ReactionMechanismGenerator / ReactionMechanismSimulator.jl

The amazing Reaction Mechanism Simulator for simulating large chemical kinetic mechanisms
https://reactionmechanismgenerator.github.io/ReactionMechanismSimulator.jl
MIT License
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adjoint sensitivity analysis broken in recent builds #235

Open mjohnson541 opened 9 months ago

mjohnson541 commented 9 months ago

In recent main builds adjoint sensitivity analysis seems to give incorrect values compared to forward sensitivity methods as a result of upstream changes. #233

mjohnson541 commented 4 months ago

I finally managed to reproduce this locally and it gives a bounds error message that seems to get ignored:

Internal error: encountered unexpected error in runtime:
BoundsError(a=Array{Int64, (272,)}[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4], i=(-9223372036854775615,))
ijl_bounds_error_ints at /Applications/Julia-1.8.app/Contents/Resources/julia/lib/julia/libjulia-internal.1.8.dylib (unknown line)
getindex at ./array.jl:924 [inlined]
renumber_ir_elements! at ./compiler/optimize.jl:866
convert_to_ircode at ./compiler/optimize.jl:609
run_passes at ./compiler/optimize.jl:535
optimize at ./compiler/optimize.jl:504 [inlined]
_typeinf at ./compiler/typeinfer.jl:257
typeinf at ./compiler/typeinfer.jl:213
typeinf_edge at ./compiler/typeinfer.jl:877
abstract_call_method at ./compiler/abstractinterpretation.jl:647
abstract_call_gf_by_type at ./compiler/abstractinterpretation.jl:139
abstract_call_known at ./compiler/abstractinterpretation.jl:1716
abstract_call at ./compiler/abstractinterpretation.jl:1786
abstract_apply at ./compiler/abstractinterpretation.jl:1357
abstract_call_known at ./compiler/abstractinterpretation.jl:1620
abstract_call at ./compiler/abstractinterpretation.jl:1786
abstract_call at ./compiler/abstractinterpretation.jl:1753
abstract_eval_statement at ./compiler/abstractinterpretation.jl:1910
typeinf_local at ./compiler/abstractinterpretation.jl:2386
typeinf_nocycle at ./compiler/abstractinterpretation.jl:2482
_typeinf at ./compiler/typeinfer.jl:230
typeinf at ./compiler/typeinfer.jl:213
typeinf_edge at ./compiler/typeinfer.jl:877
abstract_call_method at ./compiler/abstractinterpretation.jl:647
abstract_call_gf_by_type at ./compiler/abstractinterpretation.jl:139
abstract_call_known at ./compiler/abstractinterpretation.jl:1716
abstract_call at ./compiler/abstractinterpretation.jl:1786
abstract_call at ./compiler/abstractinterpretation.jl:1753
abstract_eval_statement at ./compiler/abstractinterpretation.jl:1910
typeinf_local at ./compiler/abstractinterpretation.jl:2386
typeinf_nocycle at ./compiler/abstractinterpretation.jl:2482
_typeinf at ./compiler/typeinfer.jl:230
typeinf at ./compiler/typeinfer.jl:213
typeinf_edge at ./compiler/typeinfer.jl:877
abstract_call_method at ./compiler/abstractinterpretation.jl:647
abstract_call_gf_by_type at ./compiler/abstractinterpretation.jl:139
abstract_call_known at ./compiler/abstractinterpretation.jl:1716
abstract_call at ./compiler/abstractinterpretation.jl:1786
abstract_call at ./compiler/abstractinterpretation.jl:1753
abstract_eval_statement at ./compiler/abstractinterpretation.jl:1910
typeinf_local at ./compiler/abstractinterpretation.jl:2386
typeinf_nocycle at ./compiler/abstractinterpretation.jl:2482
_typeinf at ./compiler/typeinfer.jl:230
typeinf at ./compiler/typeinfer.jl:213
typeinf_edge at ./compiler/typeinfer.jl:877
abstract_call_method at ./compiler/abstractinterpretation.jl:647
abstract_call_gf_by_type at ./compiler/abstractinterpretation.jl:139
abstract_call_known at ./compiler/abstractinterpretation.jl:1716
abstract_call at ./compiler/abstractinterpretation.jl:1786
abstract_apply at ./compiler/abstractinterpretation.jl:1357
abstract_call_known at ./compiler/abstractinterpretation.jl:1620
abstract_call at ./compiler/abstractinterpretation.jl:1786
abstract_call at ./compiler/abstractinterpretation.jl:1753
abstract_eval_statement at ./compiler/abstractinterpretation.jl:1910
typeinf_local at ./compiler/abstractinterpretation.jl:2386
typeinf_nocycle at ./compiler/abstractinterpretation.jl:2482
_typeinf at ./compiler/typeinfer.jl:230
typeinf at ./compiler/typeinfer.jl:213
typeinf_edge at ./compiler/typeinfer.jl:877
abstract_call_method at ./compiler/abstractinterpretation.jl:647
abstract_call_gf_by_type at ./compiler/abstractinterpretation.jl:139
abstract_call_known at ./compiler/abstractinterpretation.jl:1716
abstract_call at ./compiler/abstractinterpretation.jl:1786
abstract_call at ./compiler/abstractinterpretation.jl:1753
abstract_eval_statement at ./compiler/abstractinterpretation.jl:1910
typeinf_local at ./compiler/abstractinterpretation.jl:2386
typeinf_nocycle at ./compiler/abstractinterpretation.jl:2482
_typeinf at ./compiler/typeinfer.jl:230
typeinf at ./compiler/typeinfer.jl:213
typeinf_edge at ./compiler/typeinfer.jl:877
abstract_call_method at ./compiler/abstractinterpretation.jl:647
abstract_call_gf_by_type at ./compiler/abstractinterpretation.jl:139
abstract_call_known at ./compiler/abstractinterpretation.jl:1716
abstract_call at ./compiler/abstractinterpretation.jl:1786
abstract_apply at ./compiler/abstractinterpretation.jl:1357
abstract_call_known at ./compiler/abstractinterpretation.jl:1620
abstract_call at ./compiler/abstractinterpretation.jl:1786
abstract_call at ./compiler/abstractinterpretation.jl:1753
abstract_eval_statement at ./compiler/abstractinterpretation.jl:1910
typeinf_local at ./compiler/abstractinterpretation.jl:2386
typeinf_nocycle at ./compiler/abstractinterpretation.jl:2482
_typeinf at ./compiler/typeinfer.jl:230
typeinf at ./compiler/typeinfer.jl:213
typeinf_edge at ./compiler/typeinfer.jl:877
abstract_call_method at ./compiler/abstractinterpretation.jl:647
abstract_call_gf_by_type at ./compiler/abstractinterpretation.jl:139
abstract_call_known at ./compiler/abstractinterpretation.jl:1716
abstract_call at ./compiler/abstractinterpretation.jl:1786
abstract_apply at ./compiler/abstractinterpretation.jl:1357
abstract_call_known at ./compiler/abstractinterpretation.jl:1620
abstract_call at ./compiler/abstractinterpretation.jl:1786
abstract_call at ./compiler/abstractinterpretation.jl:1753
abstract_eval_statement at ./compiler/abstractinterpretation.jl:1910
typeinf_local at ./compiler/abstractinterpretation.jl:2386
typeinf_nocycle at ./compiler/abstractinterpretation.jl:2482
_typeinf at ./compiler/typeinfer.jl:230
typeinf at ./compiler/typeinfer.jl:213
typeinf_edge at ./compiler/typeinfer.jl:877
abstract_call_method at ./compiler/abstractinterpretation.jl:647
abstract_call_gf_by_type at ./compiler/abstractinterpretation.jl:139
abstract_call_known at ./compiler/abstractinterpretation.jl:1716
abstract_call at ./compiler/abstractinterpretation.jl:1786
abstract_apply at ./compiler/abstractinterpretation.jl:1357
abstract_call_known at ./compiler/abstractinterpretation.jl:1620
abstract_call at ./compiler/abstractinterpretation.jl:1786
abstract_call at ./compiler/abstractinterpretation.jl:1753
abstract_eval_statement at ./compiler/abstractinterpretation.jl:1910
typeinf_local at ./compiler/abstractinterpretation.jl:2386
typeinf_nocycle at ./compiler/abstractinterpretation.jl:2482
_typeinf at ./compiler/typeinfer.jl:230
typeinf at ./compiler/typeinfer.jl:213
typeinf_edge at ./compiler/typeinfer.jl:877
abstract_call_method at ./compiler/abstractinterpretation.jl:647
abstract_call_gf_by_type at ./compiler/abstractinterpretation.jl:139
abstract_call_known at ./compiler/abstractinterpretation.jl:1716
abstract_call at ./compiler/abstractinterpretation.jl:1786
abstract_apply at ./compiler/abstractinterpretation.jl:1357
abstract_call_known at ./compiler/abstractinterpretation.jl:1620
abstract_call at ./compiler/abstractinterpretation.jl:1786
abstract_call at ./compiler/abstractinterpretation.jl:1753
abstract_eval_statement at ./compiler/abstractinterpretation.jl:1910
typeinf_local at ./compiler/abstractinterpretation.jl:2386
typeinf_nocycle at ./compiler/abstractinterpretation.jl:2482
_typeinf at ./compiler/typeinfer.jl:230
typeinf at ./compiler/typeinfer.jl:213
typeinf_edge at ./compiler/typeinfer.jl:877
abstract_call_method at ./compiler/abstractinterpretation.jl:647
abstract_call_gf_by_type at ./compiler/abstractinterpretation.jl:139
abstract_call_known at ./compiler/abstractinterpretation.jl:1716
abstract_call at ./compiler/abstractinterpretation.jl:1786
abstract_call at ./compiler/abstractinterpretation.jl:1753
abstract_eval_statement at ./compiler/abstractinterpretation.jl:1910
typeinf_local at ./compiler/abstractinterpretation.jl:2386
typeinf_nocycle at ./compiler/abstractinterpretation.jl:2482
_typeinf at ./compiler/typeinfer.jl:230
typeinf at ./compiler/typeinfer.jl:213
typeinf_edge at ./compiler/typeinfer.jl:877
abstract_call_method at ./compiler/abstractinterpretation.jl:647
abstract_call_gf_by_type at ./compiler/abstractinterpretation.jl:139
abstract_call_known at ./compiler/abstractinterpretation.jl:1716
abstract_call at ./compiler/abstractinterpretation.jl:1786
abstract_call at ./compiler/abstractinterpretation.jl:1753
abstract_eval_statement at ./compiler/abstractinterpretation.jl:1910
typeinf_local at ./compiler/abstractinterpretation.jl:2386
typeinf_nocycle at ./compiler/abstractinterpretation.jl:2482
_typeinf at ./compiler/typeinfer.jl:230
typeinf at ./compiler/typeinfer.jl:213
typeinf_edge at ./compiler/typeinfer.jl:877
abstract_call_method at ./compiler/abstractinterpretation.jl:647
abstract_call_gf_by_type at ./compiler/abstractinterpretation.jl:139
abstract_call_known at ./compiler/abstractinterpretation.jl:1716
abstract_call at ./compiler/abstractinterpretation.jl:1786
abstract_apply at ./compiler/abstractinterpretation.jl:1357
abstract_call_known at ./compiler/abstractinterpretation.jl:1620
abstract_call at ./compiler/abstractinterpretation.jl:1786
abstract_call at ./compiler/abstractinterpretation.jl:1753
abstract_eval_statement at ./compiler/abstractinterpretation.jl:1910
typeinf_local at ./compiler/abstractinterpretation.jl:2386
typeinf_nocycle at ./compiler/abstractinterpretation.jl:2482
_typeinf at ./compiler/typeinfer.jl:230
typeinf at ./compiler/typeinfer.jl:213
typeinf_edge at ./compiler/typeinfer.jl:877
abstract_call_method at ./compiler/abstractinterpretation.jl:647
abstract_call_gf_by_type at ./compiler/abstractinterpretation.jl:139
abstract_call_known at ./compiler/abstractinterpretation.jl:1716
abstract_call at ./compiler/abstractinterpretation.jl:1786
abstract_call at ./compiler/abstractinterpretation.jl:1753
abstract_eval_statement at ./compiler/abstractinterpretation.jl:1910
typeinf_local at ./compiler/abstractinterpretation.jl:2386
typeinf_nocycle at ./compiler/abstractinterpretation.jl:2482
_typeinf at ./compiler/typeinfer.jl:230
typeinf at ./compiler/typeinfer.jl:213
typeinf_edge at ./compiler/typeinfer.jl:877
abstract_call_method at ./compiler/abstractinterpretation.jl:647
abstract_call_gf_by_type at ./compiler/abstractinterpretation.jl:139
abstract_call_known at ./compiler/abstractinterpretation.jl:1716
abstract_call at ./compiler/abstractinterpretation.jl:1786
abstract_call at ./compiler/abstractinterpretation.jl:1753
abstract_eval_statement at ./compiler/abstractinterpretation.jl:1910
typeinf_local at ./compiler/abstractinterpretation.jl:2386
typeinf_nocycle at ./compiler/abstractinterpretation.jl:2482
_typeinf at ./compiler/typeinfer.jl:230
typeinf at ./compiler/typeinfer.jl:213
typeinf_ext at ./compiler/typeinfer.jl:967
typeinf_ext_toplevel at ./compiler/typeinfer.jl:1000
typeinf_ext_toplevel at ./compiler/typeinfer.jl:996
jfptr_typeinf_ext_toplevel_15369.clone_1 at /Applications/Julia-1.8.app/Contents/Resources/julia/lib/julia/sys.dylib (unknown line)
ijl_apply_generic at /Applications/Julia-1.8.app/Contents/Resources/julia/lib/julia/libjulia-internal.1.8.dylib (unknown line)
jl_type_infer at /Applications/Julia-1.8.app/Contents/Resources/julia/lib/julia/libjulia-internal.1.8.dylib (unknown line)
jl_generate_fptr_impl at /Applications/Julia-1.8.app/Contents/Resources/julia/lib/julia/libjulia-codegen.1.8.dylib (unknown line)
jl_compile_method_internal at /Applications/Julia-1.8.app/Contents/Resources/julia/lib/julia/libjulia-internal.1.8.dylib (unknown line)
ijl_apply_generic at /Applications/Julia-1.8.app/Contents/Resources/julia/lib/julia/libjulia-internal.1.8.dylib (unknown line)
do_call at /Applications/Julia-1.8.app/Contents/Resources/julia/lib/julia/libjulia-internal.1.8.dylib (unknown line)
eval_body at /Applications/Julia-1.8.app/Contents/Resources/julia/lib/julia/libjulia-internal.1.8.dylib (unknown line)
jl_interpret_toplevel_thunk at /Applications/Julia-1.8.app/Contents/Resources/julia/lib/julia/libjulia-internal.1.8.dylib (unknown line)
top-level scope at In[18]:2
jl_toplevel_eval_flex at /Applications/Julia-1.8.app/Contents/Resources/julia/lib/julia/libjulia-internal.1.8.dylib (unknown line)
jl_toplevel_eval_flex at /Applications/Julia-1.8.app/Contents/Resources/julia/lib/julia/libjulia-internal.1.8.dylib (unknown line)
ijl_toplevel_eval_in at /Applications/Julia-1.8.app/Contents/Resources/julia/lib/julia/libjulia-internal.1.8.dylib (unknown line)
eval at ./boot.jl:368 [inlined]
include_string at ./loading.jl:1428
softscope_include_string at /Users/mattjohnson/anaconda3/envs/rmg_env/share/julia/packages/SoftGlobalScope/u4UzH/src/SoftGlobalScope.jl:65
ijl_apply_generic at /Applications/Julia-1.8.app/Contents/Resources/julia/lib/julia/libjulia-internal.1.8.dylib (unknown line)
execute_request at /Users/mattjohnson/anaconda3/envs/rmg_env/share/julia/packages/IJulia/Vo51o/src/execute_request.jl:67
unknown function (ip: 0x1d2ca8596)
ijl_apply_generic at /Applications/Julia-1.8.app/Contents/Resources/julia/lib/julia/libjulia-internal.1.8.dylib (unknown line)
jl_f__call_latest at /Applications/Julia-1.8.app/Contents/Resources/julia/lib/julia/libjulia-internal.1.8.dylib (unknown line)
#invokelatest#2 at ./essentials.jl:729 [inlined]
invokelatest at ./essentials.jl:726 [inlined]
eventloop at /Users/mattjohnson/anaconda3/envs/rmg_env/share/julia/packages/IJulia/Vo51o/src/eventloop.jl:8
#15 at ./task.jl:484
unknown function (ip: 0x118fcf71f)
ijl_apply_generic at /Applications/Julia-1.8.app/Contents/Resources/julia/lib/julia/libjulia-internal.1.8.dylib (unknown line)
start_task at /Applications/Julia-1.8.app/Contents/Resources/julia/lib/julia/libjulia-internal.1.8.dylib (unknown line)

[CVODES WARNING]  CVode
  Internal t = 150.111 and h = -3.36301e-16 are such that t + h = t on the next step. The solver will continue anyway.

1×29 adjoint(::Vector{Float64}) with eltype Float64:
 0.0  0.0  0.0  0.0  -1.07658e-24  -3.41635e-25  …  8.87347e-37  -1.54751e-33

Looks mostly like an internal julia error although it could still be something in SciMLSensitivities. Could possibly by fixed by changing julia version away from v1.8.5.