⚠️ Please note that the content here was translated by a large language model.
This blog post introduces the commonly used cluster version management software MODULES, as well as two implementations of MPI (UCX+OpenMPI/MPICH), and the installation and configuration of Intel oneAPI. MODULES (latest version released in November 2024) has complex software dependencies and requires modulefiles written in TCL (which can be addressed with generative AI). In the future, there will be opportunities to learn a more user-friendly alternative like spack.
sudo wget http://prdownloads.sourceforge.net/tcl/tcl8.6.14-src.tar.gz
sudo tar -zxvf tcl8.6.14-src.tar.gz
cd tcl8.6.14/unix
sudo ./configure --prefix=/usr/local
sudo make
sudo make install
sudo whereis tcl
sudo ln /usr/local/bin/tclsh8.6 /usr/bin/tclsh
GMP
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sudo wget ftp://ftp.gnu.org/gnu/gmp/gmp-5.0.1.tar.bz2
sudo tar -vxf gmp-5.0.1.tar.bz2
cd gmp-5.0.1/
sudo ./configure --prefix=/usr/local/gmp-5.0.1
sudo make
sudo make install
sudo make check
>>> All 30 tests passed...
MPFR (buggy but acceptable)
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sudo wget https://ftp.gnu.org/gnu/mpfr/mpfr-3.1.5.tar.xz
sudo tar -vxf mpfr-3.1.5.tar.xz
cd mpfr-3.1.5/
sudo ./configure --prefix=/usr/local/mpfr-3.1.5 --with-gmp=/usr/local/gmp-5.0.1
sudo make
sudo make install
MPC
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sudo wget http://www.multiprecision.org/downloads/mpc-0.9.tar.gz
sudo tar -vxf mpc-0.9.tar.gz
cd mpc-0.9/
sudo ./configure --prefix=/usr/local/mpc-0.9 --with-gmp=/usr/local/gmp-5.0.1/ --with-mpfr=/usr/local/mpfr-3.1.5/
sudo make
sudo make install
Installing MODULES
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sudo curl -LJO https://github.com/cea-hpc/modules/releases/download/v5.4.0/modules-5.4.0.tar.gz
sudo tar xfz modules-5.4.0.tar.gz
sudo ./configure --with-tcl=/usr/local/lib --prefix=/home/Modules --modulefilesdir=/home/modulefiles
sudo make
sudo make install
sudo ln -s /home/Modules/init/profile.sh /etc/profile.d/module.sh
sudo ln -s /home/Modules/init/profile.csh /etc/profile.d/module.csh
source /home/Modules/init/profile.sh # Recommended to add to /etc/profile, otherwise manual initialization (`source /home/Modules/init/profile.sh`) is needed each time you enter the shell
Note: Due to certain special reasons, we have to install MODULES and other software in the /home directory.
/home/moduledownload/ temporarily stores installation packages for TCL (8.6) and MODULE (5.4.0).
/home/Module/ contains the actual Module files, including initialization files (with symbolic links).
/home/modulefiles/ stores version files for various software (second-level directory is software name, third-level is version number text).
/home/apps/ stores the actual software.
wget https://github.com/openucx/ucx/releases/download/v1.15.0/ucx-1.15.0.tar.gz
tar -xvzf ucx-1.15.0.tar.gz
cd ucx-1.15.0
mkdir build &cd build
../configure --prefix=/home/zhengkaige/ucx
make -j N
make install
Installing MPICH (v4.2.2)
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tar -xvzf mpich-4.2.2.tar.gz
cd mpich-4.2.2
./configure --prefix=/home/apps/MPICH/4.2.2
make
make install
You may encounter an error: configure: error: UCX installation does not meet minimum version requirement (v1.9.0). Please upgrade your installation, or use --with-ucx=embedded.
Installing OpenMPI (v5.0.0)
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wget https://download.open-mpi.org/release/open-mpi/v5.0/openmpi-5.0.0.tar.gz
tar -xzvf openmpi-5.0.0.tar.gz
cd openmpi-5.0.0
mkdir build &&cd build
#%Module
set version 4.2.2
set MPI_HOME /home/apps/MPICH/4.2.2
prepend-path PATH "${MPI_HOME}/bin"prepend-path LD_LIBRARY_PATH "${MPI_HOME}/lib"prepend-path MANPATH "${MPI_HOME}/share/man"
Installing Intel oneAPI (v2025.0 including Base Toolkit and HPC Toolkit)
Follow the official offline installation method. Note that when Intel updates oneAPI, the old version interface will be removed, so installing older versions relies on mirror sites and other sources. However, new versions may not be user-friendly; for example, in 2025.0, mpiicc still uses icc as the compiler, but in 2025.0 (including late 2023 versions and 2024.x), the suite no longer includes icc. icc was removed in the oneAPI released in the second half of 2023.
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# install base toolkitwget https://registrationcenter-download.intel.com/akdlm/IRC_NAS/dfc4a434-838c-4450-a6fe-2fa903b75aa7/intel-oneapi-base-toolkit-2025.0.1.46_offline.sh
sudo sh ./intel-oneapi-base-toolkit-2025.0.1.46_offline.sh -a --silent --cli --eula accept
# install HPC toolkitwget https://registrationcenter-download.intel.com/akdlm/IRC_NAS/b7f71cf2-8157-4393-abae-8cea815509f7/intel-oneapi-hpc-toolkit-2025.0.1.47_offline.sh
sudo sh ./intel-oneapi-hpc-toolkit-2025.0.1.47_offline.sh -a --silent --cli --eula accept
