Weekly Progress of DP-GEN 20220718

[HuangJiameng]

What's new

DP-GEN v0.10.6 release

Highlights

• add DPRc implementation by @njzjz in #729
• upgrade all tasks to dpdispatcher by @njzjz in #749 , #755
• fix a bug in make_abacus_scf_input by @Liu-RX in #754
• fix bug for sys_idx dependent trust level and add option for model_devi_job by @Cloudac7 in #786
• add many docs and examples by @njzjz and @LiangWenshuo1118 , see https://docs.deepmodeling.com/projects/dpgen/en/latest/index.html
• Check out https://github.com/deepmodeling/dpgen/releases/tag/v0.10.6 to learn more about DP-GEN v0.10.6.

Issues

#797 Remember to restart from the latest make_train step to generate correct symlink data.init if you move the data set to a new directory.

graph.00[0-3].pb is generate by dpgen, while data.init is set according to PARAM. They are not generated in the same way. If dpgen files are copied to another location, it's supposed to be restart from the latest make_train step, where data.init is generated.

Discussions

#790 How to install the latest version dpgen and deepmd-kit off-line?

In the latest version DP-GEN v0.10.6, the offline package is provided.Here is the link.
https://github.com/deepmodeling/dpgen/releases/download/v0.10.6/dpgen-0.10.6-Linux-x86_64.sh

#793 RuntimeError: find too many unsuccessfully terminated jobs.

If you get RuntimeError("find too many unsuccessfully terminated jobs. Too many FP tasks are not converged. Please check your input parameters (e.g. INCAR) or configuration (e.g. POSCAR) in directories 'iter../02.fp/task../.'"), you'd better check your input files.

#802 RuntimeError: Meet errors will handle unexpected submission state.

When you meet this error, you are advised to check log files in your path. (/share/home/xlzou/WORKSPACE/zjl9/DPGEN/work in this example.)

Dependency

Dpdata#328 IndexError for version 0.2.7

deepmodeling/dpdata#328
An IndexError has been fixed in devel branch.