The attached file crashes Avogadro for me on startup when the orbital extension is activated. Note that it contains no MO information, just vibrations.
The backtrace is:
Program received signal SIGSEGV, Segmentation fault.
0x00007fffcf1bcc2b in ?? () from /usr/lib/avogadro/1_1/extensions/orbitalextension.so
(gdb) bt
0 0x00007fffcf1bcc2b in ?? () from /usr/lib/avogadro/1_1/extensions/orbitalextension.so
1 0x00007fffcf1b6ead in ?? () from /usr/lib/avogadro/1_1/extensions/orbitalextension.so
2 0x00007fffcf1b965b in ?? () from /usr/lib/avogadro/1_1/extensions/orbitalextension.so
3 0x00007fffcf1b9d90 in ?? () from /usr/lib/avogadro/1_1/extensions/orbitalextension.so
5 0x00007fffcf1c4805 in ?? () from /usr/lib/avogadro/1_1/extensions/orbitalextension.so
7 0x0000000000436b7d in ?? ()
8 0x0000000000446021 in ?? ()
9 0x00000000004462e7 in ?? ()
10 0x0000000000450308 in ?? ()
13 0x00007ffff67c2e29 in QObject::event(QEvent*) () from /usr/lib/libQtCore.so.4
14 0x00007ffff6cc332c in QApplicationPrivate::notify_helper(QObject, QEvent) () from /usr/lib/libQtGui.so.4
15 0x00007ffff6cc980b in QApplication::notify(QObject, QEvent) () from /usr/lib/libQtGui.so.4
16 0x00007ffff67b309c in QCoreApplication::notifyInternal(QObject, QEvent) () from /usr/lib/libQtCore.so.4
17 0x00007ffff67b6744 in QCoreApplicationPrivate::sendPostedEvents(QObject, int, QThreadData) () from /usr/lib/libQtCore.so.4
18 0x00007ffff67dcb73 in ?? () from /usr/lib/libQtCore.so.4
19 0x00007ffff42016f2 in g_main_context_dispatch () from /lib/libglib-2.0.so.0
20 0x00007ffff4205568 in ?? () from /lib/libglib-2.0.so.0
21 0x00007ffff420571c in g_main_context_iteration () from /lib/libglib-2.0.so.0
22 0x00007ffff67dc6b3 in QEventDispatcherGlib::processEvents(QFlags<QEventLoop::ProcessEventsFlag>) () from /usr/lib/libQtCore.so.4
23 0x00007ffff6d7319e in ?? () from /usr/lib/libQtGui.so.4
24 0x00007ffff67b6b8f in QCoreApplication::processEvents(QFlags<QEventLoop::ProcessEventsFlag>) () from /usr/lib/libQtCore.so.4
25 0x000000000046196d in ?? ()
26 0x00007ffff7a9bc8d in __libc_start_main () from /lib/libc.so.6
27 0x0000000000420129 in _start ()
methane.molden
Just to be clear, openbabel seems to read this one in fine.
This file seems to expose a bug in Open Babel's molden support as well. When I successfully open the file, I see only 2 hydrogen atoms!
I submitted a patch to Gerrit which seems to fix the Avogadro side for me.
http://review.source.kitware.com/#/t/814