[BUG] some problems about dpgen

[Cynthia-0807]

Summary

1. When I use dpgen to dispatch tasks, tasks in each iteration must be killed manually,then I found that the problem is the result of #!/bin/bash -l in the header of the submitted jobs.I don't know why it is written.It means the file ~/.bashrc and/etc/profile are read.

2.dpgen dispatches DP-Gromacs

1).If I want to dispatch the romote server to run DP-Gromacs from localhost, entry graph_file in the file input.json corresponds to the address of the localhost. This line of code in the filerun.pymay need to be modified:

2). When constracting the system traj_deepmd in the DP/MM, the system hasn't the file nopbc,the value max_devi_f is larger. Moreover, if I run pure DP in the Gromacs( my system is nopbc), when entry pbc in the file input.json is false, the temperature is not stable, true is the opposite.Why? DPGEN Version and Platform

0.10.6

Job submission and computing cluster configuration

Expected Behavior

Actual Behavior

Steps to Reproduce

Further Information, Files, and Links

[HuangJiameng]

@Cynthia0807-learn I have heard that you have solved these problems. Could you make a pull requests to fix them? Thx!