标题: 使用VASP-NEB找过渡态报错 [打印本页] 作者Author: shutaowang 时间: 2020-4-7 16:59 标题: 使用VASP-NEB找过渡态报错 distrk: each k-point on 8 cores, 1 groups
distr: one band on 2 cores, 4 groups
using from now: 01/INCAR
vasp.5.4.4.18Apr17-6-g9f103f2a35 (build Nov 27 2019 14:39:58) complex
POSCAR found type information on POSCAR Pt O H C
01/POSCAR found : 4 types and 77 ions
scaLAPACK will be used
LDA part: xc-table for Pade appr. of Perdew
POSCAR found type information on POSCAR Pt O H C
00/POSCAR found : 4 types and 77 ions
POSCAR found type information on POSCAR Pt O H C
05/POSCAR found : 4 types and 77 ions
Jacobian: 27.6085901631117
POSCAR, INCAR and KPOINTS ok, starting setup
FFT: planning ...
WAVECAR not read
entering main loop
N E dE d eps ncg rms rms(c)
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= BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
= RANK 0 PID 23599 RUNNING AT node1
= KILLED BY SIGNAL: 9 (Killed)