Yambo Installations on Tetralith & Sigma

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

“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.”

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.)