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| instantons [2023/05/04 07:49] – mppx mode (no more --mppx option) doll | instantons [2024/01/08 13:24] (current) – external edit 127.0.0.1 | ||
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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 ===== | ||