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Environment: dpgen 0.10.5 + deepmd-kit 2.1.1 I used gaussian labeling and use_clusters item in my dpgen input files. Problems occured when conducting the fp calculations. In the labling directory, the input and output files are all generated, but output file terminated unormally, ending with:
However, my input calculation is Normally termainated when manually calling Gaussian program, as the input file contains the "Route Card", such as this:
Thus, the output error for dpgen labeling process. I don't know how can I solve this problem. run.json:
machine.json:
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You may set |
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You may set
g16 < input
as the command instead.