Skip to content

Latest commit

 

History

History
20 lines (14 loc) · 1.14 KB

install-from-c-library.md

File metadata and controls

20 lines (14 loc) · 1.14 KB
Raw

Install from pre-compiled C library

DeePMD-kit provides pre-compiled C library package (libdeepmd_c.tar.gz) in each release. It can be used to build the LAMMPS plugin and GROMACS patch, as well as many third-party software packages, without building TensorFlow and DeePMD-kit on one's own.

The library is built in Linux (GLIBC 2.17) with CUDA 11.8. It's noted that this package does not contain CUDA Toolkit and cuDNN, so one needs to download them from the NVIDIA website.

Use Pre-compiled C Library to build the LAMMPS plugin and GROMACS patch

When one installs DeePMD-kit's C++ interface, one can use the CMake argument DEEPMD_C_ROOT to the path libdeepmd_c.

cd $deepmd_source_dir/source
mkdir build
cd build
cmake -DDEEPMD_C_ROOT=/path/to/libdeepmd_c -DCMAKE_INSTALL_PREFIX=$deepmd_root ..
make -j8
make install

Then one can follow the manual Install LAMMPS and/or Install GROMACS.