NTU eecore: How to enable intel one compiler

登入系統後 打

source /opt/hpc/intel/setvars.sh  

或是在submit slurm job 裡面加上這行

source /opt/hpc/intel/setvars.sh  

舉例來說

#!/bin/bash
#SBATCH --job-name=DFT
#SBATCH --partition=standard
#SBATCH --nodes=1
#SBATCH --ntasks-per-node=64
#SBATCH --cpus-per-task=1
#SBATCH --hint=nomultithread
#SBATCH --mem=300G
#SBATCH --time=40:00:00
#SBATCH --nice=15
#SBATCH --output=/storage/professor/id/DFT/info_${SLURM_JOB_ID}.o
#SBATCH --error=/storage/professor/id/DFT/info_${SLURM_JOB_ID}.e
cd /storage/professor/id/DFT
source /opt/hpc/envset/profile.add
source /opt/hpc/intel/setvars.sh  
export I_MPI_FABRICS=shm
export OMP_NUM_THREADS=1
export FI_PROVIDER=shm
export I_MPI_PIN=1
export I_MPI_PIN_DOMAIN=core
#/opt/hpc/intel/mpi/latest/bin/mpirun -np 72 /opt/hpc/QE-intel-7.4.1/bin/pw.x -in scf.in > scf.out
/opt/hpc/intel/mpi/latest/bin/mpirun -bootstrap slurm -np 64 /opt/hpc/QE-intel-7.4.1/bin/pw.x -in scf.in > scf.out
#srun --mpi=pmi2 /opt/hpc/QE-intel-7.4.1/bin/pw.x -in scf.in > scf.out
wait