CentOS 8.5环境配置

在CentOS 8.5系统下配置高性能计算环境。主要包含编译器套件、分布式并行套件、各种数值计算库、Python环境、辅助管理工具、GPU开发环境等。利用CentOS自带的RPM仓库，加上OpenHPC和Intel oneAPI仓库,大体上能满足yum和dnf安装需求!

安装配置过程零零散散，特汇集一处，随时增量完善，以备忘!

工具命令

yum
dnf
module

安装源仓库

repolist

# dnf repolist
仓库 id                             仓库名称
OpenHPC                             OpenHPC-2 - Base
OpenHPC-updates                     OpenHPC-2 - Updates
appstream                           CentOS Linux 8 - AppStream
baseos                              CentOS Linux 8 - BaseOS
cudnn-local-rhel8-8.5.0.96          cudnn-local-rhel8-8.5.0.96
epel                                Extra Packages for Enterprise Linux 8 - x86_64
extras                              CentOS Linux 8 - Extras
oneAPI                              Intel(R) oneAPI repository

OpenHPC仓库包含很多HPC开发所用的工具和数学库(比如,SuperLU和MUMPS)

安装Intel oneAPI 仓库(包含rpm安装包)

yum install intel-oneapi-toolkit-release-ohpc

搜索powertools会有很多rpm安装包

dnf --enablerepo=powertools search openblas-devel

安装environment-modules可以使用module管理配置开发环境
```
$ rpm -qa | grep env
environment-modules-4.5.2-1.el8.x86_64
```

安装conda-4.10.3, 用conda管理python环境

# rpm -qa | grep conda
anaconda-gui-33.16.5.6-1.el8.x86_64
conda-4.10.3-1.el8.noarch
libreport-anaconda-2.9.5-15.el8.x86_64
python3-conda-4.10.3-1.el8.noarch
anaconda-core-33.16.5.6-1.el8.x86_64
anaconda-widgets-33.16.5.6-1.el8.x86_64
anaconda-tui-33.16.5.6-1.el8.x86_64
anaconda-user-help-8.3.3-1.el8.centos.noarch
python3-conda-package-handling-1.7.3-2.el8.x86_64

~/.bashrc内容

$ cat  .bashrc
# .bashrc# Source global definitions
if [ -f /etc/bashrc ]; then. /etc/bashrc
fi# User specific environment
PATH="$HOME/.local/bin:$HOME/bin:$PATH"
export PATHexport PS1='\u@\h \w \n\$ '# Uncomment the following line if you don't like systemctl's auto-paging feature:
# export SYSTEMD_PAGER=# User specific aliases and functions#load mpich
#module load /usr/share/modulefiles/mpi/mpich-x86_64#load openmpi env
module load /usr/share/modulefiles/mpi/openmpi-x86_64#load nvhpc env
#module load /opt/nvidia/hpc_sdk/modulefiles/nvhpc/22.2#export KOKKOS_PATH=~/local.optexport PATH=$PATH:/usr/local/cuda/bin
export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/usr/local/cuda/lib64# >>> conda initialize >>>
# !! Contents within this block are managed by 'conda init' !!
__conda_setup="$('/usr/bin/conda' 'shell.bash' 'hook' 2> /dev/null)"
if [ $? -eq 0 ]; theneval "$__conda_setup"
elseif [ -f "/usr/etc/profile.d/conda.sh" ]; then. "/usr/etc/profile.d/conda.sh"elseexport PATH="/usr/bin:$PATH"fi
fi
unset __conda_setup
# <<< conda initialize <<<

其他版本gcc-toolset

$ yum search gcc-toolset
上次元数据过期检查：1:03:17 前，执行于 2023年03月07日 星期二 13时12分30秒。
============================================================== 名称 和 概况 匹配：gcc-toolset ==============================================================
gcc-toolset-10.x86_64 : Package that installs gcc-toolset-10
gcc-toolset-10-runtime.x86_64 : Package that handles gcc-toolset-10 Software Collection.
gcc-toolset-11.x86_64 : Package that installs gcc-toolset-11
gcc-toolset-11-runtime.x86_64 : Package that handles gcc-toolset-11 Software Collection.
gcc-toolset-9.x86_64 : Package that installs gcc-toolset-9
gcc-toolset-9-runtime.x86_64 : Package that handles gcc-toolset-9 Software Collection.
================================================================== 名称 匹配：gcc-toolset ==================================================================
gcc-toolset-10-annobin.x86_64 : Annotate and examine compiled binary files
gcc-toolset-10-binutils.x86_64 : A GNU collection of binary utilities
gcc-toolset-10-binutils-devel.i686 : BFD and opcodes static and dynamic libraries and header files
gcc-toolset-10-binutils-devel.x86_64 : BFD and opcodes static and dynamic libraries and header files
gcc-toolset-10-build.x86_64 : Package shipping basic build configuration
gcc-toolset-10-dwz.x86_64 : DWARF optimization and duplicate removal tool
gcc-toolset-10-dyninst.x86_64 : An API for Run-time Code Generation
gcc-toolset-10-dyninst-devel.x86_64 : Header files for compiling programs with Dyninst
gcc-toolset-10-elfutils.x86_64 : A collection of utilities and DSOs to handle ELF files and DWARF data
gcc-toolset-10-elfutils-debuginfod-client.i686 : Library and command line client for build-id HTTP ELF/DWARF server
gcc-toolset-10-elfutils-debuginfod-client.x86_64 : Library and command line client for build-id HTTP ELF/DWARF server
gcc-toolset-10-elfutils-debuginfod-client-devel.i686 : Libraries and headers to build debuginfod client applications
gcc-toolset-10-elfutils-debuginfod-client-devel.x86_64 : Libraries and headers to build debuginfod client applications
gcc-toolset-10-elfutils-devel.i686 : Development libraries to handle compiled objects
...

NVHPC和CUDA开发安装包需要去NVIDIA官网下载安装，用module配置加载

网络资料

OPENHPC搭建集群

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CentOS 8.5高性能计算开发环境配置备忘

CentOS 8.5环境配置

工具命令

安装源仓库

网络资料

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