supercomputer

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.

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

Conditional execution of jobs using PBS or slurm

Execute or run jobs one after the other automatically