Show Posts

This section allows you to view all posts made by this member. Note that you can only see posts made in areas you currently have access to.


Topics - sabyaphy12@gmail.com

Pages: [1]
1
getting following error while try to run through job manager

Traceback (most recent call last):
  File "zipdir\NL\GUI\Menus\SendToMenu.py", line 233, in showWindow
  File "zipdir\NL\GUI\MainWindow\MainWindow.py", line 1011, in jobManager
  File "zipdir\NL\GUI\MainWindow\MainWindow.py", line 1026, in jobManagerReference
  File "zipdir\NL\GUI\MainWindow\MainWindow.py", line 1043, in singletonTool
  File "zipdir\NL\GUI\Tools\JobManager\JobManager.py", line 271, in __init__
  File "zipdir\NL\GUI\Tools\JobManager\JobManager.py", line 421, in loadSettings
  File "zipdir\NL\GUI\Tools\JobManager\JobManager.py", line 390, in settings
IndexError: list index out of range

2
+------------------------------------------------------------------------------+
Traceback (most recent call last):
  File "/home/software/mn-porphyrine/fe2-mn2-fm-thermo1.py", line 618, in <module>
    device_configuration.setCalculator(calculator)
  File "zipdir/NL/CommonConcepts/Configurations/DeviceConfiguration.py", line 1310, in setCalculator
  File "zipdir/NL/Calculators/Interfaces/DeviceCalculatorInterface.py", line 116, in _upgrade
  File "zipdir/NL/Calculators/Interfaces/DeviceCalculatorInterface.py", line 217, in _checkElectrodeKpointSampling
NL.ComputerScienceUtilities.Exceptions.NLValueError: The k-point sampling of the electrode 0 does not match the sampling of the central region.
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 3
~
~
~
~
~
"fe2-mn2-fm-thermo.log" 35L, 2262C         k

3
+------------------------------------------------------------------------------+
|                                                                              |
| QuantumATK P-2019.03-SP1[Build 3dc0d78]                                      |
|                                                                              |
+------------------------------------------------------------------------------+
Traceback (most recent call last):
  File "seebeck_coefficient2.py", line 120, in <module>
    transmission_spectrum = nlread(hdf5, TransmissionSpectrum)[-1]
  File "zipdir/NL/IO/NLSaveUtilities.py", line 853, in nlread
  File "zipdir/NL/IO/HDF5.py", line 544, in readHDF5
  File "zipdir/NL/IO/HDF5.py", line 623, in readHDF5Group
  File "zipdir/NL/IO/HDF5.py", line 584, in readHDF5Dict
  File "zipdir/NL/IO/HDF5.py", line 656, in readHDF5Group
  File "zipdir/NL/IO/HDF5.py", line 584, in readHDF5Dict
  File "zipdir/NL/IO/HDF5.py", line 623, in readHDF5Group
  File "zipdir/NL/IO/HDF5.py", line 584, in readHDF5Dict
  File "zipdir/NL/IO/HDF5.py", line 659, in readHDF5Group
  File "zipdir/NL/IO/HDF5.py", line 659, in <genexpr>
  File "zipdir/NL/IO/HDF5.py", line 644, in readHDF5Group
  File "zipdir/NL/IO/Serializable.py", line 324, in _fromVersionedData
NL.ComputerScienceUtilities.Exceptions.NLIOError: The data of class AtomicConfiguration has been stored on disk with a newer version of ATK. The serialization version of class AtomicConfiguration is 3, but your ATK version only supports the serialization versions up to 2.

During handling of the above exception, another exception occurred:

Traceback (most recent call last):
  File "seebeck_coefficient2.py", line 122, in <module>
    raise IOError('The specified hdf5 file does not exist, or does not contain a transmission spectrum.')
OSError: The specified hdf5 file does not exist, or does not contain a transmission spectrum.

Timing:                          Total     Per Step        %

--------------------------------------------------------------------------------

4
While giving thermoelectic property calculation run following error is showing, kindly help 

+------------------------------------------------------------------------------+
|                                                                              |
| QuantumATK P-2019.03-SP1[Build 3dc0d78]                                      |
|                                                                              |
+------------------------------------------------------------------------------+
Traceback (most recent call last):
  File "seebeck_coefficient1.py", line 120, in <module>
    transmission_spectrum = nlread(nc, TransmissionSpectrum)[-1]
  File "zipdir/NL/IO/NLSaveUtilities.py", line 853, in nlread
  File "zipdir/NL/IO/HDF5.py", line 544, in readHDF5
  File "zipdir/NL/IO/HDF5.py", line 623, in readHDF5Group
  File "zipdir/NL/IO/HDF5.py", line 584, in readHDF5Dict
  File "zipdir/NL/IO/HDF5.py", line 656, in readHDF5Group
  File "zipdir/NL/IO/HDF5.py", line 584, in readHDF5Dict
  File "zipdir/NL/IO/HDF5.py", line 623, in readHDF5Group
  File "zipdir/NL/IO/HDF5.py", line 584, in readHDF5Dict
  File "zipdir/NL/IO/HDF5.py", line 659, in readHDF5Group
  File "zipdir/NL/IO/HDF5.py", line 659, in <genexpr>
  File "zipdir/NL/IO/HDF5.py", line 644, in readHDF5Group
  File "zipdir/NL/IO/Serializable.py", line 324, in _fromVersionedData
NL.ComputerScienceUtilities.Exceptions.NLIOError: The data of class AtomicConfiguration has been stored on disk with a newer version of ATK. The serialization version of class AtomicConfiguration is 3, but your ATK version only supports the serialization versions up to 2.

During handling of the above exception, another exception occurred:

Traceback (most recent call last):
  File "seebeck_coefficient1.py", line 122, in <module>
    raise IOError('The specified NC file does not exist, or does not contain a transmission spectrum.')
OSError: The specified NC file does not exist, or does not contain a transmission spectrum.

Timing:                          Total     Per Step        %

5
I am continuously getting following as in spin dependent Seebeck coefficient calculation in my  QuantumATK2019.12.  You can see spin polarized data is not obtained. Same script worked without any error in QuantumATK2019.03.  I attach related input file. Kindly help at the earliest.

software@dpscluster g-C4N3-graphene]$ +------------------------------------------------------------------------------+
|                                                                              |
| QuantumATK Q-2019.12[Build 980d1ca]                                          |
|                                                                              |
+------------------------------------------------------------------------------+
Temperature is set to 300.0 K
spin=%i : Chemical potential  = %+.3e eV 1 0.0
         Seebeck coefficient = %+.3e V/K 0.002140728712747184
         Conductance         = %+.3e S 8.300763583353089e-16
         Transmission        = %+.3e  2.14266011842e-11 e**2/hplanck
Traceback (most recent call last):
  File "seebeck_coefficient1.py", line 132, in <module>
    print('         Thermal conductance = %+.3e J/(s*m*K)', S[3].inUnitsOf(Joule/(Second*Meter*Kelvin)))
IndexError: list index out of range

Timing:                          Total     Per Step        %

--------------------------------------------------------------------------------

Loading Modules + MPI   :       2.65 s       2.65 s      72.60% |=============|
--------------------------------------------------------------------------------

6
Please share Script for spin dependent sebeck coefficient calculations

7
I am facing following problems in the  QuantumATK2019.12 ,
i) Could not select files in Classic mode
ii)hdf5 files are not opening in normal mode also. When tried to open through scripter got a message of 'python file error'
Please suggest what to do?

8
please guide how to solve the attached error in phono transmission calculation during a thermoelectric run


Pages: [1]