#!/bin/bash -l
#SBATCH -N 1
#SBATCH -p regular
#SBATCH -t 30:00
#SBATCH -C haswell
#SBATCH -A m1759
#SBATCH --reservation=vaspdemo1   #for 11/9 
##SBATCH --reservation=vaspdemo2   #for 11/10 
##SBATCH --reservation=vaspdemo2   #for 11/11 


export OMP_NUM_THREADS=4
export OMP_PROC_BIND=spread
export OMP_PLACES=threads

module use ~usgsw/modulefiles
module load vasp/hsw

export vasp_std="srun -n 4 -c 16 --cpu_bind=cores /global/homes/u/usgsw/vasp/20161102/hsw/intel/bin/vasp_std"