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lammps-dp is deprecated #46

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Merged
likefallwind merged 5 commits into from
Jul 12, 2022
Merged

lammps-dp is deprecated #46

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1008b99
Merge pull request #28 from deepmodeling/devel
likefallwind Apr 7, 2022
55fd002
Merge pull request #30 from deepmodeling/devel
likefallwind Apr 7, 2022
9706dca
Merge pull request #36 from deepmodeling/devel
likefallwind Apr 21, 2022
1ffa198
Merge pull request #44 from deepmodeling/devel
likefallwind Jun 10, 2022
bd11854
lammps-dp is deprecated
njzjz Jul 6, 2022
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6 changes: 3 additions & 3 deletions source/Tutorials/DeePMD-kit/learnDoc/Installation.md
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Expand Up @@ -33,20 +33,20 @@ Users can use `conda` to install the DeePMD-kit if their machine can be connecte
Both the CPU and GPU versions of DeePMD-kit can be installed via conda. Users can create an environment that contains the CPU version of DeePMD-kit and LAMMPS.

```sh
(base)$ conda create -n deepmd deepmd-kit=*=*cpu libdeepmd=*=*cpu lammps-dp -c https://conda.deepmodeling.org
(base)$ conda create -n deepmd deepmd-kit=*=*cpu libdeepmd=*=*cpu lammps -c https://conda.deepmodeling.org
```

or create an environment that contains the GPU version of DeePMD-kit and LAMMPS.

```sh
(base)$ conda create -n deepmd deepmd-kit=*=*gpu libdeepmd=*=*gpu lammps-dp cudatoolkit=11.3 horovod -c https://conda.deepmodeling.org
(base)$ conda create -n deepmd deepmd-kit=*=*gpu libdeepmd=*=*gpu lammps cudatoolkit=11.3 horovod -c https://conda.deepmodeling.org
```

The environment also contains the [CUDA Toolkit](https://docs.nvidia.com/deploy/cuda-compatibility/index.html#binary-compatibility__table-toolkit-driver). Users could change the CUDA Toolkit version from 10.1 or 11.3.
The latest version of DeePMD-kit will be installed by the above command. Users may want to specify the DeePMD-kit version such as 2.0.0 using

```sh
(base)$ conda create -n deepmd deepmd-kit=2.0.0=*cpu libdeepmd=2.0.0=*cpu lammps-dp=2.0.0 horovod -c https://conda.deepmodeling.org
(base)$ conda create -n deepmd deepmd-kit=2.0.0=*cpu libdeepmd=2.0.0=*cpu lammps horovod -c https://conda.deepmodeling.org
```

Before using the DeePMD-kit, users need to ensure that the environment is active. Users can enable the deepmd environment using
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