Thanks. -- Rudy
On Mon, Feb 28, 2022 at 4:51 AM Noel O'Boyle <baoille...@gmail.com> wrote: > 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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