See also using GNU parallel in combo with obabel. Some starting points on my blog and in comments: https://baoilleach.blogspot.com/2013/11/got-cpus-to-burn-put-em-to-work-with.html
When I need to do this myself these days I just use multiprocessing and Python. On Mon, 28 Feb 2022 at 00:50, Francois Berenger <mli...@ligand.eu> wrote: > On 28/02/2022 05:45, Rudy Richardson wrote: > > 1. Is there a straightforward way to run obabel with n cpu cores? > > Straightforward, I am not sure. > > However, there are several ways: > - xargs and its -L option > - https://github.com/UnixJunkie/PAR > - https://github.com/UnixJunkie/pardi > > If you show us the obabel command you want to use, plus an example > input file, we might give you a runable example. > > > > > 2. What about obabel on GPUs? > > > > Thanks. > > > > -- Rudy > > _______________________________________________ > > OpenBabel-discuss mailing list > > OpenBabel-discuss@lists.sourceforge.net > > https://lists.sourceforge.net/lists/listinfo/openbabel-discuss > > > _______________________________________________ > OpenBabel-discuss mailing list > OpenBabel-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/openbabel-discuss >
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