#PBS -l nodes=1:ppn=1
#PBS -N ArXIVmrcc
#PBS -q batch 
#PBS -j oe 
#PBS -l walltime=60:00:00:00


# run the job
 cd $PBS_O_WORKDIR

 NP=`cat $PBS_NODEFILE | wc -l`

 echo Job starts at `date`
 echo This jobs is $PBS_JOBID@$PBS_QUEUE 

#!/bin/bash
#
 MRCC=/public/home/ymyu/soft/MRCC2015
 export PATH=$PATH:/public/home/ymyu/soft/MRCC2015

 export OMP_NUM_THREADS=10

 ulimit -s unlimited
 export OMP_STACKSIZE=6144M

# $MRCC/dirac_mointegral_export

 OUT=Ar.out
 $MRCC/dmrcc >>$OUT