Siesta installations at NSC


Directory list:

VersionDescription
3.1 Siesta 3.1

Level of support

Tier 3 NSC will not be able to help you much with this program, either because we lack the in-house experience, or because it is a test installation. In general, these types of installations are untested, and will not be updated unless you send a request to NSC.

Please see the page describing our software support categories for more information.
You can also contact support@nsc.liu.se for further information.

Name of the binary

The binary is called “siesta”.

How to run

Load the siesta module corresponding to the version you want to use, e.g

module load siesta/3.1-i1214

Then launch the desired binary using “mpprun”, e.g

mpprun /path/to/siesta

…or to use whatever version is in $PATH:

mpprun $(type -p siesta)

Example of Job script

#!/bin/bash
#
#SBATCH -N 2
#SBATCH --exclusive

mpprun /software/apps/siesta/3.1/i1214/bin/siesta < input.fdf > result.out