Enabling Unified Virtual Addressing with VASP 6.4

[sergio_tosoni1]

We installed VASP 6.4.2 on a machine equipped with two AMD Epyc cpus and an NVIDIA A100 80GB GPU. The code runs fairly well on the GPU. However, we noticed that it relies only the GPU's dedicated memory (80 GB) and any test case with a higher memory request crashes. We tried to enable the unified virtual addressing strategy to make both the GPU memory and the system memory available to VASP, but up to now without success.
Is there any specific requirement in terms of CUDA drivers or flags during the compilation to be aware of?
We are using CUDA 12.3 on Linux Centos 7.
Thank you,

[jonathan_lahnsteiner2]

Dear sergio_tosoni1,

Currently this is not possible with vasp. There were no tests done about unified virtual memory
addressing and therefore there is no knowledge yet about adressing issues in this direction.

All the best Jonathan