Welcome to EXESS’s documentation!
Hello! We’re glad you’re here. For those looking for a brief introduction, please see the Examples guide. This section contains simple examples on how to set up most of our supported calculations and best options. Please see the How to run EXESS page for details on running the code on your system. For more detailed descriptions of the input format, please see User Manual.
In Hardware considerations there are some notes on using the code on NVIDIA and AMD hardware, special care needs to be taken on AMD because of the relative youth of the AMD runtime software. Intel GPUs are currently unsupported.
About EXESS
EXESS is a high-performance GPU accelerated electronic structure program. EXESS has been built from the ground up with the best high performance computing practices in mind. This allows EXESS to perform ab initio calculations at unprecendented speed and scale.
The main development of EXESS is done at the Australian National University and the University of Melbourne, in Australia.