#!/bin/bash
#SBATCH --nodes=1
#SBATCH --ntasks-per-node=6    # Cores per node
#SBATCH --partition=X2         # Queue Name
#SBATCH --mem=8G
#SBATCH --job-name=TBtrans
#SBATCH --time=90-12:34        # Runtime: Day-HH:MM
#SBATCH -o sms.%N.%j.out       # STDOUT
#SBATCH -e sms.%N.%j.err       # STDERR
##
##SBATCH --mail-type=END,FAIL
##SBATCH --mail-user=email@kaist.ac.kr


export OMP_NUM_THREADS=1
TS_BIN="NONE"; TBT_BIN="NONE"

INP_DIR="input"
OUT_DIR="OUT_tbtrans"
RUN_FDF="RUN.fdf"

RUNBIN="/home/class/2026_SeungHo/Tutorial_new/siesta_build/siesta-4.1.5/Obj/siesta"

NPROCS="${SLURM_NTASKS}"
basedir="${SLURM_SUBMIT_DIR}"
runlog="cal.node"

cd ${basedir}


mkdir -p ${OUT_DIR}

# input 전체를 OUT으로 복사
cp -a ${INP_DIR}/. ${OUT_DIR}/


cd ${basedir}/${OUT_DIR}

tbtrans ${RUN_FDF} > stdout.txt

OUTSTR=`tail -1 stdout.txt | awk '{printf $2}'`
