Are the LCHIMAG routines GPU accelerated

[matthias_kellner]

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]

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