Troubleshooting
The most common problem is whether two settings correspond with each other, including:
The order of elements in
type_map
andmass_map
andfp_pp_files
.Size of
init_data_sys
andinit_batch_size
.Size of
sys_configs
andsys_batch_size
.Size of
sel_a
and actual types of atoms in your system.Index of
sys_configs
andsys_idx
.
Please verify the directories of
sys_configs
. If there isn’t any POSCAR for01.model_devi
in one iteration, it may happen that you write the false path ofsys_configs
.Correct format of JSON file.
The frames of one system should be larger than
batch_size
andnumb_test
indefault_training_param
. It happens that one iteration adds only a few structures and causes error in next iteration’s training. In this condition, you may letfp_task_min
be larger thannumb_test
.