Dear Sir,
I hope this email finds you well. I am Ghulam Abbas from Korea University. I am using Calypso. Currently. I am using the latest version of calypso 7.0, particularly machine learning potential,
When I want to submit my job for structure prediction by MLP, I used cgg2.py file after successfully producing input.dat and gap_parameters. I have some confusion, after job submission, it exhibits an error there is no INCAR_1, submit.sh, and grep ./OUTCAR files.
I want to submit these jobs in parallel. Please let me know if you have any solutions or suggestions. I am using the PBS system. Already, I have prepared vasp.pb script which is running successfully to submit parallel jobs. But I require help to submit parallel jobs for MLP.
Thanks,
Regards,
Abbas