QuantumATK Forum
QuantumATK => Scripts, Tutorials and Applications => Topic started by: Sarvesh Agarwal on July 17, 2012, 15:10
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hi,
I have attached two files here:
1.Checkpoint.py (in this i can successfully save temporary .nc file in specified folder and at a given time)
Problem with this script:
a)as i have defined checkpoint file (ben.nc)for electrode calculation and (ben2.nc) for device calculation,however, the file is getting saved as ben2.nc only i.e for both electrode and device. Also,
ben2.nc is getting deleted after electrode calculation is finished and with the start of device calculation it is again saving temporary files as (ben2.nc). I want electrode calculated nc file and device calculated nc files separately. So that I can restart simulation from middle.
2.benzene_I_V2_resart.py( I want to restart it, using ben2.nc file, however, getting error as shown in third attachment.)
Problem:
a)Can I restart from any point.
3. Screenshot.png(error file)
Plz correct the coding if possible.