Avogadro (1.101) crashes in my windows 11 when trying to open an output file from ORCA with orbitals

General Discussion Support
1

I believe this to be a bug with Avogadro:
I have Avogadro 1.101 recently installed, the nightly build version just in case, and ORCA 6.0 (the lastest version) and avogadro works perfectly and opens .out files from ORCA as long as I don’t ask for molecular orbitals, when molecular orbitals are involved, it won’t open, it tries but suddenly crushes, even with just the most small molecule as H2O because it’s what I’m trying right know. My computer has windows 11, 64bits and is an HP with 16 Gb ram ( I don’t know if that matters or not).

And also when I try to generate and OUTPUT for ORCA, the screen that appears is larger than my screen and I have to hide my taskbar below to be able to see the text.

Environment Information

Avogadro version: 1.101
Operating system and version: Windows 11

Expected Behavior

I want it to open my output from orca when I have asked for molecular orbitales to be printed, because I want to be able to actually see something..

Actual Behavior

It just tries to open it and suddenly crushes without explanation.

Steps to Reproduce

2

That would definitely be a bug. I see you posted a link to Google Drive, but it’s asking for permission.

Can you just upload your ORCA output file to the forum?

3

water.inp (363 Bytes)

water.out (300.9 KB)

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4

Thanks, I’ll take a look this evening.

5

Thank you so much! :slight_smile:

6

I’m having trouble reproducing this, but I also recently fixed some bugs with surfaces. Could you try a nightly build? Install — Avogadro 1.101.0 documentation

7

Yes, I have the lastest nightly build because I downloaded yesterday but I’ll download the new one just in case and I let you know if It’s fixed, thanks!

8

Unlikely - I’ll have to see if I can figure out what’s crashing for you.

9

Thank you for your time, I’ll be waiting. :slight_smile:

10

I think I can bring some light in the matter, I tried to download the previous version of Avogadro2 1.100, and it worked perfectly fine! I hope I can help with that information hahaha

11

That certainly helps, yes. Have you tried with other file formats? For example if you create a .molden file with orca_2mkl file -molden or download the molden file from the other thread does it also crash?

(I’m trying to figure out if it’s related to the orbital display or reading ORCA in particular)

12

I tried with molden also because I read it in other post I think, but I did not work either, It also crashed.

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13

Okay, thanks - that helps - it’s not so much ORCA but more the orbital window.

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14

Okay, I think this is now fixed in the development version. Not sure when the “nightly builds” are set, but certainly 1.102 for next week should include this fix.

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