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
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