Yambo

“Yambo is a FORTRAN/C code for Many-Body calculations in solid state and molecular physics. Yambo relies on the Kohn-Sham wavefunctions generated by two DFT public codes: abinit, and PWscf.”

Yambo relies on previously computed ground-state properties and for this reason it is interfaced with other density functional theory (DFT) codes.

The Yambo installations are generally maintained by Weine Olovsson (weiol@nsc.liu.se).

Installations on NSC systems

Tetralith and Sigma

Yambo is available via the module system on Tetralith and Sigma. For more information about available versions, please see the Tetralith and Sigma Software list It is recommended to use up-to-date standalone installations of Yambo provided via modules. There are also older builds available from Quantum ESPRESSO installations (see below).

Modules

Yambo/5.1.2-nsc1-intel-2018b-eb

Version 5.1.2 installed with “make all”.

Old installations with Quantum ESPRESSO

Version 4.5.2 is found in:

/software/sse/manual/QuantumESPRESSO/7.1/nsc1/YAMBO
/software/sse/manual/QuantumESPRESSO/7.0/nsc1/YAMBO
/software/sse/manual/QuantumESPRESSO/6.8/nsc1/YAMBO

and 4.5.1 is found in:

/software/sse/manual/QuantumESPRESSO/6.6/nsc1/YAMBO

and 4.2.1 is found in:

/software/sse/manual/QuantumESPRESSO/6.3/nsc1/YAMBO
/software/sse/manual/QuantumESPRESSO/6.4.1/nsc1/YAMBO

and (previous) developer’s version 4.3.2 are e.g. found in:

/software/sse/manual/QuantumESPRESSO/6.3/nsc2/YAMBO_DEVEL
/software/sse/manual/QuantumESPRESSO/6.4.1/nsc1/YAMBO_DEVEL

Example batch script

A simple batch script for running Yambo modules (preferred):

#!/bin/bash
#SBATCH -A naiss-xxx-yyy
#SBATCH -J jobname
#SBATCH -N 1 --exclusive
#SBATCH -t 12:00:00

module load Yambo/5.1.2-nsc1-intel-2018b-eb
mpprun yambo

Alternatively, running directly:

#!/bin/bash
#SBATCH -A naiss-xxx-yyy
#SBATCH -J jobname
#SBATCH -N 1 --exclusive
#SBATCH -t 12:00:00

mpprun /software/sse/manual/QuantumESPRESSO/6.4.1/nsc1/YAMBO/bin/yambo

(Note that you should edit the jobname and the account number before submitting. Change path to latest stable version.)