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Parallel run #38

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almeida85 opened this issue Jun 30, 2023 · 2 comments
Open

Parallel run #38

almeida85 opened this issue Jun 30, 2023 · 2 comments

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@almeida85
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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.
@Aunity
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Aunity commented Jul 3, 2023

The multiple CPU only support for multiple ligands.

@almeida85
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So, I should pass a folder with ligands with -d LIGDIR, correct?

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@Aunity @almeida85