Avogadro 1 is not under active development, the repository was archived in September 2021. Development of Avogadro 2 is being done at https://github.com/openchemistry/avogadrolibs. Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
I'd like to render molecular orbitals from ORCA with Avogadro (this is a wonderful feature btw, thanks!).
However, Avogadro crashes most of the time when opening an ORCA output file. The error is quite random: I managed to render some MOs from a file, and then Avogadro crashed when I wanted to re-open the same file to render some other MOs.
Now I'm not able to open any of my ORCA output files. They were generated with ORCA 4.0, with the 'LargePrint' keyword.
"Avogadro version: 1.2.0 Git: c1fcc5b
LibAvogadro version: 1.2.0 Git: c1fcc5b"
BABEL_LIBDIR /Applications/Avogadro.app/Contents/MacOS/../lib/openbabel
Locale: ""
Libavogadro translations not found.
System has OpenGL support.
About to test OpenGL capabilities.
OpenGL capabilities found:
Double Buffering.
Direct Rendering.
Antialiasing.
Loading plugins: "/Applications/Avogadro.app/Contents/MacOS/../lib/avogadro"
Searching for plugins in "/Applications/Avogadro.app/Contents/lib/avogadro"
Searching for plugins in "/Applications/Avogadro.app/Contents/lib/avogadro/colors"
Searching for plugins in "/Applications/Avogadro.app/Contents/lib/avogadro/engines"
Searching for plugins in "/Applications/Avogadro.app/Contents/lib/avogadro/extensions"
Searching for plugins in "/Applications/Avogadro.app/Contents/lib/avogadro/tools"
Loading plugins: "/Users/mcomin/Library/Application Support/avogadro/Plugins"
Settings are missing for the next engines: ()
QStackedLayout::setCurrentWidget: Widget 0x7fd5f91e54a0 not contained in stack
dev warning: Extension "GAMESS" is using a deprecated DockWidget loading method. See Extension::dockWidgets() documentation.
dev warning: Extension "Orbitals" is using a deprecated DockWidget loading method. See Extension::dockWidgets() documentation.
dev warning: Extension "Vibration" is using a deprecated DockWidget loading method. See Extension::dockWidgets() documentation.
HOMO at: -1
GLWidget initialisation...
GLWidget initialised...
createObjects()
libpng warning: iCCP: known incorrect sRGB profile
libpng warning: iCCP: known incorrect sRGB profile
libpng warning: iCCP: known incorrect sRGB profile
libpng warning: iCCP: known incorrect sRGB profile
libpng warning: cHRM: invalid chromaticities
read 1 molecules.
Old molecule deleted...
File "/Users/mcomin/Sync/PhD/codes/data/PERYTBPA/orbitals/LT/dftmm/orca.out" opened.
Segmentation fault: 11
Another error I had is:
File "/Users/mcomin/Sync/PhD/codes/data/PERYTBPA/orbitals/HT/dft/orca.out" opened.
avogadro(60344,0x10f2d05c0) malloc: *** error for object 0x7f9ba21f000a: pointer being freed was not allocated
avogadro(60344,0x10f2d05c0) malloc: *** set a breakpoint in malloc_error_break to debug
Abort trap: 6
Hello,
I'd like to render molecular orbitals from ORCA with Avogadro (this is a wonderful feature btw, thanks!). However, Avogadro crashes most of the time when opening an ORCA output file. The error is quite random: I managed to render some MOs from a file, and then Avogadro crashed when I wanted to re-open the same file to render some other MOs.
Now I'm not able to open any of my ORCA output files. They were generated with ORCA 4.0, with the 'LargePrint' keyword.
Environment Info: OS: MacOS Mojave 10.14.6 Avogadro version: 1.2.0 ORCA version: 4.0.0.2
Avogadro output:
Another error I had is: