OpenACC GPU port of VASP
With VASP.6.2.0 we officially released the OpenACC GPU-port of VASP: Official in the sense that we now strongly recommend to use this OpenACC version to run VASP on GPU accelerated systems.
The previous CUDA-C GPU-port of VASP is considered to be deprecated and is no longer actively developed, maintained, or supported. In the near future, the CUDA-C GPU-port of VASP will be dropped completely.
Requirements
Software stack
- To compile the OpenACC version of VASP you need either the NVIDIA HPC-SDK or a recent version (>=19.10) of PGI's Compilers & Tools.
- In principle any compiler that supports at least OpenACC standard 2.6 should do the trick, but we have tried and tested the aforementioned ones.