AMSET Run Error in Scattering Part

AMSET
1

Dear Alex

I am trying to learn to use AMSET but I am getting an error like below. I did not understand the reason. can you help me ?


  Examining material properties to determine possible scattering 
  mechanisms

  Scattering mechanisms to be calculated: ADP, IMP, POP

  Initializing deformation potential interpolator

  
    ERROR: amset exiting on 22 Mar 2023 at 10:14
  Traceback (most recent call last):
    File "/Users/emb/miniconda3/bin/amset", line 8, in <module>
      sys.exit(cli())
    File "/Users/emb/miniconda3/lib/python3.8/site-
  packages/click/core.py", line 1128, in __call__
      return self.main(*args, **kwargs)
    File "/Users/emb/miniconda3/lib/python3.8/site-
  packages/click/core.py", line 1053, in main
      rv = self.invoke(ctx)
    File "/Users/emb/miniconda3/lib/python3.8/site-
  packages/click/core.py", line 1659, in invoke
      return _process_result(sub_ctx.command.invoke(sub_ctx))
    File "/Users/emb/miniconda3/lib/python3.8/site-
  packages/click/core.py", line 1395, in invoke
      return ctx.invoke(self.callback, **ctx.params)
    File "/Users/emb/miniconda3/lib/python3.8/site-
  packages/click/core.py", line 754, in invoke
      return __callback(*args, **kwargs)
    File "/Users/emb/miniconda3/lib/python3.8/site-
  packages/amset/tools/run.py", line 139, in run
      runner.run()
    File "/Users/emb/miniconda3/lib/python3.8/site-
  packages/amset/core/run.py", line 65, in run
      mem_usage, (amset_data, usage_stats) = memory_usage(
    File "/Users/emb/miniconda3/lib/python3.8/site-
  packages/memory_profiler.py", line 379, in memory_usage
      returned = f(*args, **kw)
    File "/Users/emb/miniconda3/lib/python3.8/site-
  packages/amset/core/run.py", line 120, in _run_wrapper
      amset_data, scattering_time = self._do_scattering(amset_data)
    File "/Users/emb/miniconda3/lib/python3.8/site-
  packages/amset/core/run.py", line 264, in _do_scattering
      scatter = ScatteringCalculator(
    File "/Users/emb/miniconda3/lib/python3.8/site-
  packages/amset/scattering/calculate.py", line 111, in __init__
      self.scatterers = self.get_scatterers(scattering_type, 
  settings, amset_data)
    File "/Users/emb/miniconda3/lib/python3.8/site-
  packages/amset/scattering/calculate.py", line 352, in 
  get_scatterers
      return [
    File "/Users/emb/miniconda3/lib/python3.8/site-
  packages/amset/scattering/calculate.py", line 353, in <listcomp>
      _scattering_mechanisms[name].from_amset_data(settings, 
  amset_data)
    File "/Users/emb/miniconda3/lib/python3.8/site-
  packages/amset/scattering/elastic.py", line 122, in from_amset_data
      raise RuntimeError(
  RuntimeError: Deformation potential file does not contain the 
  correct number of bands
  Ensure it was generated using the same energy_cutoff as this AMSET 
  run.
resource_tracker: process died unexpectedly, relaunching.  Some resources might leak.
Traceback (most recent call last):
  File "/Users/emb/miniconda3/lib/python3.8/multiprocessing/resource_tracker.py", line 201, in main
    cache[rtype].remove(name)
KeyError: '/mp-5z2o10ee'
1 Like
2

Dear Emre:

Can you solve this question? I also meet this problem.

1 Like
3

Hi @Emre and @xiaoying

I found, in my case, that the “KeyError: '/mp-5z2o10ee’” was related to incorrect elastic constants (negative). So, getting accurate elastic constants may solve your problem.

In my limited experience so far, the error "RuntimeError: Deformation potential file does not contain the correct number of bands. Ensure it was generated using the same energy_cutoff as this AMSET run." is related to energy-cutoff parameter in settings.yaml file. Try using 1.5 value, it worked for me.

Not 100% sure, but hope it helps.

regards,
Abhijeet.