Issue with PLUMED in DPGEN procedure about dpgen HOT 7 CLOSED

1. Enter directory /home/zpou/dpgen_work/aa51e6f4-efb8-410a-95f4-7162524155ce/task.000.000001/, and you will find running script xxx.sub and log file xxx.log. Check whether your jobs have finished successfully.

2. You're suggested use latest version of DP-GEN (currently 0.9.2).

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The dpgen_work file is uploaded, no files named xxx.sub or xxx.log in the task.000.000001/. Anyway,there are no "dump.0.xzy" file in the other folder like"task.000.000004" though i found that it should generate file named 'dump.0.xzy' if plumed work.
dpgen_work file.zip

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File with name "dump.0.xyz" is required explicitly as backward_file in the coding. So to have the code through, you have to add a line: "DUMPATOMS FILE=dump.0.xyz ATOMS=@matoms" in input.plumed, where @matoms means all the physical atoms present in the MD engine.

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I suspect this might not be a proper specification at all. And like you said, the HILLS and COLVAR files are not stored after model_deviation. I guess this need to be modified as well.

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And I suggest not to start with plumed. Run the good old NPT-MD for a while, until max_f_devi is low enough, then continue with plumed. This way it's likely that your training will converge faster.

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This issue is solved. I've closed this issue. If there is still any problem, you can reopen this issue or create a new issue.

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Note: fixed by #498.

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