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Re^2: Erroneous hessian with PCM.

Pavel Strashnov

Dear Alex,
Thank you for your reply.
All calculations were performed on skif-mgu cluster (
Assuming possible malfunction of hardware I have repeated calculation using the same input file with the same number of cores but in another queue. The problem was reproduced completely. If I can do some test calculations, please tell me.
Exact input file is attached.
Best regards,

On Sun Oct 31 '10 2:52pm, Alex Granovsky wrote
>Hi Pavel,

>if you look into bad output file, you'll find that almost all
>$vib groups contain zeros instead of some meaningful data.
>In overall, this output looks really strange.

>This is definitely a bug, however, this could be either
>some hidden bug in Firefly, or, alternatively, the bug
>caused by the hardware malfunction on one of the nodes.

>Could you please provide the exact input file for our analysis
>and verification? In addition, what was the cluster
>used for calculations?

>Alex Granovsky

This message contains the 3 kb attachment
[ hess.inp ]

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