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Analysis tools errors #5

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atbogetti opened this issue Nov 5, 2019 · 0 comments
Open

Analysis tools errors #5

atbogetti opened this issue Nov 5, 2019 · 0 comments

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@atbogetti
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atbogetti commented Nov 5, 2019

Hello,

I've tried out some of the analysis tools as well with my system's h5 file. w_ipa does not work, I get the following error:

Welcome to w_ipa (WESTPA Interactive Python Analysis) v. 1.0B!
Run w.introduction for a more thorough introduction, or w.help to see a list of options.
Running analysis & loading files.
Traceback (most recent call last):
File "/home/atb43/Documents/py3_westpa/lib/west_tools/w_ipa.py", line 777, in
w.main()
File "/home/atb43/Documents/py3_westpa/lib/west_tools/westtools/core.py", line 176, in main
self.go()
File "/home/atb43/Documents/py3_westpa/lib/west_tools/w_ipa.py", line 697, in go
self.analysis_structure()
File "/home/atb43/Documents/py3_westpa/lib/west_tools/w_ipa.py", line 300, in analysis_structure
new_hash = self.hash_args(args=args, path=path, extra=[int(self.niters), pickle.dumps(assign.binning.mapper).encode('base64'), str(assign.states).encode('base64')])
AttributeError: 'bytes' object has no attribute 'encode'

Similarly, w_assign also does not work. Here is what I get:

Traceback (most recent call last):
File "/home/atb43/Documents/py3_westpa/lib/west_tools/w_assign.py", line 560, in
WAssign().main()
File "/home/atb43/Documents/py3_westpa/lib/west_tools/westtools/core.py", line 173, in main
self.make_parser_and_process()
File "/home/atb43/Documents/py3_westpa/lib/west_tools/westtools/core.py", line 154, in make_parser_and_process
self.process_all_args(args)
File "/home/atb43/Documents/py3_westpa/lib/west_tools/westtools/core.py", line 80, in process_all_args
fn(self,args)
File "/home/atb43/Documents/py3_westpa/lib/west_tools/w_assign.py", line 289, in process_args
self.binning.process_args(args)
File "/home/atb43/Documents/py3_westpa/lib/west_tools/westtools/binning.py", line 355, in process_args
self.mapper, self.mapper_pickle, self.mapper_hash = mapper_from_hdf5(self.mapper_source_group, self.mapper_source_hash)
File "/home/atb43/Documents/py3_westpa/lib/west_tools/westtools/binning.py", line 90, in mapper_from_hdf5
mapper = pickle.loads(pkldat)
UnicodeDecodeError: 'ascii' codec can't decode byte 0xae in position 0: ordinal not in range(128)

Here is the analysis portion of my west.cfg:

analysis:
directory: ANALYSIS # specify the directory all analysis files should exist in.
kinetics: # general options for both kinetics routines.
step_iter: 1
evolution: cumulative
extra: [ 'disable-correl' ]
analysis_schemes: # Analysis schemes. Required: name (TEST), states, and bins
DEFAULT:
enabled: True
bins:
- type: RectilinearBinMapper
boundaries:
- [0.0, 1.6, 'inf']
states:
- label: unbound
coords:
- [20]
- label: bound
coords:
- [1.56]

I didn't test w_direct, since w_assign did not work.
The following tools work just fine:

  • w_succ
  • w_trace
  • w_pdist
  • plothist

Thanks,
Anthony

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