Interface of S2EF for LAMMPS

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Dear All,

We have implemented an interface of S2EF for LAMMPS as machine learning potential. And the interface is shared at github: https://github.com/advancesoftcorp/lammps. You can call S2EF from LAMMPS as one of pair_style potentials. When you compile the code, you have to install the package of OC20DRIVER as “make yes-OC20DRIVER”. Also see /examples/OC20DRIVER and /potentials/OC20DRIVER. It would be great that this interface interests anyone here.

Best regards,
Satomichi Nishihara,
AdvanceSoft Corp.

2 Likes
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Thanks for sharing! This opens up lots of interesting opportunities.

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Thank you sharing GitHub - advancesoftcorp/lammps: Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.
I try to run GemNet model on 2 or more GPUs in this lammps. But failed. Is it support to run on multi-gpus ?

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Sorry, it does not support multiple GPUs.