Avogadro 2 (1.100.0) crashing when opening Orca output

General Discussion Support
1

I try to use Avogadro on a MacBook Pro M1 Max, but I’m experiencing a bug which has been around for some time. If I try to open the output of an Orca calculation, Avogadro crashes immediately. This happens regardless of whether I use the ARM or Intel version of Avogadro.

I posted about this some time ago (Avogadro crashes when trying to open Orca output files), but I guess it has not yet been fixed…?

Also, in my previous report, it was suggested that the reason Avogadro was crashing was because I was using a customised basis set. In the output file I was testing today, this was not the case. I’ll attach the output file below.

Environment Information

Avogadro version: 1.100.0
Operating system and version: macOS Sequoia 15.2

Expected Behavior

Orca output file opens successfully

Actual Behavior

Avogadro crashes.

Steps to Reproduce

Attempt to open Orca output file

h2o-opt-freq-b3lyp-svpd.out (333.3 KB)

2

I’ll take a look later today.

3

Huh. This one’s weird - it’s crashing when calculating the density matrix. I found a variety of weird bugs on the way to 1.100 - probably the MO coefficients aren’t read correctly here.

Thanks.