Open-Systems-Pharmacology / PK-Sim

PK-Sim® is a comprehensive software tool for whole-body physiologically based pharmacokinetic modeling
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Error loading a snapshot #2819

Closed PavelBal closed 10 months ago

PavelBal commented 11 months ago

Trying to load this snapshot (https://github.com/Open-Systems-Pharmacology/Fluvoxamine-Omeprazole-DDI) in the latest PK-Sim version, I get the following error:

Information: Loading Project from snapshot file 'D:\Documents\esqlabs GmbH\Research and Development - Documents\Grant Projects\OSMOSES\UseCases\V11.2\Fluvoxamine-Omeprazole-DDI.json'
Information: Loading simulation 'omeprazole 40mg po asian EM' (1/4)...
Information: Loading simulation 'omeprazole 40mg po asian PM' (2/4)...
Information: Loading simulation 'omeprazole 40mg po asian EM fluvoxamine 50mg po' (3/4)...
Warning: Simulation run failed: some variables became negative when trying to reach t=908. There are different possible reasons for this:

  - Solver tolerances are too high. Please reduce the absolute and relative tolerances by one order of magnitude (e.g. from 1E-9 to 1E-10) and restart the simulation.
  - Some variables which are allowed to be negative were defined as non-negative.
  - Model is not properly established (e.g. the kinetic should be k*[A] but was defined as k*[B] etc.)

The following variables became negative :
omeprazole 40mg po asian EM fluvoxamine 50mg po|Events|Yasui-Furukori - Fluvoxamine 25mg tablet|Fluvoxamine tablet|Application_2|Fluvoxamine
Error: Cannot load Simulation 'omeprazole 40mg po asian EM fluvoxamine 50mg po'
Information: Loading simulation 'omeprazole 40mg po asian PM fluvoxamine 50mg po' (3/4)...
Warning: Simulation run failed: some variables became negative when trying to reach t=2356. There are different possible reasons for this:

  - Solver tolerances are too high. Please reduce the absolute and relative tolerances by one order of magnitude (e.g. from 1E-9 to 1E-10) and restart the simulation.
  - Some variables which are allowed to be negative were defined as non-negative.
  - Model is not properly established (e.g. the kinetic should be k*[A] but was defined as k*[B] etc.)

The following variables became negative :
omeprazole 40mg po asian PM fluvoxamine 50mg po|Events|Yasui-Furukori - Fluvoxamine 25mg tablet|Fluvoxamine tablet|Application_4|Fluvoxamine
Error: Cannot load Simulation 'omeprazole 40mg po asian PM fluvoxamine 50mg po'
Information: Project loaded from snapshot

This did not happen before.

msevestre commented 11 months ago

Can you export the model structure in v11 and v12 and compare?

PavelBal commented 11 months ago

No, the failing simulations are not created

msevestre commented 11 months ago

try without running the simulation?

msevestre commented 11 months ago

ok the option is available .Can you try to compare the simulations please?

PavelBal commented 10 months ago

Not failing any more. Probably due to allowing negative values for applications.