NEW RELEASE: VASP with GPU support
A new release of VASP, version 5.4.1.05Feb16, is available for download now (for all holders of a valid "VASP.5.2" license)!
This release includes a port of VASP for GPU accelerated hardware!
Several core algorithms of VASP have been ported to run on GPU accelerated hardware, e.g.:
- Blocked-Davidson and RMM-DIIS
- Hybrid functionals
- Application of the real-space projection operators
The GPU port of VASP only exists because of the excellent work of the following people:
- Maxwell Hutchinson (University of Chicago) and Mike Widom (Carnegie Mellon).
- Xavier Rozanska and Paul Fleurat-Lessard (ENS-Lyon).
- Mohamed Hacene, Ani Anciaux-Sedrakian, Diego Klahr, and Thomas Guignon (IFPEN).
- Jeroen Bedorf, Przemyslaw Tredak, Dusan Stosic, Arash Ashari, Paul Springer Darko Stosic, Christoph Angerer, and Sarah Tariq (NVIDIA).
If you'd like to read up on this topic, have a look at:
And check out the following: