QuantumATK Forum
QuantumATK => General Questions and Answers => Topic started by: sergio on March 14, 2013, 15:16
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Hi,
During a Device calculation using atk 11.2.3, I have encountered the following error:
Traceback (most recent call last):
File "./zipdir/NL/Calculators/BulkCalculatorInterface.py", line 183, in _update
File "./zipdir/NL/Calculators/LCAOCalculator/LCAOCalculator.py", line 1019, in scfLoop
File "./zipdir/NL/Calculators/LCAOCalculator/LCAOCalculator.py", line 733, in scfLoopHamiltonian
File "./zipdir/NL/Calculators/GenericParameters/CheckpointHandler.py", line 127, in _storeIfNecessary
File "./zipdir/NL/CommonConcepts/Configurations/DeviceConfiguration.py", line 570, in _nlsave
File "./zipdir/NL/Calculators/HuckelCalculator/ExtractState.py", line 48, in extractElectrodeState
File "./zipdir/NLEngine.py", line 851, in <lambda>
File "./zipdir/NLEngine.py", line 64, in _swig_getattr
AttributeError: electrodeDensityMatrixCalculator
/home/QuantumWise/atk-11.2.3/atkpython/bin/atkpython: line 3: 10516 Segmentation fault PSEUDOPOTENTIALS_PATH=$EXEC_DIR/../share/pseudopotentials GPAW_SETUP_PATH=$EXEC_DIR/../share/gpaw-setups/ PYTHONHOME=$EXEC_DIR/.. PYTHONPATH= LD_LIBRARY_PATH=$EXEC_DIR/../lib $EXEC_DIR/atkpython_exec $*
Could you please explain the reason of this error?
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Old ATK version, so support is very limited. At least we can look quickly at the input file but the error is uncommon, so I have no immediate idea. Would help to see complete output too, at least at the end so it's clear where the error occurs.