compatibility of vasp in Nvidia Quadro RTX 6000

[bhargabkakati]

Dear experts,

I am currently considering upgrading my system and I'm particularly interested in the Nvidia Quadro RTX 6000, 24GB, 4DP, VirtualLink (xx20) GPU for my computational tasks. Before making a commitment, I would like to confirm the compatibility of VASP with this specific GPU model. Has anyone had experience running VASP on the Nvidia Quadro RTX 6000, 24GB, 4DP, VirtualLink (xx20) GPU? If so, could you kindly share your insights regarding performance, any potential issues, or specific configuration tweaks that might be necessary? I would greatly appreciate any feedback or experiences shared by the community members related to running VASP on this GPU.

Thank you in advance.

[manuel_engel1]

Dear bhargabkakati,

We have no experience running VASP on this particular GPU model. However, GPU parallelization in VASP is enabled by the OpenACC standard, which is in principle device agnostic. Different compilers may offer different levels of support for the OpenACC standard. If you have compatibility concerns, I would suggest first contacting your compiler vendor. They might provide useful information on supported GPU models regarding their OpenACC implementation.

[bhargabkakati]

Thank your for your response and suggestion.