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The module wannier90/2.1.0 makes the following executables available for use: wannier90.x and postw90.x. Also, the library libwannier.a (inside $WANNIER90_ROOT) can be used to link against a desired code.
Note that wannier90/2.1.0 has been compiled with MPI support. As stated by the developers, the code is paralellised over k-points.
Example Jobscripts
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|---|---|---|
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#!/bin/bash
#SBATCH --time 12:00:00
#SBATCH --nodes=1
### Here, it is assumed that at least 96 k-points are present
#SBATCH --ntasks-per-node=96
#SBATCH --cpus-per-task=1
#SBATCH --time=06:00:00
#SBATCH --job-name=wannier
export OMP_NUM_THREADS=${SLURM_CPUS_PER_TASK}
# On Emmy, employ impi/2021.6 instead
module load impi/2021.7.1 wannier90/2.1.0
# Assuming the input file is wannier90.win
srun wannier90x wannier90 |