#!/bin/sh
#
#BSUB -q smallopa
#BSUB -o %J.log -e %J.err
#BSUB -n 28

module purge
module load intel/2018.update3 intelmpi/2018.update3 mkl/2018.update3

export OMP_NUM_THREADS=1

mpirun /home/nic/liuxiaoh/code/v2.1.0_pre-release/code_compile-test/ABACUS.2.1.0/bin/ABACUS.mpi.2.1.0