Avogadro suddenly shuts down everytime I open an ORCA output file

Development
1

Hello,
I have been using the ORCA enhanced Avogadro 4.2.1. Every time I open an ORCA output file, my Avogadro crashes in 1 minute. How to fix this?

2

I don’t know what “ORCA enhanced v 4.2.1” is. I suspect you’re using the ORCA-enhanced Avogadro 1.2 version.

Our suggestion is to use the latest nightly build of Avogadro2 Install — Avogadro 1.100.0 documentation - which includes many ORCA features.

We cannot support Avogadro 1.2 anymore. I can assure you that we use ORCA + Avogadro2 regularly in my research group.

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3

Thanks a lot. I have been suffering a lot. The version you suggested is working now.

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4

I have been using this version. One problem I am facing is, when I am opening the output file, it is not showing the final converged file. Instead it is opening the first converged file which I confirmed by matching the frequency values.

How to resolve this? Additionally, does Avogadro provide the converged geometry obtained at each specific iteration of the ORCA calculation? If so, how can I access it?

5

I’m not sure I understand. What kind of calculation are you doing?

You can step through a geometry optimization using the animation tool if you want. But you’re performing multiple frequency calculations?

6

Alternatively, if you can post an output file or a link to an output file, that would help considerably.