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Commit 9938cbf
eccejobstore: restartFlag was uninitialised, failing completed jobs
Reported as "MOPAC geovib + thermo leads to a monitor error". The job
ran fine; storing its results died with
Fatal eccejobstore: Cannot re-parse frequency 'last' type properties
eccejobstore terminating abnormally, exit status 3
That message comes from initMon(), which only looks at the bookmark file
when restartFlag is set. On a restart it finds the "EOF" bookmark the
previous monitor wrote on normal completion and refuses, because a
Frequency=last property cannot be recovered by re-reading from EOF.
Correct behaviour -- for an actual restart.
bool restartFlag; // never initialised
...
else if (strcmp(argv[it], "-restart") == 0)
restartFlag = true;
Without -restart the flag kept whatever was on the stack, so an ordinary
launch could be treated as a monitoring restart. Undefined behaviour
that reads as an intermittent, code-agnostic "the job ran and produced
nothing", since the job really has finished by then and only the storing
of its properties fails.
Initialised to false.
Found while investigating the MOPAC work, but nothing about it is
MOPAC-specific: any code's job could hit it, and whether it did depended
on the stack.
Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
Claude-Session: https://claude.ai/code/session_01EFMUNbw2UpRPmgsqviAowb1 parent 06cc507 commit 9938cbf
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