Hello,
I am trying to convert my own mechanisms to the required npz file.
With my current setup i can't manage to to this.
python interpreter.py -i h2o2.yaml
C:\Users\neuma\anaconda3\envs\reac-env\Lib\site-packages\torch\__init__.py:749: UserWarning: torch.set_default_tensor_type() is deprecated as of PyTorch 2.1, please use torch.set_default_dtype() and torch.set_default_device() as alternatives. (Triggered internally at ..\torch\csrc\tensor\python_tensor.cpp:433.)
_C._set_default_tensor_type(t)
Processing mechanism h2o2.yaml
C:\Users\neuma\anaconda3\envs\reac-env\Lib\site-packages\reactorch\solution.py:76: UserWarning: Creating a tensor from a list of numpy.ndarrays is extremely slow. Please consider converting the list to a single numpy.ndarray with numpy.array() before converting to a tensor. (Triggered internally at ..\torch\csrc\utils\tensor_new.cpp:277.)
self.molecular_weights = torch.Tensor([self.gas.molecular_weights]).T.to(self.device)
Traceback (most recent call last):
File "C:\Users\neuma\Documents\Arrhenius\interpreter.py", line 39, in <module>
sol = rt.Solution(mech_yaml=mech_yaml, device=torch.device('cpu'),
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\Users\neuma\anaconda3\envs\reac-env\Lib\site-packages\reactorch\solution.py", line 88, in __init__
self.set_reactions()
File "C:\Users\neuma\anaconda3\envs\reac-env\Lib\site-packages\reactorch\import_kinetics.py", line 77, in set_reactions
self.reaction[i] = {'equation': self.gas.reaction_equations(i)}
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "build\\python\\cantera\\kinetics.pyx", line 240, in cantera.kinetics.Kinetics.reaction_equations
TypeError: 'int' object is not iterable
My guess is that my cantera/pytorch/reactorch version is uncompatible. I would want to avoid modifying the interpreter.py script. If you could provide me with a requirement.txt to duplicate your environments, that would be great.
conda list of my current environment yields:
packages in environment at C:\Users\neuma\anaconda3\envs\reac-env:
Name Version Build Channel
blas 1.0 mkl
bzip2 1.0.8 h2bbff1b_6
ca-certificates 2024.3.11 haa95532_0
cantera 3.0.0 py311h859585b_1 cantera
contourpy 1.2.1 pypi_0 pypi
cycler 0.12.1 pypi_0 pypi
filelock 3.15.1 pypi_0 pypi
fonttools 4.53.0 pypi_0 pypi
fsspec 2024.6.0 pypi_0 pypi
hdf5 1.12.1 h51c971a_3
icc_rt 2022.1.0 h6049295_2
intel-openmp 2021.4.0 pypi_0 pypi
jinja2 3.1.4 pypi_0 pypi
kiwisolver 1.4.5 pypi_0 pypi
libcantera 3.0.0 h82bb817_1 cantera
libffi 3.4.4 hd77b12b_1
markupsafe 2.1.5 pypi_0 pypi
matplotlib 3.9.0 pypi_0 pypi
mkl 2021.4.0 pypi_0 pypi
mkl-service 2.4.0 py311h2bbff1b_1
mkl_fft 1.3.8 py311h2bbff1b_0
mkl_random 1.2.4 py311h59b6b97_0
mpmath 1.3.0 pypi_0 pypi
networkx 3.3 pypi_0 pypi
numpy 1.26.4 py311hdab7c0b_0
numpy-base 1.26.4 py311hd01c5d8_0
openssl 3.0.14 h827c3e9_0
packaging 24.1 pypi_0 pypi
pillow 10.3.0 pypi_0 pypi
pip 24.0 py311haa95532_0
pyparsing 3.1.2 pypi_0 pypi
python 3.11.9 he1021f5_0
python-dateutil 2.9.0.post0 pypi_0 pypi
reactorch 0.1.1 pypi_0 pypi
ruamel.yaml 0.17.21 py311h2bbff1b_0
scipy 1.13.1 pypi_0 pypi
setuptools 69.5.1 py311haa95532_0
six 1.16.0 pypi_0 pypi
sqlite 3.45.3 h2bbff1b_0
sympy 1.12.1 pypi_0 pypi
tbb 2021.12.0 pypi_0 pypi
tk 8.6.14 h0416ee5_0
torch 2.3.1+cu118 pypi_0 pypi
torchaudio 2.3.1+cu118 pypi_0 pypi
torchvision 0.18.1+cu118 pypi_0 pypi
typing-extensions 4.12.2 pypi_0 pypi
tzdata 2024a h04d1e81_0
vc 14.2 h2eaa2aa_1
vs2015_runtime 14.29.30133 h43f2093_3
wheel 0.43.0 py311haa95532_0
xz 5.4.6 h8cc25b3_1
zlib 1.2.13 h8cc25b3_1
Hello,
I am trying to convert my own mechanisms to the required npz file.
With my current setup i can't manage to to this.
python interpreter.py -i h2o2.yamlMy guess is that my cantera/pytorch/reactorch version is uncompatible. I would want to avoid modifying the interpreter.py script. If you could provide me with a requirement.txt to duplicate your environments, that would be great.
conda list of my current environment yields: