Openmx Installer

Install OpenMX in the Intel OneAPI compiler environment

• Intel® oneAPI Base Toolkit

  • For WSL, choose "Linux" and "Offline Installer".
  • Type the commands on a terminal.

• Intel® oneAPI HPC Toolkit

• When you use Intel oneAPI, you should type the following command.

source /opt/intel/oneapi/setvars.sh

After setup the Intel oneAPI, then you can install OpenMX.

bash install_openmx_for_wsl_inteloneapi.sh

Install OpenMX on ISSP supercomputer ohtaka

• Intel oneAPI Classic + OpenMPI + MKL
• used module
  • oneapi_compiler/2023.0.0 oneapi_mkl/2023.0.0 openmpi/4.1.5-oneapi-2023.0.0-classic

bash install_openmx_for_ohtaka_inteloneapi_openmpi.sh