diff --git a/doc/install/install-from-source.md b/doc/install/install-from-source.md index 8efa20a374..c9764e548c 100644 --- a/doc/install/install-from-source.md +++ b/doc/install/install-from-source.md @@ -174,7 +174,7 @@ One may add the following arguments to `cmake`: | -DCUDA_TOOLKIT_ROOT_DIR=<value> | Path | Detected automatically | The path to the CUDA toolkit directory. | | -DUSE_ROCM_TOOLKIT=<value> | `TRUE` or `FALSE` | `FALSE` | If `TRUE`, Build GPU support with ROCM toolkit. | | -DROCM_ROOT=<value> | Path | Detected automatically | The path to the ROCM toolkit directory. | -| -DLAMMPS_VERSION_NUMBER=<value> | Number | `20201029` | Only neccessary for LAMMPS built-in mode. The version number of LAMMPS (yyyymmdd). | +| -DLAMMPS_VERSION_NUMBER=<value> | Number | `20210929` | Only neccessary for LAMMPS built-in mode. The version number of LAMMPS (yyyymmdd). | | -DLAMMPS_SOURCE_ROOT=<value> | Path | - | Only neccessary for LAMMPS plugin mode. The path to the LAMMPS source code (later than 8Apr2021). If not assigned, the plugin mode will not be enabled. | If the cmake has executed successfully, then diff --git a/doc/install/install-lammps.md b/doc/install/install-lammps.md index d86a7e909f..d50be897ee 100644 --- a/doc/install/install-lammps.md +++ b/doc/install/install-lammps.md @@ -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_29Oct2020.tar.gz -tar xf stable_29Oct2020.tar.gz +wget https://github.com/lammps/lammps/archive/stable_29Sep2021.tar.gz +tar xf stable_29Sep2021.tar.gz ``` -The source code of LAMMPS is stored in directory `lammps-stable_29Oct2020`. 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`. Now go into the LAMMPS code and copy the DeePMD-kit module like this ```bash -cd lammps-stable_29Oct2020/src/ +cd lammps-stable_29Sep2021/src/ cp -r $deepmd_source_dir/source/build/USER-DEEPMD . ``` Now build LAMMPS @@ -43,13 +43,13 @@ Starting from `8Apr2021`, LAMMPS also provides a plugin mode, allowing one build Now download the LAMMPS code (`8Apr2021` or later), and uncompress it: ```bash cd /some/workspace -wget https://github.com/lammps/lammps/archive/patch_30Jul2021.tar.gz -tar xf patch_30Jul2021.tar.gz +wget https://github.com/lammps/lammps/archive/stable_29Sep2021.tar.gz +tar xf stable_29Sep2021.tar.gz ``` -The source code of LAMMPS is stored in directory `lammps-patch_30Jul2021`. Now go into the LAMMPS code and create a directory called `build` +The source code of LAMMPS is stored in directory `lammps-stable_29Sep2021`. Now go into the LAMMPS code and create a directory called `build` ```bash -mkdir -p lammps-patch_30Jul2021/build/ -cd lammps-patch_30Jul2021/build/ +mkdir -p lammps-stable_29Sep2021/build/ +cd lammps-stable_29Sep2021/build/ ``` Now build LAMMPS. Note that `PLUGIN` and `KSPACE` package must be enabled, and `BUILD_SHARED_LIBS` must be set to `yes`. You can install any other package you want. ```bash diff --git a/source/install/build_cc.sh b/source/install/build_cc.sh index 16a269404d..c7e7686812 100755 --- a/source/install/build_cc.sh +++ b/source/install/build_cc.sh @@ -20,7 +20,7 @@ NPROC=$(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 ${CUDA_ARGS} -DLAMMPS_VERSION=patch_30Jul2021 -DUSE_TTM=TRUE .. +cmake -DCMAKE_INSTALL_PREFIX=${INSTALL_PREFIX} -DINSTALL_TENSORFLOW=TRUE ${CUDA_ARGS} -DLAMMPS_VERSION=stable_29Sep2021 -DUSE_TTM=TRUE .. make -j${NPROC} make install diff --git a/source/install/build_lammps.sh b/source/install/build_lammps.sh index c11aa2c733..912f577979 100755 --- a/source/install/build_lammps.sh +++ b/source/install/build_lammps.sh @@ -15,7 +15,7 @@ BUILD_TMP_DIR=${SCRIPT_PATH}/../build_lammps mkdir -p ${BUILD_TMP_DIR} cd ${BUILD_TMP_DIR} # download LAMMMPS -LAMMPS_VERSION=patch_30Jul2021 +LAMMPS_VERSION=stable_29Sep2021 if [ ! -d "lammps-${LAMMPS_VERSION}" ] then curl -L -o lammps.tar.gz https://github.com/lammps/lammps/archive/refs/tags/${LAMMPS_VERSION}.tar.gz diff --git a/source/lmp/CMakeLists.txt b/source/lmp/CMakeLists.txt index bb89a6357b..970959c678 100644 --- a/source/lmp/CMakeLists.txt +++ b/source/lmp/CMakeLists.txt @@ -1,7 +1,7 @@ add_subdirectory(plugin) if (NOT DEFINED LAMMPS_VERSION_NUMBER) - # set the default to 29 Oct 2020 - set(LAMMPS_VERSION_NUMBER 20201029) + # set the default to stable_29Sep2021 + set(LAMMPS_VERSION_NUMBER 20210929) endif() message(STATUS "LAMMPS version is ${LAMMPS_VERSION_NUMBER}")