QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: Lim changmin on February 20, 2025, 05:38

Title: MTP force-field license problem and colum key duplicate error
Post by: Lim changmin on February 20, 2025, 05:38
Hello, I am trying to calculate GeTe MTP first based on the question in " https://forum.quantumatk.com/index.php?topic=12445.msg42955#new "

At first, the MTP training worked well, but after a few hours the error occurred
License Error: Unable to obtain a required license for the
requested license feature. It could mean there are no valid
licenses left, a problem with the connection to the license
server, or the license file does not contain the requested feature.
See below for more details.

Licensed number of users already reached.
Feature:       qatk_forcefield
License path:  [email protected]:
FlexNet Licensing error:-4,234

And I tried to recalculate it again and the other error occurred.

node01
Thu Feb 20 11:26:21 KST 2025
Traceback (most recent call last):
  File "/home/synopsys/quantumatk/W-2024.09/bin/../atkpython/bin/atkpython", line 8, in <module>
Traceback (most recent call last):
  File "/home/synopsys/quantumatk/W-2024.09/bin/../atkpython/bin/atkpython", line 8, in <module>
    sys.exit(__run_atkpython())
    sys.exit(__run_atkpython())
             ^^^^^^^^^^^^^^^^^
  File "zipdir/ATKExecutables/atkwrappers/__init__.py", line 803, in __run_atkpython
             ^^^^^^^^^^^^^^^^^
  File "zipdir/ATKExecutables/atkwrappers/__init__.py", line 803, in __run_atkpython
  File "gete_mtp.py", line 338, in <module>
  File "gete_mtp.py", line 338, in <module>
    training__set__table.addInstanceColumn(key='training_set', types=TrainingSet)
  File "zipdir/NL/ComputerScienceUtilities/Table/Columns.py", line 2269, in addInstanceColumn
    training__set__table.addInstanceColumn(key='training_set', types=TrainingSet)
  File "zipdir/NL/ComputerScienceUtilities/Table/Columns.py", line 2269, in addInstanceColumn
  File "zipdir/NL/ComputerScienceUtilities/Table/Columns.py", line 2301, in addColumn
NL.ComputerScienceUtilities.Exceptions.NLValueError: The column key, training_set, is already used in the table. Duplicate keys are not allowed.
  File "zipdir/NL/ComputerScienceUtilities/Table/Columns.py", line 2301, in addColumn
NL.ComputerScienceUtilities.Exceptions.NLValueError: The column key, training_set, is already used in the table. Duplicate keys are not allowed.
Traceback (most recent call last):
  File "/home/synopsys/quantumatk/W-2024.09/bin/../atkpython/bin/atkpython", line 8, in <module>
Abort(1) on node 3 (rank 3 in comm 0): application called MPI_Abort(MPI_COMM_WORLD, 1) - process 3
Abort(1) on node 12 (rank 12 in comm 0): application called MPI_Abort(MPI_COMM_WORLD, 1) - process 12
    sys.exit(__run_atkpython())
             ^^^^^^^^^^^^^^^^^
  File "zipdir/ATKExecutables/atkwrappers/__init__.py", line 803, in __run_atkpython

I tried to find some answers to this "Duplicate keys are not allowed" error from atk forum but I couldn't find any.

Can anyone help me with this issue?

I attached the py file that I used bellow.

Thank you