/usr/share/python-ase/doc/ase/parallel.rst is in python-ase-doc 3.15.0-1.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 | .. module:: ase.parallel
=====================
Parallel calculations
=====================
ASE will automatically run in parallel, if it can import an MPI communicator
from any of the supported libraries. ASE will attempt to import communicators
from these external libraries: GPAW, Asap, Scientific MPI and
MPI4PY.
If a parallel library is found, the :func:`ase.io.read` function will always
read only on master (of the MPI world object) and broadcast the atoms to all
other cores. Therefore, always when using :func:`ase.io.read`, all cores must
read the same atoms in same order, for example in the case of NEB
calculation.
If one requires an individual core/cores to read a particular file, please
use :func:`~ase.io.Trajectory`:
>>> from ase.io import Trajectory
>>> from ase.parallel import world
>>> atoms = Trajectory('myfile_{}.traj'.format(world.rank))[-1]
.. autofunction:: paropen
.. autofunction:: parprint
.. autofunction:: broadcast
.. autofunction:: parallel_function
.. autofunction:: parallel_generator
|