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Version: 2024.05

Install Error

About the Compilation Environment​

Most installation failures are due to version mismatches in the compilation environment or missing relevant environment variables. Please ensure that the following compilers are correctly installed and that their versions are compatible.

We recommend using intel2020 version, cuda/11.8, cmake version >= 3.21, and gcc version 8.n. The pytorch version used in PWMLFF is 2.0 or higher, and it must be used with cuda/11.8 or a newer version.

You can check the environment using the src/check_env.sh script located in the root directory of the source code. A correct environment will look as follows:

1. CUDA version is 11.8.
2. nvcc command exists.
3. ifort version is no less than 19.1, current version is 19.1.
4. MKL library is installed.
5. GCC version is not 8.x, current version is 8.
6. PyTorch is installed.
7. PyTorch version is 2.0 or above, current version is 2.2.