Got some problems of using different versions of ATK.
I use both desktop and server to do calculation.
The atk installed on my desktop is 12.8 and 13.8 and the atk on the server is 12.2,12.8 and 13.8.
Usually I use command "atkpython *** " to set up calculation on server.
However, the server will defaultly use 12.2 atkpython to calculate which causes some problem.
I used my desktop to calculate Dos and Transmission Spectra with atk 12.8.
Then I want to use the calculated .nc file to calculate the IV curve.
It seems atk 12.2 can not read the 12.8 nc file properly.
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First error message:
I use command "atkpython **.py" to setup calculation, the server returns the error message
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psTraceback (most recent call last):
File "EH-IV-setup.py", line 2, in <module>
device_configuration = nlread("/storage2/beta/users/lmj/ATK/EH-DosTs.nc",DeviceConfiguration)[0]
File "./zipdir/NL/IO/NLSaveUtilities.py", line 256, in nlread
NL.ComputerScienceUtilities.Exceptions.NLValueError: This version has no support for reading netcdf files from ATK 12.8.0
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So I try the method to read and rewrite the nc file by atk 12.2
objects = nlread("EH-DosTs.nc")
for x in objects:
nlsave("EH-DosTs(new).nc", x)
It turns out the ATK 12.2 can't read the nc file created by 12.8
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Traceback (most recent call last):
File "SavenewNC.py", line 1, in <module>
objects = nlread("EH-DosTs.nc")
File "./zipdir/NL/IO/NLSaveUtilities.py", line 256, in nlread
NL.ComputerScienceUtilities.Exceptions.NLValueError: This version has no support for reading netcdf files from ATK 12.8.0
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So I use the 12.8 "atkpython" to execute the calculation by "/usr/local/QuantumWise/atk-12.8.2/atkpython/bin/atkpython **.py"
However, it still returns some problems after calculate for sometimes(error returns in about 0.5hr~1hr after calculation started)
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/usr/local/QuantumWise/atk-12.8.2/atkpython/bin/atkpython: line 7: 73174 Segmentation fault (core dumped) $EXEC_DIR/atkpython_exec $*
[1] Exit 139
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How should I fix the problem?
If you need the future information, let me know.
