PARATEC is a parallel, plane-wave basis, density functional theory (DFT) code developed at Berkeley. PARATEC is one of the DFT packages supported by the BerkeleyGW code. PARATEC supports many traditional DFT features and exchange-correlation functionals. PARATEC uses norm-conserving pseudopotentials that can be generated with the FHI pseudopotential program.
NERSC provides modules for PARATEC.
module avail command to see what versions are available:
nersc$ module avail paratec
See the example jobs page for additional examples and information about jobs.
#!/bin/bash #SBATCH --qos=regular #SBATCH --time=01:00:00 #SBATCH --nodes=2 #SBATCH --ntasks-per-node=32 #SBATCH --cpus-per-task=2 #SBATCH --constraint=haswell module load paratec srun paratec.mpi
If after consulting with the above you believe there is an issue with the NERSC module, please file a support ticket.