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Dynamically modifying the .electron_object.executor
from an imported electron does not always work as expected
#1889
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.electron_object.executor
from an imported electron does not always work with sublattices.electron_object.executor
from an imported electron does not always work as expected
…g job attributes (e.g. executor) (#1359) Continuation of #1322. Challenges: - Mainly Dask, which does not play nicely when `functools.partial()` is applied to a `Delayed` object. See dask/dask#10707. There is now a workaround. - Also there is a minor issue with dynamic switching of Covalent executors, but there is a workaround. See AgnostiqHQ/covalent#1889 Remaining issue: Need to be able to parallelize the following code on Dask. ```python from dask.distributed import Client from ase.build import bulk from quacc.recipes.emt.slabs import bulk_to_slabs_flow from functools import partial client = Client() atoms = bulk("Cu") delayed = bulk_to_slabs_flow(atoms) result = client.gather(client.compute(delayed)) ``` Hint: To monitor, set `"logfile": ""`. --------- Co-authored-by: deepsource-autofix[bot] <62050782+deepsource-autofix[bot]@users.noreply.github.com>
Thanks for this @Andrew-S-Rosen ideally it should be so that all kwargs of electrons are properties as well that can be set post creation. I will update the issue as a bug/feature-enhancement as well. Cc: @kessler-frost / @jimmylism |
CC: @cjao , any quick idea on why this would be the case for packages? |
@Andrew-S-Rosen I think this may be due to how the objects are imported: https://stackoverflow.com/a/3536638 |
@Andrew-S-Rosen This is a fun question and boils down to how cloudpickle (Covalent's serialization mechanism) works. The key difference between your examples (1) non-working import covalent as ct
from mypackage import increment, subflow
@ct.lattice
def workflow(x, op):
return subflow(x, op)
increment.electron_object.executor = "local"
ct.dispatch(workflow)(1, increment) (2) working import covalent as ct
from mypackage import increment
@ct.lattice
def workflow(x, op):
return op(x)
increment.electron_object.executor = "local"
ct.dispatch(workflow)(1, increment) is that (1) pickles the wrapped Example: mypackage.py class Electron:
def __init__(self):
self.executor = "dask"
def my_func():
pass
my_func.electron_object = Electron() main.py import cloudpickle
import mypackage
mypackage.my_func.electron_object.executor = "local"
with open("my_func.pkl", "wb") as f:
cloudpickle.dump(mypackage.my_func, f) exec.py import pickle
with open("my_func.pkl", "rb") as f:
my_func = pickle.load(f)
print(my_func.electron_object.executor)
But now if we instruct cloudpickle to serialize the main.py import cloudpickle
import mypackage
mypackage.my_func.electron_object.executor = "local"
cloudpickle.register_pickle_by_value(mypackage)
with open("my_func.pkl", "wb") as f:
cloudpickle.dump(mypackage.my_func, f) we get
|
@wjcunningham7, @cjao: Thank you both for the very insightful replies!
That's the main takeaway for sure. I didn't realize that --- subtle! In any case, this isn't a major issue, but I did want to flag it as a potential "gotcha." With this response, I feel pretty comfortable knowing what's going on now. Feel free to close if you wish! |
Environment
What is happening?
Modifying the
.electron_object.executor
field of an imported electron does not always carry over in select circumstances.How can we reproduce the issue?
Alright, bear with me for a moment! This is a pretty niche issue report.
Take the following example code:
This works perfectly. The
increment
job runs with the local executor rather than the Dask executor.However, if you move the electron and sublattice into a Python package and import them, the executor is not updated appropriately:
Here, the
increment
job will run via the Dask executor. This was as minimal of an example as I could make to reproduce the issue (see below).What should happen?
The modified
.executor
field should be retained.Any suggestions?
The following alternative approach works fine:
Note that simpler examples do work. For instance, the following example works fine:
Maybe this has something to do with the mutability of
increment
... could very well be me.The text was updated successfully, but these errors were encountered: