Can't find the config_file.txt

[wodebc]

[wodebc]

Hello Pedro,
I came across your simetuc code and would like to try it for my own research. However, after I installed all the packages, when I execute the command:
"simetuc config_file.txt -v -1".

An error popped up:
usage: simetuc-script.py [-h] [--version] [-v | -q] [--no-plot] [--average]
[-l | -d | -s | -p | -c [d] | -o]
[--no-save | --save-txt]
configFilename
simetuc-script.py: error: unrecognized arguments: -1

It seems that there is no such a file named "config_file.txt". Could you tell me how to figure it out? Thanks very much.

[pedvide]

Hello,

When you execute simetuc config_file.txt <options>, you're asking simetuc to read a file with the configuration of your problem. This file has to be present in the same folder from where you're executing simetuc (in your case C:\Users\UCN-912, but I recommend that you create a subfolder and work inside it).

The manual describes the configuration file in detail. I also provide several examples, for example: https://github.com/pedvide/simetuc/blob/master/simetuc/config_file.cfg.
You'll have to download this file and place it in your work folder, and of course, adapt the file to your problem.

Another problem that you had is that initially you executed simetuc config_file.txt -v -1, but -1 is not an option. Most likely you wanted to generate the lattice, the command for that is -l (a lowercase L letter, not the number one).

I hope this helps, let me know if you have more issues.

[wodebc]

Hi Pedro,
Thanks so much for your quick reply.
I first downloaded the "cofig_file.cfg" from the link you gave, and copied it to a new folder, where I executed the command, "simetuc config_file.txt‘’.But I got an error and it said there was no 'config_file.txt' file).
Then, I simply changed the name of 'config_file.cfg' to 'config_file.txt', but still got the following error:
(base) C:\Users\UCN-912\test>simetuc config_file.txt -v -l
20:29:01 - simetuc : INFO Starting program...
20:29:01 - simetuc : INFO Loading configuration...
20:29:01 - simetuc.settings : INFO Reading settings file (config_file.txt)...
20:29:02 - simetuc.settings : ERROR Error while parsing the config file: config_file.txt!
Traceback (most recent call last):
File "C:\Users\UCN-912\Anaconda3\lib\site-packages\simetuc\settings.py", line 830, in _load_yaml_file
file_dict = self._ordered_load(file, yaml.SafeLoader)
File "C:\Users\UCN-912\Anaconda3\lib\site-packages\simetuc\settings.py", line 884, in ordered_load
return yaml.load(stream, OrderedLoader)
File "C:\Users\UCN-912\Anaconda3\lib\site-packages\yaml_init.py", line 72, in load
return loader.get_single_data()
File "C:\Users\UCN-912\Anaconda3\lib\site-packages\yaml\constructor.py", line 35, in get_single_data
node = self.get_single_node()
File "C:\Users\UCN-912\Anaconda3\lib\site-packages\yaml\composer.py", line 36, in get_single_node
document = self.compose_document()
File "C:\Users\UCN-912\Anaconda3\lib\site-packages\yaml\composer.py", line 58, in compose_document
self.get_event()
File "C:\Users\UCN-912\Anaconda3\lib\site-packages\yaml\parser.py", line 118, in get_event
self.current_event = self.state()
File "C:\Users\UCN-912\Anaconda3\lib\site-packages\yaml\parser.py", line 193, in parse_document_end
token = self.peek_token()
File "C:\Users\UCN-912\Anaconda3\lib\site-packages\yaml\scanner.py", line 128, in peek_token
self.fetch_more_tokens()
File "C:\Users\UCN-912\Anaconda3\lib\site-packages\yaml\scanner.py", line 220, in fetch_more_tokens
return self.fetch_value()
File "C:\Users\UCN-912\Anaconda3\lib\site-packages\yaml\scanner.py", line 576, in fetch_value
self.get_mark())
yaml.scanner.ScannerError: mapping values are not allowed here
in "config_file.txt", line 563, column 24
20:29:02 - simetuc.settings : ERROR in "config_file.txt", line 563, column 24
20:29:02 - simetuc.settings : ERROR mapping values are not allowed here
20:29:02 - simetuc.settings : ERROR Please correct data and retry.
Traceback (most recent call last):
File "C:\Users\UCN-912\Anaconda3\lib\site-packages\simetuc\settings.py", line 830, in _load_yaml_file
file_dict = self._ordered_load(file, yaml.SafeLoader)
File "C:\Users\UCN-912\Anaconda3\lib\site-packages\simetuc\settings.py", line 884, in ordered_load
return yaml.load(stream, OrderedLoader)
File "C:\Users\UCN-912\Anaconda3\lib\site-packages\yaml_init.py", line 72, in load
return loader.get_single_data()
File "C:\Users\UCN-912\Anaconda3\lib\site-packages\yaml\constructor.py", line 35, in get_single_data
node = self.get_single_node()
File "C:\Users\UCN-912\Anaconda3\lib\site-packages\yaml\composer.py", line 36, in get_single_node
document = self.compose_document()
File "C:\Users\UCN-912\Anaconda3\lib\site-packages\yaml\composer.py", line 58, in compose_document
self.get_event()
File "C:\Users\UCN-912\Anaconda3\lib\site-packages\yaml\parser.py", line 118, in get_event
self.current_event = self.state()
File "C:\Users\UCN-912\Anaconda3\lib\site-packages\yaml\parser.py", line 193, in parse_document_end
token = self.peek_token()
File "C:\Users\UCN-912\Anaconda3\lib\site-packages\yaml\scanner.py", line 128, in peek_token
self.fetch_more_tokens()
File "C:\Users\UCN-912\Anaconda3\lib\site-packages\yaml\scanner.py", line 220, in fetch_more_tokens
return self.fetch_value()
File "C:\Users\UCN-912\Anaconda3\lib\site-packages\yaml\scanner.py", line 576, in fetch_value
self.get_mark())
yaml.scanner.ScannerError: mapping values are not allowed here
in "config_file.txt", line 563, column 24

The above exception was the direct cause of the following exception:

Traceback (most recent call last):
File "C:\Users\UCN-912\Anaconda3\Scripts\simetuc-script.py", line 5, in
sys.exit(simetuc.commandline.main())
File "C:\Users\UCN-912\Anaconda3\lib\site-packages\simetuc\commandline.py", line 161, in main
cte = settings.load(args.filename)
File "C:\Users\UCN-912\Anaconda3\lib\site-packages\simetuc\settings.py", line 1131, in load
settings.load(filename)
File "C:\Users\UCN-912\Anaconda3\lib\site-packages\simetuc\settings.py", line 705, in load
config_cte = loader.load_settings_file(filename)
File "C:\Users\UCN-912\Anaconda3\lib\site-packages\simetuc\settings.py", line 807, in load_settings_file
self.file_dict = self._load_yaml_file(filename, direct_file)
File "C:\Users\UCN-912\Anaconda3\lib\site-packages\simetuc\settings.py", line 850, in _load_yaml_file
'the config file ({})!'.format(filename)) from exc
simetuc.settings.ConfigError: Something went wrong while parsing the config file (config_file.txt)!

Could you take a look at the issue? Thanks again,

Best,

Shawn

[pedvide]

Hello Shawn,

It seems the link I posted doesn't actually link to the right file. It seems the file is empty actually!
I think this link should work https://raw.githubusercontent.com/pedvide/simetuc/master/simetuc/config_file.cfg

Could you try with that one?

[wodebc]

Hi Pedro,

I have tried the configure file you just gave. The extension of the confi_file was changed to txt before running the command. But unfortunately, the error still existed:

(base) C:\Users\UCN-912>cd test
(base) C:\Users\UCN-912\test>simetuc config_file.txt -v -l
21:47:46 - simetuc : INFO Starting program...
21:47:46 - simetuc : INFO Loading configuration...
21:47:46 - simetuc.settings : INFO Reading settings file (config_file.txt)...
21:47:46 - simetuc.settings : WARNING These sections should not be present in the file:
21:47:46 - simetuc.settings : WARNING {'energy_transfer'}
C:\Users\UCN-912\Anaconda3\lib\site-packages\simetuc\settings.py:954: ConfigWarning: Some values or sections should not be present in the file.
warnings.warn('Some values or sections should not be present in the file.', ConfigWarning)
21:47:46 - simetuc.settings : ERROR Incorrect branching ratio: EM_55
Traceback (most recent call last):
File "C:\Users\UCN-912\Anaconda3\lib\site-packages\simetuc\settings.py", line 982, in _get_state_index
index = list_labels.index(state_label)
ValueError: 'EM_55' is not in list
21:47:46 - simetuc.settings : ERROR 'EM_55' is not a valid state label
21:47:46 - simetuc.settings : ERROR Wrong labels in optimization: processes! 'EM_55' is not a valid state label
Traceback (most recent call last):
File "C:\Users\UCN-912\Anaconda3\lib\site-packages\simetuc\settings.py", line 982, in _get_state_index
index = list_labels.index(state_label)
ValueError: 'EM_55' is not in list

The above exception was the direct cause of the following exception:

Traceback (most recent call last):
File "C:\Users\UCN-912\Anaconda3\lib\site-packages\simetuc\settings.py", line 577, in _parse_optim_params
for process in set_other_params]
File "C:\Users\UCN-912\Anaconda3\lib\site-packages\simetuc\settings.py", line 577, in
for process in set_other_params]
File "C:\Users\UCN-912\Anaconda3\lib\site-packages\simetuc\settings.py", line 1016, in _get_branching_ratio_indices
process=process) for s in states_list)
File "C:\Users\UCN-912\Anaconda3\lib\site-packages\simetuc\settings.py", line 1016, in
process=process) for s in states_list)
File "C:\Users\UCN-912\Anaconda3\lib\site-packages\simetuc\settings.py", line 988, in _get_state_index
raise LabelError(msg) from err
simetuc.settings.LabelError: 'EM_55' is not a valid state label

The above exception was the direct cause of the following exception:

Traceback (most recent call last):
File "C:\Users\UCN-912\Anaconda3\Scripts\simetuc-script.py", line 5, in
sys.exit(simetuc.commandline.main())
File "C:\Users\UCN-912\Anaconda3\lib\site-packages\simetuc\commandline.py", line 161, in main
cte = settings.load(args.filename)
File "C:\Users\UCN-912\Anaconda3\lib\site-packages\simetuc\settings.py", line 1131, in load
settings.load(filename)
File "C:\Users\UCN-912\Anaconda3\lib\site-packages\simetuc\settings.py", line 764, in load
self.states, self.excitations)
File "C:\Users\UCN-912\Anaconda3\lib\site-packages\simetuc\settings.py", line 530, in _parse_optimization
dict_ET, dict_decay, dict_states)
File "C:\Users\UCN-912\Anaconda3\lib\site-packages\simetuc\settings.py", line 588, in _parse_optim_params
raise LabelError(msg) from err
simetuc.settings.LabelError: Wrong labels in optimization: processes! 'EM_55' is not a valid state label

[pedvide]

Hi Shawn,

That's odd, what version do you have installed.
Execute simetuc --version

The latest is 1.8.2. If yours is lower, execute pip install -U simetuc

[wodebc]

Hi Pedro,

You are right. The version I had before was 1.3.X. So I have updated the version using pip install command. However, after the update, when I check the new version, anther error popped up:

(base) C:\Users\UCN-912>simetuc --version
Traceback (most recent call last):
File "c:\users\ucn-912\anaconda3\lib\runpy.py", line 193, in _run_module_as_main
"main", mod_spec)
File "c:\users\ucn-912\anaconda3\lib\runpy.py", line 85, in run_code
exec(code, run_globals)
File "C:\Users\UCN-912\Anaconda3\Scripts\simetuc.exe_main.py", line 5, in
File "c:\users\ucn-912\anaconda3\lib\site-packages\simetuc\commandline.py", line 70
'''
^
SyntaxError: invalid syntax

Looks like I need to correct the syntaxerror in the py file?

Best,

Shawn

[pedvide]

What version of Python do you have installed? (python --version)
I know this works with 3.6. Either you have a lower version or there's something else wrong with your python installation. Please check that you have 3.6 and if not, update using conda install python=3.6 and then conda update --all.

[wodebc]

Hi Pedro,
Thanks so much for your help! I am using python 3.6. I guess something did go wrong with my installation. I am uninstalling all the packages and will reinstall them again. I will let you know how the things go.
Thanks again,
Best,
Shawn

[pedvide]

Hi,

I'm sorry you have to do all this! Usually the installation is quite easy, I don't know why it wouldn't work for you. Sometimes Windows is tricky and indeed reinstalling seems to be a good idea. I hope it works afterwards.

Please let me know if you have more issues.