Install the Quantum Espresso v7.1 on the AMD EPYC using CMAKE and Intel compilers.
Install the exchange-correlation functional library libXC on the AMD EPYC based supercomputer Snellius using CMAKE and Intel compilers.
Just like HPC clusters, manage intel components using module load commands.
Use this python code to accurately predict the size of the proposal ring from a palm photograph
Run automatic compilation and tests using Intel oneapi compilers on the Github Actions workflow yml
Install free-to-use Intel compilers and other softwares on ubuntu machines
Create a tag from a particular commit git / github
GPAW v20 installation on the comet cluster at XSEDE, San Diego, USA
How to wrap atoms back to the unit cell in VMD
Octopus TDDFT code installation on the comet cluster at XSEDE, San Diego, USA
Octopus TDDFT code installation on the XC40 Cray supercomputer in the gnu programming environment
GPAW v20 installation on a standalone machine using Intel compilers
Installation of AlmaBTE (Boltzmann Transport Equations) code for thermal simulation on desktop or workstation computer
Install ETSF io library on Cray XC40 supercomputer
Execute or run jobs one after the other automatically
Install netcdf and netcdf-library required for etsf-io library and octopus tddft code on a standalone machine or a supercomputer