dask¶

worker

pyrosetta.distributed.dask.init_notebook(init_flags=None)¶

Initialize PyRosetta with command line flags.

For example, to execute in a Jupyter Notebook:

import pyrosetta.distributed.dask pyrosetta.distributed.dask.init_notebook(init_flags)

pyrosetta.distributed.dask.worker_extra(init_flags=None, local_directory=None)¶

Format flags and local directory for dask worker preload.

Convenience function that optionally accepts unformatted PyRosetta command line flags as the init_flags option, and a working directory for dask worker processes to output files as the local_directory option, which are then formatted into a dask worker process extra commands list. If init_flags is not specified, PyRosetta is initialized on the dask worker process without command line flags. If local_directory is not specified, the dask worker default directory ./dask-worker-space is used.

For example, to execute on a SLURM scheduler via dask_jobqueue:

from dask_jobqueue import SLURMCluster import pyrosetta.distributed.dask cluster = SLURMCluster(

cores=1, processes=1, memory=”4GB”, extra=pyrosetta.distributed.dask.worker_extra(init_flags, local_directory)

)