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Simulation crashes when binding is set to rapid equilibrium #100

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schmoelder opened this issue Aug 16, 2021 · 2 comments · Fixed by #107
Closed

Simulation crashes when binding is set to rapid equilibrium #100

schmoelder opened this issue Aug 16, 2021 · 2 comments · Fixed by #107

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@schmoelder
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schmoelder commented Aug 16, 2021

I have a case where a simulation runs fine when the binding (Bi-Langmuir) is set to rapid equilibrium.
In release build, it never passes initialization; in debug mode, I get the following error

cadet-cli: /home/jo/software/cadet/CADET/src/libcadet/linalg/BandMatrix.cpp:99: void cadet::linalg::{anonymous}::scaleRows(double*, int, int, const double*, int): Assertion `scalingFactors[i] != 0.0' failed.
Abgebrochen (Speicherabzug geschrieben)

Interestingly, this is the same error, we get in #96. However, the error also occurs when dynamic flow rates are disabled.

Attached are corresponding files which demonstrate the issue.

is_kinetic_issue.zip

jazib-hassan-juelich referenced this issue Nov 8, 2021
Handles CTRL+C, or SIGINT, in cadet-cli. Time integration is stopped
and the solution (up to this point) written to file.
@jazib-hassan-juelich
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Update:
Today (08.11.21) team CADET tried to understand the reason behind the crashing of simulation for the following case:
Unit Operation model: Lumped Rate Model without Pores
Binding Model: Bi-Langmuir native approach
Kinetic Condition: False (Rapid Equillibrium)

It was found that the error is raised in the BandMatrix.cpp Line 99 , due to the presence of 0.0 values in the variable scalingFactors, thus scaling of data, BandMatrix class variable, can't be possible.
After that we looked into the decleration of scalingFactors variable which was happening in BandMatrix method rowScaleFactors(), and it was defined as the maximum of the 0.0 and abs(data).
Therefore apparently, the error is arising due to some wrong values stored in _data. We tried to figure out from where _data was getting its entries but was not able to do that yet.

@jayghoshter
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3 participants