installation

Installation of Quantum Espresso v7.1 on Snellius supercomputer using CMake and Intel compilers

Install the Quantum Espresso v7.1 on the AMD EPYC using CMAKE and Intel compilers.

Installation of libXC on Snellius supercomputer

Install the exchange-correlation functional library libXC on the AMD EPYC based supercomputer Snellius using CMAKE and Intel compilers.

Install and manage Intel oneAPI compiler and component tools using environment modules

Just like HPC clusters, manage intel components using module load commands.

Installation of Intel oneAPI suite of compilers on Ubuntu Linux

Install free-to-use Intel compilers and other softwares on ubuntu machines

GPAW v20 installation on the comet cluster at XSEDE, San Diego

GPAW v20 installation on the comet cluster at XSEDE, San Diego, USA

Octopus TDDFT code installation on the comet cluster at XSEDE, San Diego

Octopus TDDFT code installation on the comet cluster at XSEDE, San Diego, USA

Octopus TDDFT code installation on the XC40 Cray supercomputer

Octopus TDDFT code installation on the XC40 Cray supercomputer in the gnu programming environment

GPAW v20 installation on a workstation or desktop

GPAW v20 installation on a standalone machine using Intel compilers

Installation of AlmaBTE code on desktop or workstation computer

Installation of AlmaBTE (Boltzmann Transport Equations) code for thermal simulation on desktop or workstation computer

Install ETSF-IO libray on Cray XC40 supercomputer

Install ETSF io library on Cray XC40 supercomputer

Install netcdf and netcdf-fortran required for ETSF-IO libray and octopus code

Install netcdf and netcdf-library required for etsf-io library and octopus tddft code on a standalone machine or a supercomputer