Require help

[GHULAM ABBAS]

 Dear Calypso Developers,

I hope this email finds you well. I am trying to run example-26 of calypso's latest version. Based on manual documentation we can run the last structure prediction assisted by my MLP using python cgg2.py. I have the following queries

1. This Python  does not support the python 3.0 version even fixing the suggested errors. It shows more bugs, but nicely works with the python 2.7 version.  After job submission,       it shows an error there is no INCAR Files and grep OUTCAR etc.

 

 2. Do we need VASP path to submit jobs using cgg2.py script. Based on the documentation, we need only gap parameters, and input. data, and cgg2.py 

 

3. How I can submit jobs in parallel for structure prediction assisted by MLP? 

3. Will the last step run only with calypso.x using machine learning potential?

python ccg2.py > calypso.log & 

4. Do we need INCAR_1*  and vasp as an interface? 

I will be very thankful to you if you can help me to fix this problem. 

Thanks,

Regards

Abbas