---
title: 环境要求
description: "硬件要求如表1所示。"
url: https://www.hikunpeng.com/document/detail/zh/kunpenghpcs/hpcindapp/prtg-osc/kunpenggromacs_02_0016.html
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---
# 环境要求

#### 硬件要求

硬件要求如表1所示。


**表1 硬件要求**

| 项目 | 说明 |
| --- | --- |
| CPU | 鲲鹏920处理器 |
| GPU | NVIDIA Tesla A100 |


#### 软件要求

软件要求如表2所示。


**表2 软件要求**

| 项目 | 版本 | 下载地址 |
| --- | --- | --- |
| GROMACS | 2019.3 | http://ftp.gromacs.org/pub/gromacs/gromacs\-2019.3.tar.gz(http://ftp.gromacs.org/pub/gromacs/gromacs\-2019.3.tar.gz) |
| 毕昇编译器和Hyper MPI | 24.0.RC1 | https://www.hikunpeng.com/developer/hpc/hpckit\-download(https://www.hikunpeng.com/developer/hpc/hpckit\-download) |
| OpenBLAS | 0.3.6 | https://github.com/xianyi/OpenBLAS/archive/refs/tags/v0.3.6.tar.gz(https://github.com/xianyi/OpenBLAS/archive/refs/tags/v0.3.6.tar.gz) |
| FFTW | 3.3.8 | https://fftw.org/pub/fftw/fftw\-3.3.8.tar.gz(https://fftw.org/pub/fftw/fftw\-3.3.8.tar.gz) |
| CMake | 3.8.1 | https://cmake.org/files/v3.8/cmake\-3.8.1.tar.gz(https://cmake.org/files/v3.8/cmake\-3.8.1.tar.gz) |
| 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(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 | water\_GMX50\_bare | https://ftp.gromacs.org/pub/benchmarks/water\_GMX50\_bare.tar.gz(https://ftp.gromacs.org/pub/benchmarks/water\_GMX50\_bare.tar.gz) |


#### 操作系统要求

操作系统要求如表3所示。


**表3 操作系统要求**

| 项目 | 版本 | 下载地址 |
| --- | --- | --- |
| CentOS | 8.2 | https://vault.centos.org/8.2.2004/isos/aarch64/(https://vault.centos.org/8.2.2004/isos/aarch64/) |
| Kernel | 4.18.0\-193 | https://vault.centos.org/8.2.2004/BaseOS/Source/SPackages/kernel\-4.18.0\-193.el8.src.rpm(https://vault.centos.org/8.2.2004/BaseOS/Source/SPackages/kernel\-4.18.0\-193.el8.src.rpm) |