conda install deepmd-kit=1.0.1=*cpu lammps-dp=1.0.1=*cpu -c deepmodeling 二、离线安装 至https://github.com/njzjz/deepmd-kit-recipes/releases下载v1.0.1离线安装包(也提供了百度网盘链接): 下载后执行以下命令,按提示操作即可。 sh deepmd-kit-1.0.1-*pu-Linux-x86_64.sh 三、使用与注意事项 dp...
tar -zxvf cmake-3.15.3.tar.gzcdcmake-3.15.3/#指定一个安装目录,比如${DeePMDkitHOME}/pre-tools/cmake#这里我指定DeePMDkitHOME为/public/software/apps/DeePMD-kit,根据自己的实际目录更改exportDeePMDkitHOME=/public/software/apps/DeePMD-kitmkdir -p${DeePMDkitHOME}/pre-tools./configure --prefix=${D...
一、conda安装 安装conda后,使用以下命令安装GPU版: conda install deepmd-kit=*=*gpu lammps-dp=*=*gpu -c deepmodeling 将gpu改为cpu即可安装CPU版: conda install deepmd-kit=*=*cpu lammps-dp=*=*cpu -c deepmodeling 如需指定版本,需将两个等号中间的*号改为版本号: conda install deepmd-kit=1.3=...
tar -zxvf cmake-3.15.3.tar.gzcdcmake-3.15.3/#指定一个安装目录,比如${DeePMDkitHOME}/pre-tools/cmake#这里我指定DeePMDkitHOME为/public/software/apps/DeePMD-kit,根据自己的实际目录更改exportDeePMDkitHOME=/public/software/apps/DeePMD-kitmkdir -p${DeePMDkitHOME}/pre-tools./configure --prefix=${D...