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Pass recoverable error to IDAS when residual contains nonfinite value#490

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jbreue16 merged 1 commit intomasterfrom
feature/NANerror
Mar 7, 2026
Merged

Pass recoverable error to IDAS when residual contains nonfinite value#490
jbreue16 merged 1 commit intomasterfrom
feature/NANerror

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@jbreue16 jbreue16 commented Sep 26, 2025

In e.g. #379 we observed simulations that keep running. This can happen when the residual function computes NaN values but does not pass an (recoverable) error to IDAS, which is added in this PR.

todo

  • add error code
  • check performance impact

fixes #379

Update

performance benchmark was ambiguous, I suspect there is no relevant change of performance as expected.
A local run of our standard chromatography benchmarks ten times comparing the minimum required compute times showed no clear result:
convergence_comparison_log.txt
https://github.com/cadet/CADET-Verification-Output/tree/2026-01-22_16-12-00_benchmark/checkNAN_2e6179b

image

Co-authored-by: Samuel Leweke <samuel.leweke@bayer.com>
@jbreue16 jbreue16 merged commit 031d691 into master Mar 7, 2026
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@github-project-automation github-project-automation Bot moved this from Todo to Done in CADET Repositories Mar 7, 2026
@jbreue16 jbreue16 changed the title Pass recoverable error to IDAS when residual contains NaN Pass recoverable error to IDAS when residual contains nonfinite value Mar 7, 2026
@github-actions github-actions Bot locked and limited conversation to collaborators Mar 7, 2026
@jbreue16 jbreue16 deleted the feature/NANerror branch March 7, 2026 10:28
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Abort simulation and raise error if NaN is encountered

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