Replies: 9 comments 8 replies
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hello, I have a similar problem: ERROR: Unrecognized pair style 'deepmd' (../force.cpp:285), Have you solved it yet? Can you share it with me? |
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I meet the same problem, Have you found some solution? |
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I have encountered a similar issue. I find that if I activate the environment in my terminal or my batch script, that the batch job then works |
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I have a same problem. LAMMPS (2 Aug 2023) The 'box' command has been removed and will be ignored Reading data file ... |
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Hello, I've also encountered the same issue, I wonder if anyone have an idea on how to solve it. Thanks in advance. |
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Thank you so much! By the way, I wonder if lammps from conga-forge is incompatible with deepmd package? |
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I know this is a two year old post, but I also had this problem when trying to build the deepmd-kit plugin into LAMMPS. The source of this problem, for me at least, was missing a line in your input script. During the installation of deepmd and LAMMPS, you should end up with a /deepmd/lib/ folder in the directory you are building this code in, and in this folder are a set of plugin files. When using deepmd with LAMMPS, you need to have the following line before the "pair style deepmd" command: plugin load libdeepmd_lmp.so If this does not work, then the only other thing I can think of is a path issue during the installation. In my case, I am running LAMMPS simulations via a super computer, so there is a bash script I need to use to actually start the job. In this bash script, I have to load certain modules, activate my virtual environment, and set the path to the deepmd-kit source code. Here are the specific lines that I am using for this, but they can be modified to use for any other set up I imagine:
I hope this helps anyone else who may have this specific problem |
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I also ran into this issue. I wasn't able to get it working when installing with pip, but the conda install worked (it took eons to resolve the environment, but eventually installed). I of course had to run "conda activate deepmd" before running lmp. I also noticed deepmd did not seem to show up in "lmp -h", and my lammps input file also needed "plugin load libdeepmd_lmp.so" before my pair_style line. (I think each of these little "gotchas" is in this thread in various comments, but I seemed to need all) |
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I have installed the deepmd-kit using conda, and successfully trained a model locally. However, when I tried to use LAMMPS coming with deepmd-kit to run simulation using the dumped model, it leads to the following error:
ERROR: Unrecognized pair style 'deepmd' (src/force.cpp:285)
Last command: pair_style deepmd graph.pb
The
lmp -h
command works totally fine, but deepmd is not an acceptable pair style under the documentation provided by the command. Has anyone encountered such error before? Thanks in advance.Beta Was this translation helpful? Give feedback.
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