VASP on grace hopper modules

Queries about input and output files, running specific calculations, etc.


Moderators: Global Moderator, Moderator

Post Reply
Message
Author
jonathan_schmidt
Newbie
Newbie
Posts: 9
Joined: Sat Jun 10, 2023 1:44 pm

VASP on grace hopper modules

#1 Post by jonathan_schmidt » Mon Sep 11, 2023 8:55 am

Dear VASP team,
Is there already any data available of VASP running on the the nvidia grace hopper GH200 nodes or any plans to port it?
best,
Jonathan

merzuk.kaltak
Administrator
Administrator
Posts: 282
Joined: Mon Sep 24, 2018 9:39 am

Re: VASP on grace hopper modules

#2 Post by merzuk.kaltak » Wed Sep 13, 2023 7:12 am

Dear Jonathan,

VASP runs on modern NVIDIA GPUs by facilitating the accelerators using OpenACC.
It is safe to assume, that VASP will run out of the box on GH200 and the "porting" will be entirely done by the Nvidia compiler.

As of today (September 2023), there is no data of VASP running on Grace Hopper GH200 available.
According to Nvidia's press release first systems will be shipped in Q2 of 2024.

Post Reply