I have some scripts which I have written in VNL -GUI 2016, but while running them in ATK 2015.1 we get the error
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| Atomistix ToolKit 2015.1 [Build 5b36b25] |
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Traceback (most recent call last):
File "/root/Desktop/analysis.py", line 127, in <module>
k_point_sampling=k_point_sampling,
File "./zipdir/NL/Calculators/GenericParameters/NumericalAccuracyParameters.py", line 99, in __init__
File "./zipdir/NL/Calculators/GenericParameters/NumericalAccuracyParameters.py", line 276, in setAndCheckKPointSampling
NL.ComputerScienceUtilities.Exceptions.NLValueError: The parameter k_point_sampling, must be a sequence of three positive integers - e.g. (3,2,7)
Traceback (most recent call last):
File "/root/Desktop/analysis.py", line 127, in <module>
k_point_sampling=k_point_sampling,
File "./zipdir/NL/Calculators/GenericParameters/NumericalAccuracyParameters.py", line 99, in __init__
File "./zipdir/NL/Calculators/GenericParameters/NumericalAccuracyParameters.py", line 276, in setAndCheckKPointSampling
NL.ComputerScienceUtilities.Exceptions.NLValueError: The parameter k_point_sampling, must be a sequence of three positive integers - e.g. (3,2,7)
Timing: Total Per Step %
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Loading Modules + MPI : 4.84 s 4.84 s 93.95% |=============|
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Total : 5.15 s
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= BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
= PID 6515 RUNNING AT localhost.localdomain
= EXIT CODE: 1
= CLEANING UP REMAINING PROCESSES
= YOU CAN IGNORE THE BELOW CLEANUP MESSAGES
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