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liaoshime

金虫 (小有名气)

应助: 14 (小学生)
金币: 1241
散金: 128
红花: 2
帖子: 108
在线: 1107.8小时
虫号: 1404048
注册: 2011-09-16
性别: GG
专业: 化学反应工程

[求助] 石墨烯来量子点运行出问题

我是VASP的菜鸟，刚开始学习。刚开始是模仿别人的例子在算，这些天开始自己算，我算的是一个石墨烯量子点，但是好像运行不了（OSZICAR里面什么也没有），vasp.out 出现一行字：
mpirun noticed that process rank 0 with PID 29959 on node node3 exited on signal 9 (Killed)。其他输出文件也是只有前面几行，大家帮我看看是怎么回事。
INCAR:
general:
SYSTEM = gqds
ENCUT  = 450
  ISTART = 0
  ICHARG = 2
ISMEAR =  -5
ISPIN=2
LREAL= Auto


POSCAR:
gqds
1.0
   31.0699996948       0.0000000000       0.0000000000
      0.0000000000       29.2318000793       0.0000000000
      0.0000000000       10.0000000000       17.3205080757
   33
Direct
   0.039590001       0.315809995       0.000000000
   0.118759997       0.315809995       0.000000000
   0.197940007       0.315809995       0.000000000
   0.277119994       0.315809995       0.000000000
   0.158350006       0.000000000       0.000000000
   0.197940007       0.024289999       0.000000000
   0.118759997       0.072880000       0.000000000
   0.118759997       0.024289999       0.000000000
   0.197940007       0.072880000       0.000000000
   0.237529993       0.097170003       0.000000000
   0.079180002       0.145760000       0.000000000
   0.079180002       0.097170003       0.000000000
   0.158350006       0.145760000       0.000000000
   0.158350006       0.097170003       0.000000000
   0.237529993       0.145760000       0.000000000
   0.277119994       0.170049995       0.000000000
   0.039590001       0.218640000       0.000000000
   0.039590001       0.170049995       0.000000000
   0.118759997       0.218640000       0.000000000
   0.118759997       0.170049995       0.000000000
   0.197940007       0.218640000       0.000000000
   0.197940007       0.170049995       0.000000000
   0.277119994       0.218640000       0.000000000
   0.316700011       0.242929995       0.000000000
   0.000000000       0.291520000       0.000000000
   0.000000000       0.242929995       0.000000000
   0.079180002       0.291520000       0.000000000
   0.079180002       0.242929995       0.000000000
   0.158350006       0.291520000       0.000000000
   0.158350006       0.242929995       0.000000000
   0.237529993       0.291520000       0.000000000
   0.237529993       0.242929995       0.000000000
   0.316700011       0.291520000       0.000000000

KPOINTS:
K-Points
0
Monkhorst-Pack
11 11 1
0 0 0

[ Last edited by liaoshime on 2013-4-24 at 09:20 ]

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