Due to the lack of good spam prevention tools for trac 0.11, user accounts must be verified before they can open a ticket. To verify your account, send an email to loniedavid(at)gmail(dot)com to let me know that you're an actual person!

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

  1. Run Avogadro through gdb in a terminal:
    gdb avogadro
    
  2. Type run at the prompt and hit enter
  3. Reproduce the bug
  4. 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.

  1. Copy the backtrace output and include it in the bug report when you file here.