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DP2.1.5_lmp can not recongize pair_style in lammps input file #2071

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liyibaipnu opened this issue Nov 8, 2022 · 3 comments
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DP2.1.5_lmp can not recongize pair_style in lammps input file #2071

liyibaipnu opened this issue Nov 8, 2022 · 3 comments

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@liyibaipnu
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Bug summary

The dp model trained using dpmd-kit 2.1.5. After training 1000000 steps. We got 4 models to run MD. However, the lmp can not recongize the pair style deepmd.

DeePMD-kit Version

2.1.5

TensorFlow Version

unknow

How did you download the software?

conda

Input Files, Running Commands, Error Log, etc.

error:
pair_style deepmd ../graph.000.pb ../graph.001.pb ../graph.002.pb ../graph.003.pb out_freq ${THERMO_FREQ} out_file model_devi.out
pair_style deepmd ../graph.000.pb ../graph.001.pb ../graph.002.pb ../graph.003.pb out_freq 10 out_file model_devi.out
ERROR: Unrecognized pair style 'deepmd' (src/force.cpp:279)
Last command: pair_style deepmd ../graph.000.pb ../graph.001.pb ../graph.002.pb ../graph.003.pb out_freq ${THERMO_FREQ} out_file model_devi.out

WeChat Image_20221108135907

Steps to Reproduce

no

Further Information, Files, and Links

No response

@liyibaipnu liyibaipnu added the bug label Nov 8, 2022
@liyibaipnu liyibaipnu changed the title DP2.1.15_lmp can not recongize pair_style in lammps input file DP2.1.5_lmp can not recongize pair_style in lammps input file Nov 8, 2022
@AnguseZhang
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You may execute export LAMMPS_PLUGIN_PATH=/opt/deepmd-kit-2.1.5/lib/deepmd_lmp and then try again. Note that change "/opt/deepmd-kit-2.1.5" to your installation path of DeePMD-kit.

@njzjz njzjz added question and removed bug labels Nov 8, 2022
@njzjz
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njzjz commented Nov 8, 2022

Duplicate of #1809.

@njzjz njzjz closed this as not planned Won't fix, can't repro, duplicate, stale Nov 8, 2022
@njzjz njzjz added the duplicate label Nov 8, 2022
@13yong
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13yong commented Jul 15, 2024

You may execute export LAMMPS_PLUGIN_PATH=/opt/deepmd-kit-2.1.5/lib/deepmd_lmp and then try again. Note that change "/opt/deepmd-kit-2.1.5" to your installation path of DeePMD-kit.

Hello. I'm having the same issue.

When I execute export LAMMPS_PLUGIN_PATH=*/deepmd/lib/deepmd_lmp, and then execute lmp -i lmp.in

The result as below

LAMMPS (23 Jun 2022 - Update 4)

Open of file */deepmd/lib/deepmd_lmp/dpplugin.so failed: */deepmd/lib/deepmd_lmp/dpplugin.so: undefined symbol: _ZN9LAMMPS_NS5Error4_allERKNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEEiN3fmt6v8_lmp17basic_string_viewIcEENSA_17basic_format_argsINSA_20basic_format_contextINSA_8appenderEcEEEE

Loaded 0 plugins from*/deepmd/lib/deepmd_lmp

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

Last command: pair_style deepmd frozen_model.pb

In addition, I try to execute export LAMMPS_PLUGIN_PATH=*/deepmd/lib/deepmd_lmp/dpplugin.so and then execute lmp -i lmp.in

The result as below

LAMMPS (23 Jun 2022 - Update 4)

Loaded 0 plugins from */deepmd/lib/deepmd_lmp/dpplugin.so

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

Last command: pair_style deepmd frozen_model.pb

Can you give me some suggestions ?

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