ ╎ ╎ ╎ 170 …e/broadcast.jl:223; similar ╎ ╎ ╎ ╎ ╎ 170 …/broadcast.jl:224; similar ╎ ╎ ╎ ╎ ╎ 170 …tractarray.jl:875; similar ╎ ╎ ╎ ╎ ╎ 170 …tractarray.jl:876; similar ╎ ╎ ╎ ╎ ╎ 170 @Base/boot.jl:494; Array 169╎ ╎ ╎ ╎ ╎ ╎ 170 @Base/boot.jl:489; Array ╎ ╎ ╎ ╎ 3 …est/src/Test.jl:355; eval_test(evaluated::Expr, quote… ╎ ╎ ╎ ╎ 3 …/src/generic.jl:1785; isapprox(x::Array{Float64, 4},… ╎ ╎ ╎ ╎ 2 …src/generic.jl:1789; isapprox(x::Array{Float64, 4},… ╎ ╎ ╎ ╎ 2 …se/arraymath.jl:8; -(A::Array{Float64, 4}, B::Arra… ╎ ╎ ╎ ╎ ╎ 2 …e/broadcast.jl:892; broadcast_preserving_zero_d ╎ ╎ ╎ ╎ ╎ 2 …/broadcast.jl:903; materialize ╎ ╎ ╎ ╎ ╎ 2 …/broadcast.jl:928; copy ╎ ╎ ╎ ╎ ╎ 2 …/broadcast.jl:956; copyto! ╎ ╎ ╎ ╎ ╎ 1 …broadcast.jl:1000; copyto! ╎ ╎ ╎ ╎ ╎ ╎ 1 …broadcast.jl:983; preprocess ╎ ╎ ╎ ╎ ╎ ╎ 1 …roadcast.jl:986; preprocess_args ╎ ╎ ╎ ╎ ╎ ╎ 1 …roadcast.jl:984; preprocess ╎ ╎ ╎ ╎ ╎ ╎ 1 …roadcast.jl:676; extrude ╎ ╎ ╎ ╎ ╎ ╎ 1 …roadcast.jl:625; newindexer ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 …roadcast.jl:626; shapeindexer ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 …roadcast.jl:630; _newindexer ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 …roadcast.jl:630; _newindexer ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 …roadcast.jl:631; _newindexer ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 …perators.jl:276; != 1╎ ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 …romotion.jl:521; == ╎ ╎ ╎ ╎ ╎ 1 …broadcast.jl:1003; copyto! ╎ ╎ ╎ ╎ ╎ ╎ 1 …/simdloop.jl:77; macro expansion ╎ ╎ ╎ ╎ ╎ ╎ 1 …roadcast.jl:1004; macro expansion ╎ ╎ ╎ ╎ ╎ ╎ 1 …ensional.jl:698; setindex! 1╎ ╎ ╎ ╎ ╎ ╎ 1 …se/array.jl:1024; setindex! ╎ ╎ ╎ ╎ 1 …src/generic.jl:1791; isapprox(x::Array{Float64, 4},… ╎ ╎ ╎ ╎ 1 …src/generic.jl:596; norm ╎ ╎ ╎ ╎ ╎ 1 …src/generic.jl:598; norm(itr::Array{Float64, 4}, … ╎ ╎ ╎ ╎ ╎ 1 …/src/dense.jl:106; norm2 1╎ ╎ ╎ ╎ ╎ 1 …a/src/blas.jl:434; nrm2 Task 0x000074df0d3379e0 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:187; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 @Base/abstractarray.jl:1290; getindex ╎ 1 …ase/multidimensional.jl:889; _getindex ╎ 1 …ase/multidimensional.jl:898; _unsafe_getindex(::IndexLinear, ::Array{Fl… Task 0x000074df0d35a0e0 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df0d3b20e0 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df0d3f2d60 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:192; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 @Base/abstractarray.jl:1290; getindex ╎ 1 …ase/multidimensional.jl:889; _getindex ╎ 1 …ase/multidimensional.jl:903; _unsafe_getindex(::IndexLinear, ::Array{Fl… ╎ 1 …se/multidimensional.jl:925; _unsafe_getindex! ╎ 1 …se/multidimensional.jl:912; macro expansion ╎ ╎ 1 @Base/cartesian.jl:66; macro expansion Task 0x000074df0d417d00 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df0d426720 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:192; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 @Base/abstractarray.jl:1290; getindex ╎ 1 …ase/multidimensional.jl:889; _getindex ╎ 1 …ase/multidimensional.jl:901; _unsafe_getindex(::IndexLinear, ::Array{Fl… ╎ 1 @Base/abstractarray.jl:830; similar ╎ 1 @Base/array.jl:420; similar ╎ ╎ 1 @Base/boot.jl:489; Array Task 0x000074df0d451dc0 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df0d471aa0 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df0d475780 Total snapshots: 1. Utilization: 100% Task 0x000074df0d4933a0 Total snapshots: 1. Utilization: 100% ╎1 @Base/task.jl:682; task_done_hook(t::Task) ╎ 1 @Base/task.jl:1008; wait() ╎ 1 @Base/task.jl:997; poptask(W::Base.IntrusiveLinkedListSynchronized{Task}) ╎ 1 @Base/task.jl:979; trypoptask(W::Base.IntrusiveLinkedListSynchronized{Ta… ╎ 1 @Base/task.jl:737; popfirst!(W::Base.IntrusiveLinkedListSynchronized{Ta… ╎ 1 @Base/linked_list.jl:86; popfirst! ╎ ╎ 1 @Base/linked_list.jl:98; list_deletefirst! Task 0x000074df0d4a60e0 Total snapshots: 1. Utilization: 100% Task 0x000074df0d4cf850 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:182; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …ase/multidimensional.jl:1609; permutedims ╎ 1 …ase/multidimensional.jl:1624; permutedims!(P::Array{Float64, 4}, B::Arra… ╎ 1 …se/multidimensional.jl:1638; macro expansion ╎ 1 @Base/cartesian.jl:66; macro expansion ╎ 1 @Base/range.jl:901; iterate ╎ ╎ 1 @Base/promotion.jl:521; == Task 0x000074df0d514e20 Total snapshots: 1. Utilization: 100% ╎1 @Base/task.jl:660; task_done_hook(t::Task) Task 0x000074df0d53ed60 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:192; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 @Base/abstractarray.jl:1290; getindex ╎ 1 …ase/multidimensional.jl:889; _getindex ╎ 1 …ase/multidimensional.jl:903; _unsafe_getindex(::IndexLinear, ::Array{Fl… ╎ 1 …se/multidimensional.jl:925; _unsafe_getindex! ╎ 1 …se/multidimensional.jl:912; macro expansion ╎ ╎ 1 @Base/cartesian.jl:64; macro expansion ╎ ╎ 1 …e/multidimensional.jl:918; macro expansion ╎ ╎ 1 @Base/range.jl:901; iterate Task 0x000074df0d5539e0 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df0d5f2d60 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 @Base/broadcast.jl:903; materialize ╎ 1 @Base/broadcast.jl:928; copy ╎ 1 @Base/broadcast.jl:223; similar ╎ ╎ 1 @Base/broadcast.jl:224; similar ╎ ╎ 1 @Base/abstractarray.jl:875; similar ╎ ╎ 1 @Base/abstractarray.jl:876; similar ╎ ╎ 1 @Base/boot.jl:494; Array ╎ ╎ 1 @Base/boot.jl:486; Array ╎ ╎ ╎ 1 @Base/boot.jl:477; Array Task 0x000074df0d81f9e0 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:192; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 @Base/broadcast.jl:1244; dotview ╎ 1 @Base/views.jl:148; maybeview ╎ 1 @Base/subarray.jl:184; view ╎ 1 @Base/abstractarray.jl:702; checkbounds ╎ 1 @Base/abstractarray.jl:681; checkbounds ╎ ╎ 1 @Base/abstractarray.jl:728; checkbounds_indices ╎ ╎ 1 @Base/abstractarray.jl:728; checkbounds_indices ╎ ╎ 1 @Base/abstractarray.jl:728; checkbounds_indices ╎ ╎ 1 …ase/abstractarray.jl:767; checkindex ╎ ╎ 1 …ase/abstractarray.jl:762; checkindex ╎ ╎ ╎ 1 @Base/int.jl:86; - Task 0x000074df0d9ebb70 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df11405460 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:187; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …ase/multidimensional.jl:1608; permutedims ╎ 1 @Base/array.jl:421; similar ╎ 1 @Base/boot.jl:489; Array Task 0x000074df10122720 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df10134970 Total snapshots: 1. Utilization: 100% ╎1 @Base/task.jl:682; task_done_hook(t::Task) ╎ 1 @Base/task.jl:1008; wait() ╎ 1 @Base/task.jl:997; poptask(W::Base.IntrusiveLinkedListSynchronized{Task}) ╎ 1 @Base/task.jl:979; trypoptask(W::Base.IntrusiveLinkedListSynchronized{Ta… Task 0x000074df1013d5f0 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df1016dc30 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:187; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …ase/multidimensional.jl:1608; permutedims ╎ 1 @Base/array.jl:421; similar ╎ 1 @Base/boot.jl:489; Array Task 0x000074df10207d00 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:192; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 @Base/abstractarray.jl:1290; getindex ╎ 1 …ase/multidimensional.jl:889; _getindex ╎ 1 …ase/multidimensional.jl:901; _unsafe_getindex(::IndexLinear, ::Array{Fl… ╎ 1 @Base/abstractarray.jl:830; similar ╎ 1 @Base/array.jl:420; similar ╎ ╎ 1 @Base/boot.jl:489; Array Task 0x000074df1023ed60 Total snapshots: 1. Utilization: 100% ╎1 @Base/multidimensional.jl:898; _unsafe_getindex(::IndexLinear, ::Array{Floa… Task 0x000074df10241460 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df1025fb70 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:194; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 @Base/abstractarray.jl:1290; getindex ╎ 1 …ase/multidimensional.jl:889; _getindex ╎ 1 …ase/multidimensional.jl:901; _unsafe_getindex(::IndexLinear, ::Array{Fl… ╎ 1 @Base/abstractarray.jl:830; similar ╎ 1 @Base/array.jl:420; similar ╎ ╎ 1 @Base/boot.jl:489; Array Task 0x000074df1026df50 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:192; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …ase/multidimensional.jl:1608; permutedims ╎ 1 @Base/array.jl:421; similar ╎ 1 @Base/boot.jl:489; Array Task 0x000074df102939e0 Total snapshots: 1. 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Utilization: 100% ╎1 …TwoElectronFourCenter.jl:178; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 @Base/broadcast.jl:911; materialize! ╎ 1 @Base/broadcast.jl:914; materialize! ╎ 1 @Base/broadcast.jl:956; copyto! ╎ 1 @Base/broadcast.jl:997; copyto! ╎ 1 @Base/abstractarray.jl:1067; copyto! ╎ ╎ 1 @Base/abstractarray.jl:1108; copyto_unaliased!(deststyle::IndexCartes… ╎ ╎ 1 @Base/abstractarray.jl:1395; setindex! ╎ ╎ 1 …ase/abstractarray.jl:1425; _setindex! ╎ ╎ 1 @Base/subarray.jl:331; setindex! ╎ ╎ 1 @Base/array.jl:1024; setindex! Task 0x000074df1030f530 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:187; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 @Base/broadcast.jl:911; materialize! ╎ 1 @Base/broadcast.jl:914; materialize! ╎ 1 @Base/broadcast.jl:956; copyto! ╎ 1 @Base/broadcast.jl:997; copyto! ╎ 1 @Base/abstractarray.jl:1067; copyto! ╎ ╎ 1 @Base/abstractarray.jl:1108; copyto_unaliased!(deststyle::IndexCartes… ╎ ╎ 1 @Base/abstractarray.jl:1395; setindex! ╎ ╎ 1 …ase/abstractarray.jl:1425; _setindex! ╎ ╎ 1 @Base/subarray.jl:331; setindex! ╎ ╎ 1 @Base/array.jl:1024; setindex! Task 0x000074df10310c90 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df104ea590 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df104ec4c0 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:196; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …ase/multidimensional.jl:1609; permutedims ╎ 1 …ase/multidimensional.jl:1624; permutedims!(P::Array{Float64, 4}, B::Arra… ╎ 1 …se/multidimensional.jl:1638; macro expansion ╎ 1 @Base/cartesian.jl:63; macro expansion ╎ 1 @Base/int.jl:88; * Task 0x000074df1053a590 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:192; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …ase/multidimensional.jl:1608; permutedims ╎ 1 @Base/array.jl:421; similar ╎ 1 @Base/boot.jl:489; Array Task 0x000074df10546400 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:184; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …ase/multidimensional.jl:1609; permutedims ╎ 1 …ase/multidimensional.jl:1624; permutedims!(P::Array{Float64, 4}, B::Arra… ╎ 1 …se/multidimensional.jl:1638; macro expansion ╎ 1 @Base/cartesian.jl:64; macro expansion ╎ 1 …e/multidimensional.jl:1642; macro expansion ╎ ╎ 1 @Base/essentials.jl:13; getindex Task 0x000074df1058bd00 Total snapshots: 1. Utilization: 100% ╎1 @Base/task.jl:682; task_done_hook(t::Task) ╎ 1 @Base/task.jl:1008; wait() ╎ 1 @Base/task.jl:997; poptask(W::Base.IntrusiveLinkedListSynchronized{Task}) ╎ 1 @Base/task.jl:979; trypoptask(W::Base.IntrusiveLinkedListSynchronized{Ta… ╎ 1 @Base/task.jl:737; popfirst!(W::Base.IntrusiveLinkedListSynchronized{Ta… ╎ 1 @Base/linked_list.jl:86; popfirst! ╎ ╎ 1 @Base/linked_list.jl:98; list_deletefirst! Task 0x000074df105cd2d0 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:187; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 @Base/broadcast.jl:911; materialize! ╎ 1 @Base/broadcast.jl:914; materialize! ╎ 1 @Base/broadcast.jl:956; copyto! ╎ 1 @Base/broadcast.jl:997; copyto! ╎ 1 @Base/abstractarray.jl:1067; copyto! ╎ ╎ 1 @Base/abstractarray.jl:0; copyto_unaliased!(deststyle::IndexCartesian… Task 0x000074df105e8330 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df1068e400 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:190; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …ase/multidimensional.jl:1608; permutedims ╎ 1 @Base/array.jl:421; similar ╎ 1 @Base/boot.jl:489; Array Task 0x000074df106efb70 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:184; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 @Base/abstractarray.jl:1290; getindex ╎ 1 …ase/multidimensional.jl:889; _getindex ╎ 1 …ase/multidimensional.jl:901; _unsafe_getindex(::IndexLinear, ::Array{Fl… ╎ 1 @Base/abstractarray.jl:830; similar ╎ 1 @Base/array.jl:420; similar ╎ ╎ 1 @Base/boot.jl:489; Array Task 0x000074df106ee0e0 Total snapshots: 12. Utilization: 100% ╎12 …woElectronFourCenter.jl:211; (::GaussianBasis.var"#65#67"{Array{Float64,… ╎ 12 …se/multidimensional.jl:1608; permutedims ╎ 12 @Base/array.jl:421; similar 11╎ 12 @Base/boot.jl:489; Array Task 0x000074df1072f530 Total snapshots: 1. Utilization: 100% Task 0x000074df10b32a40 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 @Base/broadcast.jl:903; materialize ╎ 1 @Base/broadcast.jl:928; copy ╎ 1 @Base/broadcast.jl:223; similar ╎ ╎ 1 @Base/broadcast.jl:224; similar ╎ ╎ 1 @Base/abstractarray.jl:875; similar ╎ ╎ 1 @Base/abstractarray.jl:876; similar ╎ ╎ 1 @Base/boot.jl:494; Array ╎ ╎ 1 @Base/boot.jl:486; Array ╎ ╎ ╎ 1 @Base/boot.jl:477; Array Task 0x000074df103a7d00 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df111b2d60 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:192; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 @Base/abstractarray.jl:1290; getindex ╎ 1 …ase/multidimensional.jl:889; _getindex ╎ 1 …ase/multidimensional.jl:903; _unsafe_getindex(::IndexLinear, ::Array{Fl… ╎ 1 …se/multidimensional.jl:925; _unsafe_getindex! ╎ 1 …se/multidimensional.jl:912; macro expansion ╎ ╎ 1 @Base/cartesian.jl:64; macro expansion ╎ ╎ 1 …e/multidimensional.jl:918; macro expansion ╎ ╎ 1 @Base/range.jl:901; iterate Task 0x000074df106e8970 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df10baa400 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df103caef0 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df0e47d780 Total snapshots: 1. Utilization: 100% ╎1 @Base/task.jl:682; task_done_hook(t::Task) ╎ 1 @Base/task.jl:1009; wait() ╎ 1 @Base/task.jl:935; try_yieldto(undo::typeof(Base.ensure_rescheduled)) Task 0x000074df10369780 Total snapshots: 1. Utilization: 100% ╎1 @Base/task.jl:682; task_done_hook(t::Task) ╎ 1 @Base/task.jl:1008; wait() ╎ 1 @Base/task.jl:997; poptask(W::Base.IntrusiveLinkedListSynchronized{Task}) ╎ 1 @Base/task.jl:979; trypoptask(W::Base.IntrusiveLinkedListSynchronized{Ta… ╎ 1 @Base/task.jl:735; popfirst!(W::Base.IntrusiveLinkedListSynchronized{Ta… ╎ 1 @Base/locks-mt.jl:41; lock(l::Base.Threads.SpinLock) Task 0x000074df1104dc30 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df105a4c90 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:187; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …ase/multidimensional.jl:1608; permutedims ╎ 1 @Base/array.jl:421; similar ╎ 1 @Base/boot.jl:489; Array Task 0x000074df104b5780 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df10515910 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df10e6b850 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:190; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …ase/multidimensional.jl:1608; permutedims ╎ 1 @Base/array.jl:421; similar ╎ 1 @Base/boot.jl:489; Array Task 0x000074df10a741a0 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df1090e8b0 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df106c9140 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df106b3850 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 @Base/broadcast.jl:903; materialize ╎ 1 @Base/broadcast.jl:928; copy ╎ 1 @Base/broadcast.jl:223; similar ╎ ╎ 1 @Base/broadcast.jl:224; similar ╎ ╎ 1 @Base/abstractarray.jl:875; similar ╎ ╎ 1 @Base/abstractarray.jl:876; similar ╎ ╎ 1 @Base/boot.jl:494; Array ╎ ╎ 1 @Base/boot.jl:486; Array ╎ ╎ ╎ 1 @Base/boot.jl:477; Array Task 0x000074df1066ce20 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:178; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 @Base/reshapedarray.jl:51; reshape Task 0x000074df1050c7e0 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df1035e720 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:211; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 @Base/broadcast.jl:1244; dotview ╎ 1 @Base/views.jl:148; maybeview ╎ 1 @Base/subarray.jl:184; view ╎ 1 @Base/abstractarray.jl:702; checkbounds ╎ 1 @Base/abstractarray.jl:681; checkbounds ╎ ╎ 1 @Base/abstractarray.jl:728; checkbounds_indices ╎ ╎ 1 @Base/abstractarray.jl:728; checkbounds_indices ╎ ╎ 1 @Base/abstractarray.jl:728; checkbounds_indices ╎ ╎ 1 …ase/abstractarray.jl:728; checkbounds_indices ╎ ╎ 1 …ase/abstractarray.jl:767; checkindex ╎ ╎ ╎ 1 …se/abstractarray.jl:762; checkindex ╎ ╎ ╎ 1 @Base/int.jl:513; < Task 0x000074df10300650 Total snapshots: 1. Utilization: 100% ╎1 @Base/task.jl:682; task_done_hook(t::Task) ╎ 1 @Base/task.jl:1008; wait() ╎ 1 @Base/task.jl:997; poptask(W::Base.IntrusiveLinkedListSynchronized{Task}) ╎ 1 @Base/task.jl:979; trypoptask(W::Base.IntrusiveLinkedListSynchronized{Ta… Task 0x000074df102cce20 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:182; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …ase/multidimensional.jl:1609; permutedims ╎ 1 …ase/multidimensional.jl:1624; permutedims!(P::Array{Float64, 4}, B::Arra… ╎ 1 …se/multidimensional.jl:1638; macro expansion ╎ 1 @Base/cartesian.jl:66; macro expansion Task 0x000074df1029f6c0 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df1028df50 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:213; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 @Base/abstractarray.jl:1290; getindex ╎ 1 …ase/multidimensional.jl:889; _getindex ╎ 1 …ase/multidimensional.jl:903; _unsafe_getindex(::IndexLinear, ::Array{Fl… ╎ 1 …se/multidimensional.jl:925; _unsafe_getindex! ╎ 1 …se/multidimensional.jl:912; macro expansion ╎ ╎ 1 @Base/range.jl:0; macro expansion Task 0x000074df1023b9e0 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:200; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 @Base/abstractarray.jl:1290; getindex ╎ 1 …ase/multidimensional.jl:889; _getindex ╎ 1 …ase/multidimensional.jl:903; _unsafe_getindex(::IndexLinear, ::Array{Fl… ╎ 1 …se/multidimensional.jl:925; _unsafe_getindex! ╎ 1 …se/multidimensional.jl:912; macro expansion ╎ ╎ 1 @Base/cartesian.jl:64; macro expansion ╎ ╎ 1 …e/multidimensional.jl:918; macro expansion ╎ ╎ 1 @Base/range.jl:901; iterate ╎ ╎ 1 @Base/promotion.jl:521; == Task 0x000074df102328b0 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:182; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 @Base/broadcast.jl:911; materialize! ╎ 1 @Base/broadcast.jl:914; materialize! ╎ 1 @Base/broadcast.jl:956; copyto! ╎ 1 @Base/broadcast.jl:997; copyto! ╎ 1 @Base/abstractarray.jl:1067; copyto! ╎ ╎ 1 @Base/abstractarray.jl:0; copyto_unaliased!(deststyle::IndexCartesian… Task 0x000074df101b95f0 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:184; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 @Base/abstractarray.jl:1290; getindex ╎ 1 …ase/multidimensional.jl:889; _getindex ╎ 1 …ase/multidimensional.jl:901; _unsafe_getindex(::IndexLinear, ::Array{Fl… ╎ 1 @Base/abstractarray.jl:830; similar ╎ 1 @Base/array.jl:420; similar ╎ ╎ 1 @Base/boot.jl:489; Array Task 0x000074df1018c650 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:196; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …ase/multidimensional.jl:1609; permutedims ╎ 1 …ase/multidimensional.jl:1624; permutedims!(P::Array{Float64, 4}, B::Arra… ╎ 1 …se/multidimensional.jl:1626; macro expansion ╎ 1 …se/multidimensional.jl:1615; checkdims_perm(P::Array{Float64, 4}, B::A… ╎ 1 @Base/combinatorics.jl:86; isperm ╎ ╎ 1 @Base/combinatorics.jl:39; _foldoneto ╎ ╎ 1 @Base/combinatorics.jl:44; macro expansion ╎ ╎ 1 @Base/combinatorics.jl:87; #899 ╎ ╎ 1 @Base/combinatorics.jl:39; _foldoneto ╎ ╎ 1 …ase/combinatorics.jl:44; macro expansion ╎ ╎ ╎ 1 …ase/combinatorics.jl:88; #900 Task 0x000074df0ffe55f0 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:182; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …ase/multidimensional.jl:1609; permutedims ╎ 1 …ase/multidimensional.jl:1624; permutedims!(P::Array{Float64, 4}, B::Arra… ╎ 1 …se/multidimensional.jl:1638; macro expansion ╎ 1 @Base/cartesian.jl:66; macro expansion ╎ 1 @Base/range.jl:901; iterate ╎ ╎ 1 @Base/promotion.jl:521; == Task 0x000074df0ff6c4c0 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:178; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 @Base/broadcast.jl:911; materialize! ╎ 1 @Base/broadcast.jl:914; materialize! ╎ 1 @Base/broadcast.jl:956; copyto! ╎ 1 @Base/broadcast.jl:997; copyto! ╎ 1 @Base/abstractarray.jl:1067; copyto! ╎ ╎ 1 @Base/abstractarray.jl:0; copyto_unaliased!(deststyle::IndexCartesian… Task 0x000074df0fe39c30 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df0fdfe590 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df0fded140 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:190; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …ase/multidimensional.jl:1609; permutedims ╎ 1 …ase/multidimensional.jl:1624; permutedims!(P::Array{Float64, 4}, B::Arra… ╎ 1 …se/multidimensional.jl:1638; macro expansion ╎ 1 @Base/cartesian.jl:0; macro expansion Task 0x000074df0fbd60e0 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df0f853080 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df0f805f50 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df0f7b2720 Total snapshots: 1. Utilization: 100% Task 0x000074df0f756590 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df0f720b00 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:192; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …ase/multidimensional.jl:1609; permutedims ╎ 1 …ase/multidimensional.jl:1624; permutedims!(P::Array{Float64, 4}, B::Arra… ╎ 1 …se/multidimensional.jl:1626; macro expansion ╎ 1 …se/multidimensional.jl:1615; checkdims_perm(P::Array{Float64, 4}, B::A… ╎ 1 @Base/combinatorics.jl:86; isperm ╎ ╎ 1 @Base/combinatorics.jl:39; _foldoneto ╎ ╎ 1 @Base/combinatorics.jl:44; macro expansion ╎ ╎ 1 @Base/combinatorics.jl:87; #899 ╎ ╎ 1 @Base/combinatorics.jl:39; _foldoneto ╎ ╎ 1 …ase/combinatorics.jl:44; macro expansion ╎ ╎ ╎ 1 …ase/combinatorics.jl:88; #900 Task 0x000074df0f6820e0 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df0f584e20 Total snapshots: 1. Utilization: 100% ╎1 @Base/task.jl:682; task_done_hook(t::Task) ╎ 1 @Base/task.jl:1009; wait() ╎ 1 @Base/task.jl:935; try_yieldto(undo::typeof(Base.ensure_rescheduled)) Task 0x000074df0f566400 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:194; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 @Base/broadcast.jl:911; materialize! ╎ 1 @Base/broadcast.jl:914; materialize! ╎ 1 @Base/broadcast.jl:956; copyto! ╎ 1 @Base/broadcast.jl:997; copyto! ╎ 1 @Base/abstractarray.jl:1067; copyto! ╎ ╎ 1 @Base/abstractarray.jl:1108; copyto_unaliased!(deststyle::IndexCartes… ╎ ╎ 1 @Base/abstractarray.jl:1395; setindex! ╎ ╎ 1 …ase/abstractarray.jl:1425; _setindex! ╎ ╎ 1 @Base/subarray.jl:331; setindex! ╎ ╎ 1 @Base/array.jl:1024; setindex! Task 0x000074df0f4bf6c0 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df0f4b0970 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:182; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …ase/multidimensional.jl:1609; permutedims ╎ 1 …ase/multidimensional.jl:1624; permutedims!(P::Array{Float64, 4}, B::Arra… ╎ 1 …se/multidimensional.jl:1638; macro expansion ╎ 1 @Base/cartesian.jl:66; macro expansion ╎ 1 @Base/range.jl:901; iterate ╎ ╎ 1 @Base/promotion.jl:521; == Task 0x000074df0f45fb70 Total snapshots: 1. Utilization: 100% Task 0x000074df0f442400 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df0f3f2ef0 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df0f3da270 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:178; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 @Base/broadcast.jl:911; materialize! ╎ 1 @Base/broadcast.jl:914; materialize! ╎ 1 @Base/broadcast.jl:956; copyto! ╎ 1 @Base/broadcast.jl:997; copyto! ╎ 1 @Base/abstractarray.jl:1067; copyto! ╎ ╎ 1 @Base/abstractarray.jl:0; copyto_unaliased!(deststyle::IndexCartesian… Task 0x000074df0f3cd910 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:182; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 @Base/broadcast.jl:911; materialize! ╎ 1 @Base/broadcast.jl:914; materialize! ╎ 1 @Base/broadcast.jl:956; copyto! ╎ 1 @Base/broadcast.jl:997; copyto! ╎ 1 @Base/abstractarray.jl:1067; copyto! ╎ ╎ 1 @Base/abstractarray.jl:1108; copyto_unaliased!(deststyle::IndexCartes… ╎ ╎ 1 @Base/abstractarray.jl:1395; setindex! ╎ ╎ 1 …ase/abstractarray.jl:1425; _setindex! ╎ ╎ 1 @Base/subarray.jl:331; setindex! ╎ ╎ 1 @Base/array.jl:1024; setindex! Task 0x000074df0f3c15f0 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:187; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 @Base/broadcast.jl:911; materialize! ╎ 1 @Base/broadcast.jl:914; materialize! ╎ 1 @Base/broadcast.jl:956; copyto! ╎ 1 @Base/broadcast.jl:997; copyto! ╎ 1 @Base/abstractarray.jl:1067; copyto! ╎ ╎ 1 @Base/abstractarray.jl:1108; copyto_unaliased!(deststyle::IndexCartes… ╎ ╎ 1 @Base/abstractarray.jl:1395; setindex! ╎ ╎ 1 …ase/abstractarray.jl:1425; _setindex! ╎ ╎ 1 @Base/subarray.jl:331; setindex! ╎ ╎ 1 @Base/array.jl:1024; setindex! Task 0x000074df0f35a8b0 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:194; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 @Base/broadcast.jl:911; materialize! ╎ 1 @Base/broadcast.jl:914; materialize! ╎ 1 @Base/broadcast.jl:956; copyto! ╎ 1 @Base/broadcast.jl:997; copyto! ╎ 1 @Base/abstractarray.jl:1067; copyto! ╎ ╎ 1 @Base/abstractarray.jl:1108; copyto_unaliased!(deststyle::IndexCartes… ╎ ╎ 1 @Base/abstractarray.jl:1395; setindex! ╎ ╎ 1 …ase/abstractarray.jl:1425; _setindex! ╎ ╎ 1 @Base/subarray.jl:331; setindex! ╎ ╎ 1 @Base/array.jl:1024; setindex! Task 0x000074df0f33aa40 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:184; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 @Base/broadcast.jl:911; materialize! ╎ 1 @Base/broadcast.jl:914; materialize! ╎ 1 @Base/broadcast.jl:956; copyto! ╎ 1 @Base/broadcast.jl:997; copyto! ╎ 1 @Base/abstractarray.jl:1067; copyto! ╎ ╎ 1 @Base/abstractarray.jl:0; copyto_unaliased!(deststyle::IndexCartesian… Task 0x000074df0f2b2ef0 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:196; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 @Base/broadcast.jl:911; materialize! ╎ 1 @Base/broadcast.jl:914; materialize! ╎ 1 @Base/broadcast.jl:956; copyto! ╎ 1 @Base/broadcast.jl:997; copyto! ╎ 1 @Base/abstractarray.jl:1067; copyto! ╎ ╎ 1 @Base/abstractarray.jl:1108; copyto_unaliased!(deststyle::IndexCartes… ╎ ╎ 1 @Base/abstractarray.jl:1395; setindex! ╎ ╎ 1 …ase/abstractarray.jl:1425; _setindex! ╎ ╎ 1 @Base/subarray.jl:331; setindex! ╎ ╎ 1 @Base/array.jl:1024; setindex! Task 0x000074df0f1acb00 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:184; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 @Base/abstractarray.jl:1290; getindex ╎ 1 …ase/multidimensional.jl:889; _getindex ╎ 1 …ase/multidimensional.jl:903; _unsafe_getindex(::IndexLinear, ::Array{Fl… ╎ 1 …se/multidimensional.jl:925; _unsafe_getindex! ╎ 1 …se/multidimensional.jl:912; macro expansion ╎ ╎ 1 @Base/cartesian.jl:64; macro expansion ╎ ╎ 1 …e/multidimensional.jl:917; macro expansion ╎ ╎ 1 @Base/essentials.jl:14; getindex Task 0x000074df0f184650 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:196; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 @Base/broadcast.jl:911; materialize! ╎ 1 @Base/broadcast.jl:914; materialize! ╎ 1 @Base/broadcast.jl:956; copyto! ╎ 1 @Base/broadcast.jl:997; copyto! ╎ 1 @Base/abstractarray.jl:1067; copyto! ╎ ╎ 1 @Base/abstractarray.jl:1108; copyto_unaliased!(deststyle::IndexCartes… ╎ ╎ 1 @Base/abstractarray.jl:1395; setindex! ╎ ╎ 1 …ase/abstractarray.jl:1425; _setindex! ╎ ╎ 1 @Base/subarray.jl:331; setindex! ╎ ╎ 1 @Base/array.jl:1024; setindex! Task 0x000074df0f135f50 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:184; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 @Base/broadcast.jl:911; materialize! ╎ 1 @Base/broadcast.jl:914; materialize! ╎ 1 @Base/broadcast.jl:956; copyto! ╎ 1 @Base/broadcast.jl:997; copyto! ╎ 1 @Base/abstractarray.jl:1067; copyto! ╎ ╎ 1 @Base/abstractarray.jl:1108; copyto_unaliased!(deststyle::IndexCartes… ╎ ╎ 1 @Base/abstractarray.jl:1395; setindex! ╎ ╎ 1 …ase/abstractarray.jl:1425; _setindex! ╎ ╎ 1 @Base/subarray.jl:331; setindex! ╎ ╎ 1 @Base/array.jl:1024; setindex! Task 0x000074df0f0d9140 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df0f0d1140 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:196; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 @Base/broadcast.jl:911; materialize! ╎ 1 @Base/broadcast.jl:914; materialize! ╎ 1 @Base/broadcast.jl:956; copyto! ╎ 1 @Base/broadcast.jl:997; copyto! ╎ 1 @Base/abstractarray.jl:1067; copyto! ╎ ╎ 1 @Base/abstractarray.jl:1108; copyto_unaliased!(deststyle::IndexCartes… ╎ ╎ 1 @Base/abstractarray.jl:1395; setindex! ╎ ╎ 1 …ase/abstractarray.jl:1425; _setindex! ╎ ╎ 1 @Base/subarray.jl:331; setindex! ╎ ╎ 1 @Base/array.jl:1024; setindex! Task 0x000074df0effa720 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:187; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 @Base/broadcast.jl:911; materialize! ╎ 1 @Base/broadcast.jl:914; materialize! ╎ 1 @Base/broadcast.jl:309; instantiate ╎ 1 @Base/broadcast.jl:582; check_broadcast_axes ╎ 1 @Base/abstractarray.jl:98; axes ╎ ╎ 1 @Base/array.jl:193; size ╎ ╎ 1 @Base/ntuple.jl:69; ntuple ╎ ╎ 1 @Base/ntuple.jl:72; macro expansion ╎ ╎ 1 @Base/array.jl:193; #112 ╎ ╎ 1 @Base/array.jl:190; size Task 0x000074df0eff0e20 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df0efdf6c0 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df0efdc4c0 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:200; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 @Base/broadcast.jl:911; materialize! ╎ 1 @Base/broadcast.jl:914; materialize! ╎ 1 @Base/broadcast.jl:956; copyto! ╎ 1 @Base/broadcast.jl:997; copyto! ╎ 1 @Base/abstractarray.jl:1067; copyto! ╎ ╎ 1 @Base/abstractarray.jl:1108; copyto_unaliased!(deststyle::IndexCartes… ╎ ╎ 1 @Base/abstractarray.jl:1395; setindex! ╎ ╎ 1 …ase/abstractarray.jl:1425; _setindex! ╎ ╎ 1 @Base/subarray.jl:331; setindex! ╎ ╎ 1 @Base/array.jl:1024; setindex! Task 0x000074df0efc5140 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:190; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …ase/multidimensional.jl:1609; permutedims ╎ 1 …ase/multidimensional.jl:1624; permutedims!(P::Array{Float64, 4}, B::Arra… ╎ 1 …se/multidimensional.jl:1638; macro expansion ╎ 1 @Base/cartesian.jl:66; macro expansion ╎ 1 @Base/range.jl:901; iterate ╎ ╎ 1 @Base/promotion.jl:521; == Task 0x000074df0efb4330 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:184; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 @Base/abstractarray.jl:1290; getindex ╎ 1 …ase/multidimensional.jl:889; _getindex ╎ 1 …ase/multidimensional.jl:901; _unsafe_getindex(::IndexLinear, ::Array{Fl… ╎ 1 @Base/abstractarray.jl:830; similar ╎ 1 @Base/array.jl:420; similar ╎ ╎ 1 @Base/boot.jl:489; Array Task 0x000074df0ef9b9e0 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:196; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 @Base/abstractarray.jl:1290; getindex ╎ 1 …ase/multidimensional.jl:889; _getindex ╎ 1 …ase/multidimensional.jl:900; _unsafe_getindex(::IndexLinear, ::Array{Fl… ╎ 1 …se/multidimensional.jl:772; index_shape ╎ 1 @Base/range.jl:706; axes ╎ ╎ 1 @Base/range.jl:761; length ╎ ╎ 1 @Base/int.jl:87; + Task 0x000074df0ef89c30 Total snapshots: 1. Utilization: 100% ╎1 @Base/multidimensional.jl:898; _unsafe_getindex(::IndexLinear, ::Array{Floa… Task 0x000074df0ef73080 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:196; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 @Base/abstractarray.jl:1290; getindex ╎ 1 …ase/multidimensional.jl:889; _getindex ╎ 1 …ase/multidimensional.jl:901; _unsafe_getindex(::IndexLinear, ::Array{Fl… ╎ 1 @Base/abstractarray.jl:830; similar ╎ 1 @Base/array.jl:420; similar ╎ ╎ 1 @Base/boot.jl:489; Array Task 0x000074df0ef56d60 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:187; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 @Base/broadcast.jl:911; materialize! ╎ 1 @Base/broadcast.jl:914; materialize! ╎ 1 @Base/broadcast.jl:956; copyto! ╎ 1 @Base/broadcast.jl:997; copyto! ╎ 1 @Base/abstractarray.jl:1067; copyto! ╎ ╎ 1 @Base/abstractarray.jl:1108; copyto_unaliased!(deststyle::IndexCartes… ╎ ╎ 1 @Base/abstractarray.jl:1395; setindex! ╎ ╎ 1 …ase/abstractarray.jl:1425; _setindex! ╎ ╎ 1 @Base/subarray.jl:331; setindex! ╎ ╎ 1 @Base/subarray.jl:268; reindex ╎ ╎ ╎ 1 @Base/range.jl:930; getindex ╎ ╎ ╎ 1 @Base/range.jl:913; _in_unit_range Task 0x000074df0ef4a720 Total snapshots: 1. 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Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df0ef05460 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df0eef9f50 Total snapshots: 1. Utilization: 100% Task 0x000074df0eef1f50 Total snapshots: 1. 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Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df0eec1140 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df0eeab6c0 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df0eea5460 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df0eea1f50 Total snapshots: 1. 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Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df0edfa400 Total snapshots: 1. Utilization: 100% ╎1 @Base/multidimensional.jl:898; _unsafe_getindex(::IndexLinear, ::Array{Floa… Task 0x000074df0edc9780 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df0edb0b00 Total snapshots: 1. 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Utilization: 100% ╎1 …TwoElectronFourCenter.jl:190; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 @Base/abstractarray.jl:1290; getindex ╎ 1 …ase/multidimensional.jl:889; _getindex ╎ 1 …ase/multidimensional.jl:901; _unsafe_getindex(::IndexLinear, ::Array{Fl… ╎ 1 @Base/abstractarray.jl:830; similar ╎ 1 @Base/array.jl:420; similar ╎ ╎ 1 @Base/boot.jl:489; Array Task 0x000074df0ed1e270 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df0ed11aa0 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df0ed06a40 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df0ebebb70 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df0eb96a40 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df0eb8ddc0 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df0eb83850 Total snapshots: 1. Utilization: 100% Task 0x000074df0eb79460 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:182; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 @Base/broadcast.jl:911; materialize! ╎ 1 @Base/broadcast.jl:914; materialize! ╎ 1 @Base/broadcast.jl:956; copyto! ╎ 1 @Base/broadcast.jl:997; copyto! ╎ 1 @Base/abstractarray.jl:1067; copyto! ╎ ╎ 1 @Base/abstractarray.jl:1108; copyto_unaliased!(deststyle::IndexCartes… ╎ ╎ 1 @Base/abstractarray.jl:1395; setindex! ╎ ╎ 1 …ase/abstractarray.jl:1425; _setindex! ╎ ╎ 1 @Base/subarray.jl:331; setindex! ╎ ╎ 1 @Base/array.jl:1024; setindex! Task 0x000074df0eb6d140 Total snapshots: 1. 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Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df116e1f50 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df300d7530 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:187; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 @Base/broadcast.jl:911; materialize! ╎ 1 @Base/broadcast.jl:914; materialize! ╎ 1 @Base/broadcast.jl:956; copyto! ╎ 1 @Base/broadcast.jl:997; copyto! ╎ 1 @Base/abstractarray.jl:1067; copyto! ╎ ╎ 1 @Base/abstractarray.jl:1108; copyto_unaliased!(deststyle::IndexCartes… ╎ ╎ 1 @Base/abstractarray.jl:1395; setindex! ╎ ╎ 1 …ase/abstractarray.jl:1425; _setindex! ╎ ╎ 1 @Base/subarray.jl:331; setindex! ╎ ╎ 1 @Base/array.jl:1024; setindex! Task 0x000074df300d47e0 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df10dcc1a0 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df11b9e0e0 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df11b9c330 Total snapshots: 1. Utilization: 100% Task 0x000074df12030650 Total snapshots: 1. Utilization: 100% Task 0x000074df30672d60 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:178; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 @Base/broadcast.jl:911; materialize! ╎ 1 @Base/broadcast.jl:914; materialize! ╎ 1 @Base/broadcast.jl:956; copyto! ╎ 1 @Base/broadcast.jl:997; copyto! ╎ 1 @Base/abstractarray.jl:1067; copyto! ╎ ╎ 1 @Base/abstractarray.jl:1108; copyto_unaliased!(deststyle::IndexCartes… ╎ ╎ 1 @Base/abstractarray.jl:1395; setindex! ╎ ╎ 1 …ase/abstractarray.jl:1425; _setindex! ╎ ╎ 1 @Base/subarray.jl:331; setindex! ╎ ╎ 1 @Base/subarray.jl:268; reindex ╎ ╎ ╎ 1 @Base/subarray.jl:268; reindex ╎ ╎ ╎ 1 @Base/subarray.jl:268; reindex ╎ ╎ ╎ 1 @Base/range.jl:929; getindex ╎ ╎ ╎ 1 @Base/int.jl:87; + Task 0x000074df30002a40 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:211; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 @Base/broadcast.jl:911; materialize! ╎ 1 @Base/broadcast.jl:914; materialize! ╎ 1 @Base/broadcast.jl:956; copyto! ╎ 1 @Base/broadcast.jl:997; copyto! ╎ 1 @Base/abstractarray.jl:1067; copyto! ╎ ╎ 1 @Base/abstractarray.jl:1108; copyto_unaliased!(deststyle::IndexCartes… ╎ ╎ 1 @Base/abstractarray.jl:1395; setindex! ╎ ╎ 1 …ase/abstractarray.jl:1425; _setindex! ╎ ╎ 1 @Base/subarray.jl:331; setindex! ╎ ╎ 1 @Base/subarray.jl:268; reindex ╎ ╎ ╎ 1 @Base/subarray.jl:268; reindex ╎ ╎ ╎ 1 @Base/range.jl:0; reindex Task 0x000074df33156ef0 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 @Base/array.jl:163; vect ╎ 1 @Base/boot.jl:477; Array Task 0x000074df33b6aef0 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df323fd910 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df32261140 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:184; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 @Base/abstractarray.jl:1290; getindex ╎ 1 …ase/multidimensional.jl:889; _getindex ╎ 1 …ase/multidimensional.jl:901; _unsafe_getindex(::IndexLinear, ::Array{Fl… ╎ 1 @Base/abstractarray.jl:830; similar ╎ 1 @Base/array.jl:420; similar ╎ ╎ 1 @Base/boot.jl:489; Array Task 0x000074df31109460 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df331c33a0 Total snapshots: 1. Utilization: 100% Task 0x000074df3336ce20 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 @Base/array.jl:166; vect ╎ 1 @Base/range.jl:901; iterate Task 0x000074df0f7852d0 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:196; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …ase/multidimensional.jl:1608; permutedims ╎ 1 @Base/array.jl:421; similar ╎ 1 @Base/boot.jl:489; Array Task 0x000074df0f04b6c0 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df0f38ed60 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df0f38c7e0 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df0f3d7210 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df3210a0e0 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df30e612d0 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df30e60330 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… Task 0x000074df0d099f50 Total snapshots: 1. Utilization: 100% ╎1 @Base/task.jl:682; task_done_hook(t::Task) ╎ 1 @Base/task.jl:1008; wait() ╎ 1 @Base/task.jl:997; poptask(W::Base.IntrusiveLinkedListSynchronized{Task}) ╎ 1 @Base/task.jl:980; trypoptask(W::Base.IntrusiveLinkedListSynchronized{Ta… Task 0x000074df0d098970 Total snapshots: 1. Utilization: 100% ╎1 …TwoElectronFourCenter.jl:174; (::GaussianBasis.var"#65#67"{Array{Float64, … ╎ 1 …woElectronFourCenter.jl:119; ERI_2e4c! ╎ 1 …ianBasis/src/Libcint.jl:81; cint2e_sph!(buf::Vector{Float64}, shls::Vect… ╎ 1 …ianBasis/src/Libcint.jl:69; cint2e_sph!(buf::Vector{Float64}, shls::Vec… ┌ 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/v1.10/Profile/src/Profile.jl:1225 Overhead ╎ [+additional indent] Count File:Line; Function ========================================================= Thread 1 Task 0x000072a922a00010 Total snapshots: 1. Utilization: 0% ╎1 @Base/client.jl:557; _start() ╎ 1 @Base/client.jl:323; exec_options(opts::Base.JLOptions) ╎ 1 @Base/Base.jl:495; include(mod::Module, _path::String) ╎ 1 @Base/loading.jl:2206; _include(mapexpr::Function, mod::Module, _path::S… ╎ 1 @Base/loading.jl:2146; include_string(mapexpr::typeof(identity), mod::M… ╎ 1 @Base/boot.jl:385; eval ╎ ╎ 1 @Pkg/src/API.jl:146; kwcall(::@NamedTuple{julia_args::Cmd}, ::typeof(… ╎ ╎ 1 @Pkg/src/API.jl:146; #test#74 ╎ ╎ 1 @Pkg/src/API.jl:147; test ╎ ╎ 1 @Pkg/src/API.jl:147; #test#75 ╎ ╎ 1 @Pkg/src/API.jl:148; kwcall(::@NamedTuple{julia_args::Cmd}, ::typ… ╎ ╎ ╎ 1 @Pkg/src/API.jl:159; test(pkgs::Vector{Pkg.Types.PackageSpec}; i… ╎ ╎ ╎ 1 @Pkg/src/API.jl:423; kwcall(::@NamedTuple{julia_args::Cmd, io::… ╎ ╎ ╎ 1 @Pkg/src/API.jl:444; test(ctx::Pkg.Types.Context, pkgs::Vector… ╎ ╎ ╎ 1 …/src/Operations.jl:1915; test ╎ ╎ ╎ 1 …src/Operations.jl:1971; test(ctx::Pkg.Types.Context, pkgs::… ╎ ╎ ╎ ╎ 1 …src/Operations.jl:1759; kwcall(::@NamedTuple{preferences::… ╎ ╎ ╎ ╎ 1 …src/Operations.jl:1768; sandbox(fn::Function, ctx::Pkg.Ty… ╎ ╎ ╎ ╎ 1 @Base/file.jl:762; mktempdir ╎ ╎ ╎ ╎ 1 @Base/file.jl:762; mktempdir(fn::Function, parent::Strin… ╎ ╎ ╎ ╎ 1 @Base/file.jl:766; mktempdir(fn::Pkg.Operations.var"#11… ╎ ╎ ╎ ╎ ╎ 1 …c/Operations.jl:1810; (::Pkg.Operations.var"#115#120"… ╎ ╎ ╎ ╎ ╎ 1 …c/Operations.jl:1721; with_temp_env(fn::Pkg.Operatio… ╎ ╎ ╎ ╎ ╎ 1 …/Operations.jl:1840; (::Pkg.Operations.var"#117#122… ╎ ╎ ╎ ╎ ╎ 1 @Base/env.jl:257; withenv(::Pkg.Operations.var"#130… ╎ ╎ ╎ ╎ ╎ 1 …Operations.jl:1992; (::Pkg.Operations.var"#130#13… ╎ ╎ ╎ ╎ ╎ ╎ 1 …Operations.jl:2048; subprocess_handler(cmd::Cmd,… ╎ ╎ ╎ ╎ ╎ ╎ 1 …se/process.jl:661; wait(x::Base.Process) ╎ ╎ ╎ ╎ ╎ ╎ 1 …/condition.jl:125; wait ╎ ╎ ╎ ╎ ╎ ╎ 1 …condition.jl:130; wait(c::Base.GenericConditi… ╎ ╎ ╎ ╎ ╎ ╎ 1 …ase/task.jl:1008; wait() ╎ ╎ ╎ ╎ ╎ ╎ ╎ 1 …ase/task.jl:999; poptask(W::Base.IntrusiveL… [1] signal (15): Terminated in expression starting at /PkgEval.jl/scripts/evaluate.jl:210 epoll_wait at /lib/x86_64-linux-gnu/libc.so.6 (unknown line) uv__io_poll at /workspace/srcdir/libuv/src/unix/epoll.c:236 uv_run at /workspace/srcdir/libuv/src/unix/core.c:400 ijl_task_get_next at /source/src/partr.c:478 [22] signal (15): Terminated in expression starting at /home/pkgeval/.julia/packages/GaussianBasis/UPunp/test/test_gradients.jl:68 poptask at ./task.jl:999 wait at ./task.jl:1008 #wait#645 at ./condition.jl:130 wait at ./condition.jl:125 [inlined] _trywait at ./asyncevent.jl:142 wait at ./asyncevent.jl:159 [inlined] profile_printing_listener at ./Base.jl:572 #1056 at ./Base.jl:608 jfptr_YY.1056_85107.1 at /opt/julia/lib/julia/sys.so (unknown line) _jl_invoke at /source/src/gf.c:2876 [inlined] ijl_apply_generic at /source/src/gf.c:3077 jl_apply at /source/src/julia.h:1982 [inlined] start_task at /source/src/task.c:1256 unknown function (ip: (nil)) Allocations: 14173555 (Pool: 14142599; Big: 30956); GC: 19 PkgEval terminated after 2723.11s: test duration exceeded the time limit