From ae623415ea985cb76c42855884575ed844107e4e Mon Sep 17 00:00:00 2001 From: Xiaojie Wu Date: Sun, 17 Dec 2023 22:08:40 -0800 Subject: [PATCH] update README.md --- README.md | 31 ++++++++++++++----------------- 1 file changed, 14 insertions(+), 17 deletions(-) diff --git a/README.md b/README.md index 4b4584f1..86fefee6 100644 --- a/README.md +++ b/README.md @@ -4,25 +4,22 @@ Installation -------- > [!NOTE] -> The compiled binary packages support compute capability 7.0 and later (Volta and later, such as Tesla V100, RTX 20 series and later). For older GPUs, please compile the package with the source code as follows. +> The compiled binary packages support compute capability 7.0 and later (Volta and later, such as Tesla V100, RTX 20 series and later). For older GPUs (GTX 10**, Tesla P100), please compile the package with the source code as follows. -For **CUDA 11.x** -```sh -pip3 install gpu4pyscf-cuda11x -``` -and install cutensor -```sh -python -m cupyx.tools.install_library --cuda 11.x --library cutensor -``` +Run ```nvidia-smi``` in your terminal to check the installed CUDA version. -For **CUDA 12.x** -```sh -pip3 install gpu4pyscf-cuda12x -``` -and install cutensor -```sh -python -m cupyx.tools.install_library --cuda 12.x --library cutensor -``` +Choose the proper package based on your CUDA environment. + +| Platform | Command | +----------------| --------------------------------------| +| **CUDA 11.x** | ```pip3 install gpu4pyscf-cuda11x``` | +| **CUDA 12.x** | ```pip3 install gpu4pyscf-cuda12x``` | + +```cuTensor``` is **highly recommended** to be installed for accelerating tensor contractions. + +For **CUDA 11.x**, ```python -m cupyx.tools.install_library --cuda 11.x --library cutensor``` + +For **CUDA 12.x**, ```python -m cupyx.tools.install_library --cuda 12.x --library cutensor``` Compilation --------