ESPEI uses dask-distributed for MPI parallelization. To use this, you need to start a dask scheduler outside of ESPEI rather than depending on ESPEI to start one for you. dask provides a dask-mpi command that sets this up for you and creates a scheduler file to pass to ESPEI. The scheduler information will be serialized as a JSON file that you set in your ESPEI input file.

After starting the scheduler on the cluster, you run ESPEI like normal.


For the most part, this ESPEI input file is the same as you use locally, except the scheduler parameter is set to the name of your scheduler file.

Here is an example for multiphase fitting starting from a generated TDB with a scheduler file named my-scheduler.json:

  phase_models: my-phases.json
  datasets: my-input-data
  iterations: 1000
  input_db: my-tdb.tdb
  scheduler: my-scheduler.json

Example Batch Script

To start this scheduler and create the scheduler file, you run dask-mpi via mpirun (or other MPI executable). Since many MPI jobs are run through batch schedulers, an example script for a PBS job looks like:


#PBS -l nodes=1:ppn=20
#PBS -l walltime=48:00:00
#PBS -A open
#PBS -N espei-mpi
#PBS -o espei-mpi.out
#PBS -e espei-mpi.error

# starts the scheduler on MPI and creates the scheduler file called 'my_scheduler.json'
mpirun dask-mpi --scheduler-file my_scheduler.json --nthreads 1 &

# runs ESPEI as normal
espei --in espei-mpi-input.yaml