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0198b1d
TODO: Revisit these changes
dwhswenson Jul 21, 2020
d48acad
Add initial dask_integration & parallel_committor
dwhswenson Jul 21, 2020
8a91e8a
Improvements to gmx engine tools
dwhswenson Jul 21, 2020
de565ab
Changes to make storage objects storable
dwhswenson Jul 22, 2020
b355bd3
updates to dask integration/parallel committor
dwhswenson Jul 22, 2020
f182ada
Modifications to external/gmx for parallelization
dwhswenson Jul 23, 2020
4196ff8
add finalize to force dask to run
dwhswenson Jul 23, 2020
5b48708
Fix problem with dask pickling args to submit
dwhswenson Jul 24, 2020
331f541
make NewCommittor into an actual committor
dwhswenson Jul 27, 2020
3f8c219
Merge remote-tracking branch 'upstream/master' into dask_committor_2020
dwhswenson Jul 28, 2020
e06bbd3
Merge branch 'storable_functions' into dask_committor_2020
dwhswenson Jul 28, 2020
776d95b
Merge branch 'storable_functions' into dask_committor_2020
dwhswenson Sep 23, 2020
3f6dd10
Merge branch 'master' into dask_retis_2021
dwhswenson Dec 21, 2020
1619518
fix OPS storage from_dict for memory backend
dwhswenson Dec 21, 2020
f3e3893
update dask stuff for new simstore locations
dwhswenson Dec 21, 2020
0e340d9
Merge branch 'simstore-openmm' into dask_retis_2021
dwhswenson Dec 21, 2020
43e7aa3
AD committor now runs with updated SimStore stuff
dwhswenson Dec 22, 2020
8c04c83
Merge branch 'simstore-simplify' into dask_retis_2021
dwhswenson Dec 22, 2020
f602414
fixes for dask/pickling support
dwhswenson Dec 23, 2020
5c724c5
minor cleanup to get toy repex model working
dwhswenson Dec 26, 2020
946722e
Merge remote-tracking branch 'upstream/master' into dask_retis_2021
dwhswenson Jan 22, 2021
0e8833e
Move parallel stuff to experimental.parallel
dwhswenson Jan 23, 2021
ac33c18
Merge remote-tracking branch 'upstream/master' into dask_retis_2021
dwhswenson Mar 5, 2021
4c248f8
Merge remote-tracking branch 'upstream/master' into dask_retis_2021
dwhswenson Mar 24, 2021
ec840e9
Merge remote-tracking branch 'upstream/master' into dask_retis_2021
dwhswenson Jul 5, 2021
72cc8f9
Merge remote-tracking branch 'upstream/master' into dask_retis_2021
dwhswenson Jul 12, 2021
169cd80
Start tests for dask integration
dwhswenson Jul 13, 2021
e5b6ec5
fix import
dwhswenson Jul 13, 2021
23cf5c0
Add Scheduler + Gromacs tests
dwhswenson Jul 13, 2021
2fa014d
Merge remote-tracking branch 'upstream/master' into dask_retis_2021
dwhswenson Aug 9, 2021
6b6cf1b
Merge remote-tracking branch 'upstream/master' into dask_retis_2021
dwhswenson Sep 12, 2021
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fix import
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dwhswenson committed Jul 13, 2021
commit e5b6ec51f99f280e44443262131cc1387574acbc
Original file line number Diff line number Diff line change
@@ -1,7 +1,8 @@
import pytest
import openpathsampling as paths

from dask_integration import SerialScheduler, DaskDistributedScheduler
from openpathsampling.experimental.parallel.dask_integration import \
SerialScheduler, DaskDistributedScheduler

from openpathsampling.integration_tools import HAS_OPENMM, HAS_MDTRAJ
from openpathsampling.tests.test_gromacs_engine import has_gmx as HAS_GMX
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