Fail to generate initial structures.

[tianshuliu86]

Summary

Hi, I would like to report an error that occurred while generating initial structures.

DP-GEN Version

0.12.1

Platform, Python Version, etc

Python Version: 3.10
Platform: Ubuntu
DP-GEN is installed locally, deepmd-kit, LAMMPS and VASP are installed on HPC

Details

When I try to generate initial structures using the following command:

nohup dpgen init_bulk param.json machine.json > 111.out &

I always get the following error message:

"Primary job terminated normally, but 1 process returned a non-zero exit code. Per user direction, the job has been aborted."

You could find more information about the error in out.txt and fp.log.

out.txt
fp.log

And you could also check if there are any mistakes in machine.json.

machine.json

(Sensitive information like account name and password are partly replaced by *)

[njzjz]

It seems that VASP did report an "I/O syntax error"? The error message in DP-GEN is not wrong.