Parallel run

Question

almeida85 opened this issue a year ago · 2 comments

Hello,
I am using Uni-GBSA as:

unigbsa-pipeline -i receptor.pdb -l ligand.pdb -o outpud.csv -nt 10

but it only runs on a single CPU. How can I run the command in parallel on multiple CPUs?

Thanks in advance.

Answer 1 · 2023-07-03T14:59:14.000Z

The multiple CPU only support for multiple ligands.

Answer 2 · 2023-07-04T11:58:15.000Z

So, I should pass a folder with ligands with -d LIGDIR, correct?