Opened 4 years ago

Last modified 3 years ago

#6339 new defect

Chemical library models fail because of too many event iterations or chattering

Reported by: Francesco Casella Owned by: Francesco Casella
Priority: high Milestone:
Component: Third-Party Libraries Version: 1.16.0
Keywords: Cc: matejak.marek@…

Description

Some models in the Chemical library fail during initialization because of too many events, e.g. HemoglobinTitration, while others fail because of chattering during simulation, e.g. Joels57.

@marek, do you have any clue why this could happen?

Change History (4)

comment:1 by marek@…, 4 years ago

Wrong initialization in combination with rapid reaction rates caused high and oscillating flows at start of simulation. I could try to find some realistic values for initialization and/or kinetics parameters of these processes. Even these kinetics parameters has minimal influence to the results (because all is very close to equilibrium during each time), their shift has a great impact in performance of numerical calculation.

comment:2 by Francesco Casella, 4 years ago

OK. Maybe also trying tighter or looser solver tolerance could help.

comment:3 by Francesco Casella, 4 years ago

Milestone: 1.17.01.18.0

Retargeted to 1.18.0 because of 1.17.0 timed release.

comment:4 by Francesco Casella, 3 years ago

Milestone: 1.18.0

Ticket retargeted after milestone closed

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