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If you find a bug in XtalOpt, please report it here. Include all steps necessary to reproduce the bug, expected behavior, actual behavior, and any other relevant information.
If you are experiencing a crash, there are a few things you can do to help us track down and fix the problems.
Rebuild with debugging symbols
If you followed the instructions on this page, simply do the following:
cd $HOME/src/xtalopt/build/ cmake .. -DOPENBABEL2_INCLUDE_DIR=$HOME/include/openbabel-2.0 -DOPENBABEL2_LIBRARIES=$HOME/lib/libopenbabel.so \ -DOPENBABEL2_VERSION_MET=true -DOPENBABEL_IS_NEWER_THAN_2_2_99=true -DCMAKE_BUILD_TYPE=Debug -DCMAKE_INSTALL_PREFIX=$HOME make -j3 make install
This will recompile XtalOpt with extra information that a debugger can use to find problems.
Install gdb
gdb is a debugger that is available on all linux systems. On Arch Linux, run
pacman -S gdb
On other distros, consult your package manager's documentation to find how to install the package.
Reproduce bug and produce backtrace
- Run Avogadro through gdb in a terminal:
gdb avogadro
- Type run at the prompt and hit enter
- Reproduce the bug
- If the program crashes, the XtalOpt GUI will remain open, but the terminal will show a "(gdb) " prompt. At this prompt type:
thread apply all backtrace
Press enter as many times a neccessary to return to a prompt.
- Copy the backtrace output and include it in the bug report when you file here.
