dpgen's fp process stucked

[theAfish]

Hi all,

I am using vasp on a server to doing the fp part of dpgen. However, the vasp job was stuck and cannot enter the SCF process.

Meanwhile, if I use my own script with the auto-generated input files by dpgen, the calculation goes well. Here is my script:

I have also changed the pbs.py of dpdispatcher, but it still does not work. the front part of auto-generated xxx.sub file of adjusted dpgen is:

Could someone explain what's happening? Thank you very much

[AnguseZhang]

It seems that there is some mismatching between your cluster and the scripts dpdispatcher generates.
I think your direction is correct. Just compare the scripts carefully and see which command is invalid. If you have questions about any command, we can help to explain.

[theAfish]

Thank you very much! I was wondering if there was a part of this script that would jam the calculation process. However, I don't think the script itself should have any impact on the calculation. Still not work

[theAfish]

I found that the script works well if I only allow one job to be calculated at a time. So this could be something strange in my parallel setups. (However, if I submit multiple tasks manually with my own script, it doesn't cause any problems)