Open MingjieWen opened 1 month ago
Could you provide an example for reproducing?
Hello, jinzhe. I added zbl potential in the DPGEN process. The DPGEN file is too large. Is there any additional solution? I can manually submit the calculation file of the model training stage. I have built the input, but I don’t know how to submit this type of task. The sub and sub.run files are as follows 001.zip
There are 4 types so the tabulate file should contain $\binom{2}{4} + 4 =10$ columns.
I added zbl potential in the DPGEN process.
Do you face this problem only with DP-GEN or also without DP-GEN?
Yes, only with DP-GEN, there should be 4 folders. I am trying to submit each file separately and use manual method in train 01 stage, I wonder if it is feasible
Yes, only with DP-GEN
I transfer this issue to DP-GEN. Could you provide more information about DP-GEN?
I added zbl potential in the DPGEN process. The DPGEN file is too large. Is there any additional solution? I can manually submit the calculation file of the model training stage. I have built the input, but I don’t know how to submit this type of task. The sub and sub.run files are as follows
Which version of DP-GEN was used?
Summary
I recently encountered a problem when using DeepMD-kit. When I tried to add the ZBL item in run_param.json, I encountered the problem that CNtable.txt could not be found. I made sure that this file existed in the corresponding location. I would like to ask how to solve this problem and whether I need to modify other places(such as mechine.json)?
DeePMD-kit Version
v2.1.5
Backend and its version
python3.10
Python Version, CUDA Version, GCC Version, LAMMPS Version, etc
No response
Details