[交流] 利用VASP进行收敛性测试，循环计算中途停止问题

本人刚刚开始接触VASP，想测试FCC Ni的截断能，但是提交任务后程序总是中途停止，想请各位大侠帮忙看看问题出在哪里。下面是相关的输入文件：
1、POSCAR
FCC Ni
1.0
3.5299999714       0.0000000000       0.0000000000
0.0000000000       3.5299999714       0.0000000000
0.0000000000       0.0000000000       3.5299999714
4
Direct
0.000000000       0.000000000       0.000000000
0.000000000       0.500000000       0.500000000
0.500000000       0.000000000       0.500000000
0.500000000       0.500000000       0.000000000

2、KPOINTS （由于是先测试ENCUT，所以KPOINTS设定了一个相对较大的值）
Automatic
0
Monkhorst-Pack
25 25 25
0 0 0

3、POTCAR
POTCAR是根据User's Guide第10章中给出的推荐值

4、INCAR
这里的INCAR文件使用PBS脚本文件代替
#PBS -l nodes=2:ppn=8

NPROC=`wc -l $PBS_NODEFILE|cut -f1 -d" "`

cd $PBS_O_WORKDIR
for a in 250 300 350 400 450 500 550 600 650 700 750 800
do
rm -f WAVECAR
cat >INCAR<<!
SYSTEM = FCC Ni
ISTART = 0; ICHARG = 2
ENCUT = $a
PREC = Accurate
ISMEAR = -5
NSW = 0; IBRION = -1
ISPIN = 2
!
echo a=$a
/public/software/mpi/openmpi1.3.4-intel/bin/mpirun -mca btl openib,self -np $NPROC /public/software/vasp/vasp-openmpi-ifort
E=`tail -1 OSZICAR`
echo $a $E>>result
done

现在的问题是提交任务之后程序会运行一段时间，但是过一会就停止了，并没有跑完所有设定的循环值，WAVECAR为0K，并给出下面的提示：
a=300
running on 16 nodes
distr:  one band on 1 nodes, 16 groups
vasp.4.6.28 25Jul05 complex
POSCAR found :  1 types and 4 ions
LDA part: xc-table for Pade appr. of Perdew
POSCAR, INCAR and KPOINTS ok, starting setup
FFT: planning ...          1
reading WAVECAR
entering main loop
   N    E                   dE          d eps    ncg    rms       rms(c)
16 total processes killed (some possibly by mpirun during cleanup)

另一个输出文件给出这样的信息
=>> PBS: job killed: walltime 3641 exceeded limit 3600
mpirun: killing job...

--------------------------------------------------------------------------
mpirun noticed that process rank 0 with PID 20528 on node node13 exited on signal 0 (Unknown signal 0).
--------------------------------------------------------------------------
mpirun: clean termination accomplished

我在这里纠结一天多了，连个截断能都没算出来，还请各位大侠帮忙找找问题啊~

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