"amset run nworkers 40" and "amset eff-mass vasprun.xml" ERROR

[Li-HX580]

When i run "amset run nworkers 40",Display error as "No such file or directory: 'settings.yaml'" And When i run "amset eff-mass vasprun.xml" to calculate the effective mass of a small two-dimensional material,it has no problem.But when i use it to calculate a vertically arranged two-dimensional heterojunction,it always killed when calculating to 85%.I am a novice player in code, so I don't know how to solve them.

[Li-HX580]

(amset) [root@hzwhpc band]# amset eff-mass vasprun.xml

             █████╗ ███╗   ███╗███████╗███████╗████████╗
            ██╔══██╗████╗ ████║██╔════╝██╔════╝╚══██╔══╝
            ███████║██╔████╔██║███████╗█████╗     ██║
            ██╔══██║██║╚██╔╝██║╚════██║██╔══╝     ██║
            ██║  ██║██║ ╚═╝ ██║███████║███████╗   ██║
            ╚═╝  ╚═╝╚═╝     ╚═╝╚══════╝╚══════╝   ╚═╝

                                                v0.4.22

  Ganose, A. M., Park, J., Faghaninia, A., Woods-Robinson,
  R., Persson, K. A., Jain, A. Efficient calculation of
  carrier scattering rates from first principles.
  Nat. Commun. 12, 2222 (2021)

amset starting on 11 Sep 2024 at 19:18

Run parameters:
  ├── scattering_type: ['CRT']
  ├── doping: [-1.e+15  1.e+15]
  ├── temperatures: [300]
  ├── soc: True
  ├── zero_weighted_kpoints: prefer
  ├── interpolation_factor: 10
  ├── wavefunction_coefficients: wavefunction.h5
  ├── use_projections: False
  ├── unity_overlap: True
  ├── free_carrier_screening: False
  ├── defect_charge: 1
  ├── compensation_factor: 2
  ├── constant_relaxation_time: 1e-14
  ├── energy_cutoff: 1.5
  ├── fd_tol: 0.05
  ├── dos_estep: 0.01
  ├── symprec: 0.01
  ├── nworkers: -1
  ├── cache_wavefunction: True
  ├── calculate_mobility: False
  ├── separate_mobility: False
  ├── mobility_rates_only: False
  ├── write_input: False
  ├── write_mesh: False
  ├── print_log: True
  └── write_log: False


~~~~~~~~~~~~~~~~~~~~~~~~~~~~ STRUCTURE ~~~~~~~~~~~~~~~~~~~~~~~~~~~~

Structure information:
  ├── formula: MoSnCTe₂
  ├── # sites: 5
  └── space group: Cm

Lattice:
  ├── a, b, c [Å]: 3.56, 3.56, 29.26
  └── α, β, γ [°]: 90, 90, 120


~~~~~~~~~~~~~~~~~~~~~~~~~~ BAND STRUCTURE ~~~~~~~~~~~~~~~~~~~~~~~~~

Input band structure information:
  ├── # bands: 128
  ├── # k-points: 60
  ├── Fermi level: -0.042 eV
  ├── spin polarized: False
  └── metallic: False

Band gap:
  ├── direct band gap: 0.826 eV
  └── direct k-point: [0.33, 0.33, 0.00]

Valence band maximum:
  ├── energy: -0.461 eV
  ├── k-point: [0.33, 0.33, 0.00]
  └── band indices: 44

Conduction band minimum:
  ├── energy: 0.366 eV
  ├── k-point: [0.33, 0.33, 0.00]
  └── band indices: 45


~~~~~~~~~~~~~~~~~~~~~~~~~~ INTERPOLATION ~~~~~~~~~~~~~~~~~~~~~~~~~~

Getting band interpolation coefficients
  └── time: 0.4844 s

Interpolation parameters:
  ├── k-point mesh: 29x29x3
  └── energy cutoff: 1.5 eV

Interpolating spin-up bands 33-50
  └── time: 0.5319 s

Generating tetrahedron mesh vertices
  └── time: 0.0453 s

Initializing tetrahedron band structure
  └── time: 0.6936 s

Initializing momentum relaxation time factor calculator


~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ DOS ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

DOS parameters:
  ├── emin: -6075.53 eV
  ├── emax: 6917.41 eV
  ├── dos weight: 1
  └── n points: 1299294

Generating tetrahedral DOS:
  ├── DOS:        85%|██████████████████████▉    | 1:37:13<20:04:48Killed

[utf]

For your first bug, you will need to specify a settings.yaml file as described in the documentation and in the examples.

For your second error, unfortunately, AMSET is not compatible with 2D materials.