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[求助] vasp 计算raman求助

我用这个网址https://github.com/raman-sc/VASP计算raman时，重复例子时出现下面的错误

Raman off-resonant activity calculator,
using VASP as a back-end.

Contributors: Alexandr Fonari  (Georgia Tech)
               Shannon Stauffer (UT Austin)
MIT License, 2013
URL: http://raman-sc.github.io
Started at: 2019-10-22 09:07

[__main__]: VASP_RAMAN_RUN='time mpirun -np $NP -machinefile $PBS_NODEFILE --mca btl self,sm,openib --bind-to-core $/public/software/vasp/5.2.12/openmpi/intel/vasp >> test.out'
[__main__]: VASP_RAMAN_PARAMS='01_21_2_0.01'
[[4.7828934262654972, 4.7828934262654972, 4.7828934262654972], [4.7828934262654972, 2.0498114683994988, 2.0498114683994988], [2.0498114683994988, 4.7828934262654972, 2.0498114683994988], [2.0498114683994988, 2.0498114683994988, 4.7828934262654972], [0.6832704894664996, 0.6832704894664996, 0.6832704894664996], [0.6832704894664996, 3.416352447332498, 3.416352447332498], [3.416352447332498, 0.6832704894664996, 3.416352447332498], [3.416352447332498, 3.416352447332498, 0.6832704894664996]]

[__main__]: Mode #1: frequency 504.5795270 cm-1; norm:  0.1886973
[__main__]: File OUTCAR.0001.-1.out not found, preparing displaced POSCAR
[__main__]: Running VASP...
[__main__]: File OUTCAR.0001.+1.out not found, preparing displaced POSCAR
[__main__]: Running VASP...
[__main__]: ERROR Couldn't find OUTCAR file, exiting...
每次都说找不到OUCAR
我的提交脚本类比例子中的
#!/bin/bash
#
#PBS -l nodes=1:ppn=16
#PBS -l walltime=300:00:00
#PBS -N USPEXvariation
#PBS -q blade_x
#PBS -j oe
#PBS -V
source /public/software/profile.d/compiler_intel-composer_xe_2016.3.210.sh
source /public/software/profile.d/mpi_openmpi-1.6.5-intel.sh
#The program we want to execute (modify to suit your setup)
#EXEC=/public/software/vasp/5.2.12/openmpi/intel/vasp
#setup hostfile
echo "host: "
#cat $PBS_JOBID-$PBS_JOBCOOKIE.hosts
echo "--------Begin-------------------------------------------"
#This jobs working directory
echo Working directory is $PBS_O_WORKDIR
#go to work dir
cd $PBS_O_WORKDIR
echo "Beginning time is: "
echo Time is `date`
echo Directory is `pwd`
NP=`cat $PBS_NODEFILE|wc -l`
echo "Numbers of Processors:  $NP"
echo "---------------------------------------------------"
#running
ulimit -s unlimited  # remove limit on stack size

export VASP_RAMAN_RUN='time mpirun -np $NP -machinefile $PBS_NODEFILE --mca btl self,sm,openib --bind-to-core $/public/software/vasp/5.2.12/openmpi/intel/vasp >> test.out'
export VASP_RAMAN_PARAMS='01_21_2_0.01'

python vasp_raman.py > vasp_raman.out
#time mpirun -np $NP -machinefile $PBS_NODEFILE --mca btl self,sm,openib --bind-to-core $EXEC >> test.out

#clean
echo "--------Finish-------------------------------------------"
echo "Finishing time is: "
echo Time is `date`
echo "--------Finish-------------------------------------------"
也不知道哪里出问题了，谢谢指导

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