PARATEC

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.

Use the module avail command to see what versions are available:

nersc$ module avail paratec

Example

See the example jobs page for additional examples and information about jobs.

Cori

#!/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

Support

Tip

If after consulting with the above you believe there is an issue with the NERSC module, please file a support ticket.