We are releasing today a new version of BerkeleyGW. BerkeleyGW 2.1 is the first version based on a new and more modern coding infrastructure, with better support for new compilers and improved consistency checks. For the end users, the main noticeable features include increased performance and bug fixes for I/O operations involving the new HDF5 file format and for the subspace code. We also improved considerably the documentation of the code, with a new and expanded user manual.
Some highlights and features for the end user:
- New user manual for the code, which comes bundled with the code, and which is
also available online: http://manual.berkeleygw.org
- New wrapper for the StochasticGW code.
- Bug fixes when writing HDF5 wavefunctions in parallel which could cause the code to hang (relevant to the ParaBands code)
- Improved error checking for operations involving HDF5 files.
- Improved support for compilers, including PGI and NAG.
- Improved performance and stability for building BerkeleyGW in parallel with new dependency system.
- Improved performance of HDF5 routines for the subspace code and for reading chimat.h5 files.