使用cmake安装 cmake .. -DGMX_BUILD_OWN_FFTW=ON \ -DGMX_GPU=CUDA \ -DCUDA_TOOLKIT_ROOT_DIR=/usr/local/cuda-12.4 \ -DCUDA_INCLUDE_DIRS=/usr/local/cuda-12.4/include \ -DCUDA_CUDART_LIBRARY=/usr/local/cuda-12.4/lib64 \ -DCMAKE_INSTALL_PREFIX=/usr/local/gromacs-2023 make make ch...
install build-conda.md easy-install.md index.md index.rst install-from-c-library.md install-from-source.md install-gromacs.md install-ipi.md install-lammps.md install-nodejs.md install-tf.1.12.md install-tf.1.14-gpu.md install-tf.1.14.md install-tf.1.8.md install-tf.2.3.md install-tf...
install build-conda.md easy-install-dev.md easy-install.md index.md index.rst install-from-c-library.md install-from-source.md install-gromacs.md install-ipi.md install-lammps.md install-nodejs.md install-tf.1.12.md install-tf.1.14-gpu.md install-tf.1.14.md install-tf.1.8.md install-tf...