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Environmental Requirements

Hardware Requirements

Table 1 lists the hardware requirements.

**Table 1** Hardware
Item	Remarks
CPU	Kunpeng 920 processor
GPU	NVIDIA Tesla A100

Software Requirements

Table 2 lists the software requirements.

**Table 2** Software requirements
Item	Version	Download Address
GROMACS	2019.3	http://ftp.gromacs.org/pub/gromacs/gromacs-2019.3.tar.gz
BiSheng Compiler	1.3.3	https://mirrors.huaweicloud.com/kunpeng/archive/compiler/bisheng_compiler/bisheng-compiler-1.3.3-aarch64-linux.tar.gz
Hyper MPI	1.1.1	https://www.hikunpeng.com/document/detail/zh/kunpenghpcs/hypermpi/userg_huaweimpi_0010.html
OpenBLAS	0.3.6	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
CMake	3.8.1	https://cmake.org/files/v3.8/cmake-3.8.1.tar.gz
NVIDIA CUDA	11.4	https://developer.download.nvidia.com/compute/cuda/11.4.0/local_installers/cuda_11.4.0_470.42.01_linux_sbsa.run
Test cases	water_GMX50_bare	https://ftp.gromacs.org/pub/benchmarks/water_GMX50_bare.tar.gz

OS Requirements

Table 3 lists the OS requirements.

**Table 3** OS requirements
Item	Version	Download URL
CentOS	8.2	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

Parent topic: GROMACS 2019.3 Porting Guide (CentOS 8.2)