I am Aminata DIALLO, student in Master 2 Computer Science at the University of Pars Saclay in France. I am currently doing an internship on the management of data from material calculation trajectories. I wish to execute locally on my computer the parser and the normalizer of Nomad.
On the other hand, I have some difficulties:
-I am trying to do parsing of a cp2k output file, when I do it in command line, I get the output of json format which I find not complete but at the beginning I get an error like this :
ERROR nomad.cli 2021-06-24T09:01:22 Parsing was not successful.
- exception: Traceback (most recent call):
File “/home/lambe/my_env/lib/python3.6/site-packages/nomad/cli/parse.py”, line 65, in parse
FileNotFoundError: [Errno 2] No file or directory of this type: ‘/home/lambe/150k’.
- exception_hash: WZU6aJ0izcIzts40ole7p2o_tmtE
- nomad.cli.parser : parsers/cp2k
- nomad.commit : 59baef14
- nomad.deployment : standard
- nomad.release : devel
- nomad.service : cli
- nomad.version : 0.10.4
-I want to use the Nomad parser and normalize it through a python program but I can’t access the nomad.cli.parser modul at the beginning of my program.
Can you please give me some explanations to my concerns.