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ABINIT

ABINIT is a DFT package for calculating optical, mechanical, vibrational, and other properties of materials, with support for perturbation theories and many-body methods (GW, DMFT).

Loading the module

module load ABINIT/9.6.2-intel-2022a

To see all installed versions across clusters, check the software catalog or run module spider ABINIT.

Expand to see all available modules on each cluster
ABINIT/9.6.2-intel-2022a
ABINIT/9.10.3-intel-2022a
ABINIT/8.4.4-intel-2017b ABINIT/8.6.3-intel-2017b ABINIT/8.6.3-intel-2017b-Wannier90-2.1.0
ABINIT/8.8.4-intel-2018a ABINIT/8.9.3-intel-2017b ABINIT/8.10.3-foss-2018b
ABINIT/8.10.3-intel-2018b

Batch job example

abinit.slurm
#!/bin/bash
#SBATCH --qos=regular
#SBATCH --job-name=abinit
#SBATCH --nodes=2
#SBATCH --ntasks-per-node=24
#SBATCH --cpus-per-task=1
#SBATCH --mem=200G
#SBATCH --time=24:00:00
#SBATCH --output=%x.%j.out
#SBATCH --error=%x.%j.err

module load ABINIT/9.6.2-intel-2022a

srun abinit input.abi > input.log

Info

ABINIT reads its input from command-line arguments (.abi file) or from standard input (.files file). Check the ABINIT documentation for your preferred input method.

See also