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instantons [2023/05/04 07:49] – mppx mode (no more --mppx option) doll | instantons [2023/05/15 21:39] – mppx may | ||
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===== Parallelization ===== | ===== Parallelization ===== | ||
- | The ring-polymer instanton approach is naturally parallelized by computing the energies and gradients of each bead on separate processors. It is necessary to run Molpro in mppx-mode and it is recommended for the number of processors used to be a factor of the number of beads. | + | The ring-polymer instanton approach is naturally parallelized by computing the energies and gradients of each bead on separate processors. It is recommended for the number of processors used to be a factor of the number of beads. |
===== Examples ===== | ===== Examples ===== |