Wanrun Jiang
Wanrun Jiang
supp: An ideal implementation attempts to assign as large as possible part of (financial/temporal) cost into fp labeling, which part is the actual cost to produce data. However, the cost...
might be a element-type-dependent problem of pymatgen, has communicated with HuangJiameng, closed here.
A workaround was attempted without further hacking the code, by manually pausing then continuing the workflow, and replacing input files in corresponding folder. Best wishes to your endeavor~
BTW, due to some compatibility limitation, I'm using this branch https://github.com/zjgemi/dpgen2/tree/deepmd-pytorch from and thanks to @zjgemi