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WESTPA Error with init.sh

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Antryg Benedict

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Apr 16, 2024, 11:14:40 AM4/16/24
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Dear WESTPA Community,

I recently installed WESTPA, and I am getting an error trying to run init.sh for tutorial 7.1:

Calculating progress coordinate values for basis states.
Traceback (most recent call last):
  File "/mnt/home/benedi89/anaconda3/envs/westpa2/bin/w_init", line 10, in <module>
    sys.exit(entry_point())
  File "/mnt/home/benedi89/anaconda3/envs/westpa2/lib/python3.10/site-packages/westpa/cli/core/w_init.py", line 111, in entry_point
    initialize(
  File "/mnt/home/benedi89/anaconda3/envs/westpa2/lib/python3.10/site-packages/westpa/cli/core/w_init.py", line 218, in initialize
    sim_manager.initialize_simulation(
  File "/mnt/home/benedi89/anaconda3/envs/westpa2/lib/python3.10/site-packages/westpa/core/sim_manager.py", line 285, in initialize_simulation
    self.get_bstate_pcoords(basis_states)
  File "/mnt/home/benedi89/anaconda3/envs/westpa2/lib/python3.10/site-packages/westpa/core/sim_manager.py", line 226, in get_bstate_pcoords
    basis_states[fmap[future]].pcoord = future.get_result().pcoord
  File "/mnt/home/benedi89/anaconda3/envs/westpa2/lib/python3.10/site-packages/westpa/work_managers/core.py", line 334, in get_result
    raise self._exception.with_traceback(self._traceback)
  File "/mnt/home/benedi89/anaconda3/envs/westpa2/lib/python3.10/site-packages/westpa/work_managers/threads.py", line 22, in run
    result = self.fn(*self.args, **self.kwargs)
  File "/mnt/home/benedi89/anaconda3/envs/westpa2/lib/python3.10/site-packages/westpa/core/wm_ops.py", line 11, in get_pcoord
    propagator.get_pcoord(state)
  File "/mnt/home/benedi89/anaconda3/envs/westpa2/lib/python3.10/site-packages/westpa/core/propagators/executable.py", line 631, in get_pcoord
    self.retrieve_dataset_return(state, return_files, del_return_files, True)
  File "/mnt/home/benedi89/anaconda3/envs/westpa2/lib/python3.10/site-packages/westpa/core/propagators/executable.py", line 602, in retrieve_dataset_return
    log.debug('deleted {} file {!r} for segment {}'.format(dataset, filename, segment.seg_id))
AttributeError: 'BasisState' object has no attribute 'seg_id'

Can anyone help explain why I am getting this error message and how to fix it?

Thank you,
Antryg


Jeremy Leung

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Apr 16, 2024, 11:17:38 AM4/16/24
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Hi Antryg,

It's a bug in the newest 2022.07 release. We'll be releasing 2022.08 later today to fix this.

For the time being, you can install 2022.06 via:
`conda install -c conda-forge westpa=2022.06` or `python -m pip install westpa==2022.06`

Sorry about that! I'll send an update when it's up.

Best,

Jeremy L.

Antryg Benedict

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Apr 16, 2024, 11:41:15 AM4/16/24
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Hello Jeremy,

Thank you!

Best,
Antryg

Jeremy Leung

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Apr 16, 2024, 2:27:33 PM4/16/24
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Hi Antryg,

v2022.08 should be on PyPI and most of the builds should be on conda. (Anaconda servers update every two hours or so, so might take a while for everything to show up)

Thanks for reporting the bug!

Best,

Jeremy L.
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