【求助】vasp无报错信息，但一直没办法运行

lesliewukong

VASP进行CeO2晶格优化，运行后OUTCAR无报错信息，但是也无能量输出，CONTCAR和OSZICAR也无数据，输入qstat查看任务状态时也是一直卡在35秒左右，过一段时间就自动终止了。附上各参数设置与pbs脚本！！！
SYSTEM=CeO2
ISTART=0
ICHARG=2
PREC=Normal
LREAL=.FALSE.
IBRION=2
ISIF=3
NSW=100
POTIM=0.5
EDIFFG=-0.05
ENCUT=400
ALGO=Fast
ISPIN=2
VOSKOWN=1
NCORE=4
NELM=100
EDIFF=0.1E-04
LWAVE=.FALSE.
LCHARG=.FALSE.
ISMEAR=0
SIGMA=0.2
LDAU=.TURE.
LDAUTYPE=2
LDAUL=-1 3
LDAUU=0 5.5
LDAUJ=0 0.5
LMAXMIX=6
++++++++++++++++
Automatic mesh
0
G
5 5 5
0 0 0
++++++++++++++++
CeO2
1.0
        0.0000000000         2.7030000500         2.7030000000
        2.7030000000         0.0000000500         2.7030000000
        2.7030000500         2.7030000000         0.0000000000
O   Ce
2    1
Direct
     0.250000000         0.250000000         0.250000000
     0.750000000         0.750000000         0.750000000
     0.000000000         0.000000000         0.000000000
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++
PBS脚本部分
#!/bin/bash
#PBS -N vasp
#PBS -l nodes=1:ppn=36
#PBS -q gentai
cd $PBS_O_WORKDIR
NPROCS=`wc -l < $PBS_NODEFILE`
mpirun  -machinefile $PBS_NODEFILE -np $NPROCS  /opt/software/vasp.5.4.4/bin/vasp_std
#mpirun  -machinefile $PBS_NODEFILE -np $NPROCS  /opt/software/vasp.5.4.4/bin/vasp_ncl
#mpirun  -machinefile $PBS_NODEFILE -np $NPROCS  /opt/software/vasp.5.4.4/bin/vasp_gam
#mpirun  -machinefile $PBS_NODEFILE -np $NPROCS  /opt/software/vasp.5.4.4-VTST/bin/vasp_std
#mpirun  -machinefile $PBS_NODEFILE -np $NPROCS  /opt/software/vasp.5.4.4-VTST/bin/vasp_ncl
#mpirun  -machinefile $PBS_NODEFILE -np $NPROCS  /opt/software/vasp.5.4.4-VTST/bin/vasp_gam
#mpirun  -machinefile $PBS_NODEFILE -np $NPROCS  /opt/software/vasp.5.4.4-C/bin/vasp_std
#mpirun  -machinefile $PBS_NODEFILE -np $NPROCS  /opt/software/vasp.5.4.4-C/bin/vasp_ncl
#mpirun  -machinefile $PBS_NODEFILE -np $NPROCS  /opt/software/vasp.5.4.4-C/bin/vasp_gam

hundred_vasp

log文件贴一下啊