NAMD
|
2.14
|
https://www.ks.uiuc.edu/Research/namd
|
FFTW
|
3.3.8
|
http://www.fftw.org/fftw-3.3.8.tar.gz
|
毕昇编译器和Hyper MPI
|
24.0.RC1
|
https://www.hikunpeng.com/developer/hpc/hpckit-download
|
NVIDIA CUDA组件
|
11.4
|
https://developer.download.nvidia.com/compute/cuda/11.4.0/local_installers/cuda_11.4.0_470.42.01_linux_sbsa.run
|
测试算例
|
stmv_nve_cuda
|
https://www.ks.uiuc.edu/Research/namd/utilities/stmv.tar.gz
|