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Crash: ATTEMPT TO READ A DAF RECORD THAT WAS NEVER WRITTEN

Bernhard Dick
bernhard.dick@chemie.uni-regensburg.de

I encounter a stop of firefly with the error message:

*** ERROR *** ATTEMPT TO READ A DAF RECORD THAT WAS NEVER WRITTEN.
RECORD NUMBER  157 OF LENGTH       132 DOES NOT EXIST.

ADDRESS 0x005AFBBB HAS INITIATED PROGRAM ABORT BECAUSE OF FATAL ERROR(S)

The error occurs near the calculation of state specific gradients from a state-averaged CAS calculation, in the context of finding a conical intersection. I attach the input and output files. The error is reproducible and occurs under Windows and also on a Linux cluster. However, it does not occur with exactly the same type of calculation for a somewhat different molecule of similar size.

with best regards,
Bernhard

This message contains the 1296 kb attachment
[ Crash-reading-DAF.zip ] input and output files

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