Are the LCHIMAG routines GPU accelerated

Questions regarding the compilation of VASP on various platforms: hardware, compilers and libraries, etc.


Moderators: Global Moderator, Moderator

Post Reply
Message
Author
matthias_kellner
Newbie
Newbie
Posts: 2
Joined: Mon Jun 17, 2024 8:20 am

Are the LCHIMAG routines GPU accelerated

#1 Post by matthias_kellner » Mon Jun 17, 2024 8:24 am

Dear Forum,

I kindly wanted to ask whether the NMR shielding calculations via the LCHIMAG routine are GPU accelerated ?
Is there an overwiew that shows which routines are accelerated?

Best regards,
Matthias

pedro_melo
Global Moderator
Global Moderator
Posts: 127
Joined: Thu Nov 03, 2022 1:03 pm

Re: Are the LCHIMAG routines GPU accelerated

#2 Post by pedro_melo » Tue Jun 18, 2024 8:52 am

Dear Matthias,

As far as I can see inside the nmr.F file, several routines have OpenACC support. You can find which by searching for "_OPENACC" inside the file.

Kind regards,
Pedro

Post Reply