Manyi-Yang

Large energy and force Errors when using Atom type embedding (test for deepmd-2.0beta)

2

### >Summary The energy and force Errors for training using Atom type embedding are large. ### >Deepmd-kit version input.json lcurve.out 2.0.0.b0, conda ### >input.json ```json { "model": { "type_map": [...

The model of lmp does not support `"fmt" : "deepmd/npy/mixed"`, ``` "convergence": { "type": "adaptive-lower", "conv_tolerance": 0.00, "numb_candi_f": 10, "_rate_candi_f": 0, "level_f_hi": 0.5, "n_checked_steps": 8, "_command": "all" }, "max_numb_iter" :...

[BUG] DPA-2 Training is super slow because of “DEEPMD WARNING Data loading buffer is empty or nearly empty“

2

### Bug summary When run DPA-2 (dp_tf) train calculation with Deepkit-V3.0.0a0, we always got following WARNINGS: > [2024-07-05 10:59:59,135] DEEPMD INFO batch 20000: trn: rmse = 9.27e+00, rmse_e = 5.18e-02,...