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Loops resume where they stopped - #39

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seamm merged 5 commits into
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Oct 4, 2026
Merged

seamm merged 5 commits into
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@paulsaxe

@paulsaxe paulsaxe commented Oct 4, 2026

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  • A job resumed from its checkpoint (seamm_exec 2026.10.4.1, --resume)
    continues a loop at the iteration and step it had reached, with the same
    iteration directory and the same rows, structures or values to loop over as
    when the loop started; a finished iteration is not run again. An iteration that
    failed and was skipped ("continue to next iteration" or "exit the loop")
    keeps what it wrote, as before, and is not retried.
  • Requires seamm 2026.10.4.

Phase 5 (flowchart checkpointing), release 2026.10.4. Fifth of eight: molsystem, seamm, seamm_scheduler, seamm_exec (released) → loop_step → read_structure_step + forcefield_step → seamm_jobserver.

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paulsaxe and others added 4 commits October 4, 2026 07:32
At the start of each iteration the Loop records its state in the
checkpoint (counters, the rows or configurations it was given at entry,
the iteration's directory), and passes the next step to step_completed.
Resumed, it restores that state, sets the iteration up again without
advancing (same directory, iteration.out appended), and starts the body at
the step that had not finished; a finished iteration moves on to the
next. An iteration that fails and is continued past keeps its writes and
is not retried. Tests crash and resume For, Foreach, float, table (whose
body appends rows), systems (named directories), nested loops at every
position, twice, and with errors continue/exit, comparing the database
and directories with an uninterrupted run.

Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
…cess does

Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
A kill between making the directory and writing the checkpoint left a
directory the checkpoint did not know, so the resumed iteration got a
name_2 directory. A resumed iteration keeps its iteration.out. HISTORY:
'exit the loop' also keeps a failed iteration's writes.

Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
@paulsaxe paulsaxe added the enhancement New feature or request label Oct 4, 2026
@paulsaxe
paulsaxe requested a review from seamm October 4, 2026 18:34

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LGTM

…luator)

Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
@seamm
seamm merged commit dff231e into main Oct 4, 2026
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2 participants