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phys_lobster

新虫 (初入文坛)

应助: 0 (幼儿园)
金币: 5
帖子: 1
在线: 40分钟
虫号: 2767259
注册: 2013-10-31
专业: 凝聚态物性 II ：电子结构

[求助] VASP错误信息: This process did not call "init" before exiting

我运行VASP时，没有执行，VASP就自动中断，并给出以下信息:
--------------------------------------------------------------------------
mpirun has exited due to process rank 0 with PID 19280 on
node node22 exiting improperly. There are two reasons this could occur:

1. this process did not call "init" before exiting, but others in
the job did. This can cause a job to hang indefinitely while it waits
for all processes to call "init". By rule, if one process calls "init",
then ALL processes must call "init" prior to termination.

2. this process called "init", but exited without calling "finalize".
By rule, all processes that call "init" MUST call "finalize" prior to
exiting or it will be considered an "abnormal termination"

This may have caused other processes in the application to be
terminated by signals sent by mpirun (as reported here).
--------------------------------------------------------------------------

会是什么问题呢？
以下是我的INCAR, KPOINT and POSCAR file内容
---------------------------INCAR-----------------------------------
SYSTEM = TlBiTe2
ENCUT = 300
ISTART = 0
ICHARG = 0
ISMEAR = 0; SIGMA = 0.1

EDIFF = 1E-6
EDIFFG = -1E-4
PREC = High
---------------------------KPOINTS-----------------------------------
auto
0
G
40 40 40
0.0 0.0 0.0
---------------------------POSCAR-----------------------------------
TlBiTe2
1.0000000000 ! a=4.527 c=22.118
2.236500 0.000000 29.49066 !r=0.5a=2.2365 z=4c/3=29.49066
-1.131750 1.960249 29.49066
-1.131750 -1.960249 29.49066

Tl Bi Te
1 1 2
Direct
0.00 0.00 0.00
0.50 0.50 0.50
0.25 0.25 0.25
-0.25 -0.25 -0.25
--------------------------------------------------------------------------
希望各位帮助我解惑
非常感谢各位!

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