Bug summary

NULL atom type can not be used with deepmd 3.1.0a0 pth

DeePMD-kit Version

v3.1.0a0

Backend and its version

v3.1.0a0

How did you download the software?

Offline packages

Input Files, Running Commands, Error Log, etc.

pair_style hybrid/scaled &
v_LAMBDA_i deepmd /public/home/fengw/Li_potential/LiFSI_8_EC_80_1:10/sol_li/02.workdir/iter-001/deepmd_ini/model-3/frozen_model.pth /public/home/fengw/Li_potential/LiFSI_8_EC_80_1:10/sol_li/02.workdir/iter-001/deepmd_ini/model-2/frozen_model.pth /public/home/fengw/Li_potential/LiFSI_8_EC_80_1:10/sol_li/02.workdir/iter-001/deepmd_ini/model-0/frozen_model.pth /public/home/fengw/Li_potential/LiFSI_8_EC_80_1:10/sol_li/02.workdir/iter-001/deepmd_ini/model-1/frozen_model.pth out_freq ${THERMO_FREQ} out_file model_devi_ini.out &
v_LAMBDA_f deepmd /public/home/fengw/Li_potential/LiFSI_8_EC_80_1:10/sol_li/02.workdir/iter-001/deepmd_fin/model-3/frozen_model.pth &
v_LAMBDA_f lj/cut 6.000

pair_coeff * * deepmd 1 O H N S C F Li Li
pair_coeff * * deepmd 2 O H N S C F Li NULL
pair_coeff * * lj/cut 0.0 1.0 0.0
pair_coeff * 8 lj/cut 0.0069 2.3370 6.0

Neighbor list info ...
update: every = 1 steps, delay = 0 steps, check = yes
max neighbors/atom: 2000, page size: 100000
master list distance cutoff = 7
ghost atom cutoff = 7
binsize = 3.5, bins = 7 7 7
3 neighbor lists, perpetual/occasional/extra = 3 0 0
(1) pair deepmd, perpetual
attributes: full, newton on
pair build: full/bin/atomonly
stencil: full/bin/3d
bin: standard
(2) pair deepmd, perpetual, copy from (1)
attributes: full, newton on
pair build: copy
stencil: none
bin: none
(3) pair lj/cut, perpetual, half/full from (1)
attributes: half, newton on
pair build: halffull/newton/tri
stencil: none
bin: none
Setting up Verlet run ...
Unit style : metal
Current step : 0
Time step : 0.0005
double free or corruption (!prev)
/public/SLURM/spool/d/job829571/slurm_script: 行 20: 3205933 Aborted (核心已转储)lmp_mpi -i lammps.in -v restart 0

Steps to Reproduce

the command
pair_coeff * * deepmd 2 O H N S C F Li NULL
failed

Further Information, Files, and Links

No response