[交流] 【求助】vasp错误，求助

running on 12 nodes
distr:  one band on 1 nodes, 12 groups
vasp.5.2.2 15Apr09 complex
POSCAR found :  3 types and  130 ions

-----------------------------------------------------------------------------
|                                                                            |
|  ADVICE TO THIS USER RUNNING 'VASP/VAMP' (HEAR YOUR MASTER'S VOICE ...):  |
|                                                                            |
|    You have a (more or less) 'large supercell' and for larger cells    |
|    it might be more efficient to use real space projection operators    |
|    So try LREAL= Auto  in the INCAR file.                            |
|    Mind: If you want to do a very accurate calculations keep the       |
|    reciprocal projection scheme       (i.e. LREAL=.FALSE.)          |
|                                                                            |
-----------------------------------------------------------------------------

LDA part: xc-table for Pade appr. of Perdew
POSCAR, INCAR and KPOINTS ok, starting setup
FFT: planning ...(          3 )
reading WAVECAR
entering main loop
   N    E                   dE          d eps    ncg    rms       rms(c)
rank 11 in job 1  node03_42507 caused collective abort of all ranks
  exit status of rank 11: killed by signal 11
rank 8 in job 1  node03_42507 caused collective abort of all ranks
  exit status of rank 8: killed by signal 11
rank 5 in job 1  node03_42507 caused collective abort of all ranks
  exit status of rank 5: killed by signal 11
rank 2 in job 1  node03_42507 caused collective abort of all ranks
  exit status of rank 2: killed by signal 11

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1楼 2010-12-21 12:31:36

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以下是INCAR文件
SYSTEM = liCoSb
ENCUT = 320
ISMEAR = 1; SIGMA = 0.02
NSW = 100
IBRION = 2
ISIF = 3
EDIFF = 1E-4
PREC = Accurate
ISTART = 0 ; ICHARG=2
LWAVE = .FALSE.
LCHARG = .FALSE.
NSIM=6
NPAR=1
PSTRESS = 40