The GPAW installations are generally maintained by Peter Larsson.
A sample batch script for running GPAW in parallel with mpprun.
#!/bin/bash #SBATCH -N 1 #SBATCH -t 2:00:00 #SBATCH -J jobname #SBATCH -A SNIC-xxx-yyy module load gpaw/0.9.0.8965 mpprun $GPAW_EXE input.py
(Note that you should edit the jobname and the account number before submitting.)
Before running, you should download a suitable set of PAW setups and tell GPAW where to find them by setting the GPAW_SETUP_PATH variable. For example: