Unrecognized pair style 'deepmd' (src/force.cpp:279)

[chenfan22]

Dear All,

I got the following error message from the log file when I tried to run the step2 example code for CH4 ( dpgen run param.json machine.json > log.out 2>&1 ):

The log.lammp file from that folder shows an error message:
ERROR: Unrecognized pair style 'deepmd' (src/force.cpp:279)
Last command: pair_style deepmd ../graph.000.pb ../graph.003.pb ../graph.002.pb ../graph.001.pb out_freq ${THERMO_FREQ} out_file model_devi.out

dpgen.log file is shown belowed:

The version of deepmd-kit is 2.1.5 which was installed using "conda create -n deepmd deepmd-kit=*=cpu libdeepmd==*cpu lammps -c https://conda.deepmodeling.com -c defaults".

I also check lmp -h (lmp is under ~/miniconda3/envs/deepmd/bin/lmp):

• Pair styles:

adp agni airebo airebo/morse atm
beck body/nparticle body/rounded/polygon
body/rounded/polyhedron bop born born/coul/dsf
born/coul/dsf/cs born/coul/long born/coul/long/cs
born/coul/msm born/coul/wolf born/coul/wolf/cs brownian
brownian/poly buck buck/coul/cut buck/coul/long
buck/coul/long/cs buck/coul/msm buck/long/coul/long
buck/mdf colloid comb comb3 cosine/squared
coul/cut coul/cut/global coul/cut/soft coul/debye coul/diel
coul/dsf coul/exclude coul/long coul/long/cs coul/long/soft
coul/msm coul/slater/cut coul/slater/long coul/streitz
coul/wolf coul/wolf/cs reax dsmc e3b
eam eam/alloy eam/alloy/opt eam/cd eam/cd/old
eam/fs eam/fs/opt eam/he eam/opt edip
edip/multi eim extep gauss gauss/cut
gayberne gran/hertz/history gran/hooke
gran/hooke/history granular gw gw/zbl
harmonic/cut hbond/dreiding/lj hbond/dreiding/morse
hybrid hybrid/overlay hybrid/scaled lcbop lennard/mdf
line/lj list lj96/cut lj/charmm/coul/charmm
lj/charmm/coul/charmm/implicit lj/charmm/coul/long
lj/charmm/coul/long/opt lj/charmm/coul/long/soft
lj/charmm/coul/msm lj/charmmfsw/coul/charmmfsh
lj/charmmfsw/coul/long lj/class2 lj/class2/coul/cut
lj/class2/coul/cut/soft lj/class2/coul/long
lj/class2/coul/long/cs lj/class2/coul/long/soft lj/class2/soft
lj/cubic lj/cut lj/cut/coul/cut lj/cut/coul/cut/soft
lj/cut/coul/debye lj/cut/coul/dsf lj/cut/coul/long
lj/cut/coul/long/cs lj/cut/coul/long/opt
lj/cut/coul/long/soft lj/cut/coul/msm lj/cut/coul/wolf
lj/cut/dipole/cut lj/cut/dipole/long lj/cut/opt
lj/cut/soft lj/cut/tip4p/cut lj/cut/tip4p/long
lj/cut/tip4p/long/opt lj/cut/tip4p/long/soft lj/expand
lj/expand/coul/long lj/gromacs lj/gromacs/coul/gromacs
lj/long/coul/long lj/long/coul/long/opt
lj/long/dipole/long lj/long/tip4p/long lj/mdf
lj/relres lj/sf/dipole/sf lj/smooth lj/smooth/linear
lj/sf local/density lubricate lubricateU lubricateU/poly
lubricate/poly meam meam/c meam/spline meam/sw/spline
mie/cut momb morse morse/opt
morse/smooth/linear morse/soft nb3b/harmonic nm/cut
nm/cut/coul/cut nm/cut/coul/long nm/cut/split peri/eps
peri/lps peri/pmb peri/ves polymorphic reaxff
reax/c rebo resquared soft srp
sw sw/angle/table sw/mod table tersoff
tersoff/mod tersoff/mod/c tersoff/table tersoff/zbl threebody/table
tip4p/cut tip4p/long tip4p/long/soft tracker tri/lj
ufm ufm/opt vashishta vashishta/table wf/cut
yukawa yukawa/colloid zbl zero

I didn't find deepmd pair styles from lmp -h. I reinstalled deepmd-kit with version 2.1.1 and 2.1.4. They still have the same problem.
Could you please give me some suggestion ? Thank you in advance for your help.

[njzjz]

See deepmodeling/deepmd-kit#1809.

[chenfan22]

Thanks for the reply. I actually ran it in an activated deepmd environment. An extra env file provided for the source_list command from machine file solves this problem.

[chb-deep]

I also had the same err, how did you do it specifically

[niuniu800]

Thanks for the reply. I actually ran it in an activated deepmd environment. An extra env file provided for the source_list command from machine file solves this problem.

Could you please let me know how you set up the activation environment in the source_list file within the machine directory? I've encountered the same issue as you.