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bump LAMMPS version to stable_29Sep2021_update2 #1279

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merged 2 commits into from
Jan 10, 2022
Merged

bump LAMMPS version to stable_29Sep2021_update2 #1279

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9e68a35
bump default LAMMPS version to stable_29Sep2021_update1
njzjz Nov 10, 2021
fff6d83
bump to `update2`
njzjz Jan 8, 2022
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18 changes: 9 additions & 9 deletions doc/install/install-lammps.md
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Original file line number Diff line number Diff line change
Expand Up @@ -12,12 +12,12 @@ make lammps
DeePMD-kit will generate a module called `USER-DEEPMD` in the `build` directory. If you need low precision version, move `env_low.sh` to `env.sh` in the directory. Now download the LAMMPS code (`29Oct2020` or later), and uncompress it:
```bash
cd /some/workspace
wget https://github.com/lammps/lammps/archive/stable_29Sep2021.tar.gz
tar xf stable_29Sep2021.tar.gz
wget https://github.com/lammps/lammps/archive/stable_29Sep2021_update2.tar.gz
tar xf stable_29Sep2021_update2.tar.gz
```
The source code of LAMMPS is stored in directory `lammps-stable_29Sep2021`. Now go into the LAMMPS code and copy the DeePMD-kit module like this
The source code of LAMMPS is stored in directory `lammps-stable_29Sep2021_update2`. Now go into the LAMMPS code and copy the DeePMD-kit module like this
```bash
cd lammps-stable_29Sep2021/src/
cd lammps-stable_29Sep2021_update2/src/
cp -r $deepmd_source_dir/source/build/USER-DEEPMD .
```
Now build LAMMPS
Expand All @@ -43,13 +43,13 @@ Starting from `8Apr2021`, LAMMPS also provides a plugin mode, allowing one build
Now download the LAMMPS code (`8Apr2021` or later), and uncompress it:
```bash
cd /some/workspace
wget https://github.com/lammps/lammps/archive/stable_29Sep2021.tar.gz
tar xf stable_29Sep2021.tar.gz
wget https://github.com/lammps/lammps/archive/stable_29Sep2021_update2.tar.gz
tar xf stable_29Sep2021_update2.tar.gz
```
The source code of LAMMPS is stored in directory `lammps-stable_29Sep2021`. Now go into the LAMMPS code and create a directory called `build`
The source code of LAMMPS is stored in directory `lammps-stable_29Sep2021_update2`. Now go into the LAMMPS code and create a directory called `build`
```bash
mkdir -p lammps-stable_29Sep2021/build/
cd lammps-stable_29Sep2021/build/
mkdir -p lammps-stable_29Sep2021_update2/build/
cd lammps-stable_29Sep2021_update2/build/
```
Now build LAMMPS. Note that `PLUGIN` and `KSPACE` package must be enabled, and `BUILD_SHARED_LIBS` must be set to `yes`. You can install any other package you want.
```bash
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2 changes: 1 addition & 1 deletion source/install/build_cc.sh
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Expand Up @@ -20,7 +20,7 @@ NPROC=$(nproc --all)
BUILD_TMP_DIR=${SCRIPT_PATH}/../build
mkdir -p ${BUILD_TMP_DIR}
cd ${BUILD_TMP_DIR}
cmake -DCMAKE_INSTALL_PREFIX=${INSTALL_PREFIX} -DINSTALL_TENSORFLOW=TRUE ${CUDA_ARGS} -DLAMMPS_VERSION=stable_29Sep2021 -DUSE_TTM=TRUE ..
cmake -DCMAKE_INSTALL_PREFIX=${INSTALL_PREFIX} -DINSTALL_TENSORFLOW=TRUE ${CUDA_ARGS} -DLAMMPS_VERSION=stable_29Sep2021_update2 -DUSE_TTM=TRUE ..
make -j${NPROC}
make install

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2 changes: 1 addition & 1 deletion source/install/build_lammps.sh
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Expand Up @@ -15,7 +15,7 @@ BUILD_TMP_DIR=${SCRIPT_PATH}/../build_lammps
mkdir -p ${BUILD_TMP_DIR}
cd ${BUILD_TMP_DIR}
# download LAMMMPS
LAMMPS_VERSION=stable_29Sep2021
LAMMPS_VERSION=stable_29Sep2021_update2
if [ ! -d "lammps-${LAMMPS_VERSION}" ]
then
curl -L -o lammps.tar.gz https://github.com/lammps/lammps/archive/refs/tags/${LAMMPS_VERSION}.tar.gz
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