we have released few fixes as the 2013.4 patch (changes are listed below).
You can apply the patch in-place using the update.py script.
After that you need to compile the changes:
Code: Select all
$ cd build $ make
tarball from http://daltonprogram.org/dalton2013_download/
- Memory bugfix for serial PCM calculations (segmentation fault for large PCM cavities).
- Fixed a bug in the Basis set reading. This bugfix affects almost no basis sets, and none of the standard basis sets,
but a very few general contracted basis sets where the first contracted function had much smaller
number of primitives compared to the last: Basis sets such as the pcS-1 basis set.
- Reduced the memory requirements for internal MPI buffer handling.