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docs/tutorials/index.rst

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@@ -7,3 +7,4 @@ Below, a list of the HADDOCK3 tutorials:
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:maxdepth: 1
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benchmark
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mpi

docs/tutorials/mpi.md

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# Running HADDOCK3 with MPI
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To run this example you must have `mpi4py` installed in the haddock3 python environment, and `OpenMPI` in the host system.
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To run this example you must have `mpi4py` installed in the haddock3 python
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environment, and `OpenMPI` in the host system.
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```bash
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$ pip install mpi4py
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# or
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$ conda install -c conda-forge mpi4py
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```
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**Do not run it as: `mpirun -np haddock3 run.cfg`**, this logic is handled internally.
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**Do not run it as: `mpirun -np haddock3 run.cfg`**, this logic is handled
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internally.
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Edit the `.cfg` according to the `.job` parameters you have set
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ncores = 480
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```
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Then prepare the rest of the `.job` file according to your cluster, a SLURM example is provided at `haddock3/examples/docking-protein-protein/docking-protein-protein-mpi.job` and below:
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Then prepare the rest of the `.job` file according to your cluster, a SLURM
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example is provided at
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`haddock3/examples/docking-protein-protein/docking-protein-protein-mpi.job` and
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below:
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```bash
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#!/bin/bash

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