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monkeylove

木虫 (正式写手)

[求助] 算了好几天,一查看run.log出现这样的问题,求大神指教

tail run.log:
mpirun: killing job...

--------------------------------------------------------------------------
mpirun noticed that process rank 0 with PID 913 on node node22 exited on signal 0 (Unknown signal 0).
--------------------------------------------------------------------------
mpirun: abort is already in progress...hit ctrl-c again to forcibly terminate

mpirun: clean termination accomplished

8 total processes killed (some possibly by mpirun during cleanup)
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monkeylove

木虫 (正式写手)

INCAR设置如下
PREC=Normal
ENCUT=400
ISMEAR=0
SIGMA=0.05
ALGO=Fast
IBRION=2
NSW=120
NELM=200
EDIFF=1E-5
EDIFFG=-0.05
LWAVE=.False.
ISPIN=2
LREAL=Auto
ISYM=0
IDIPOL=3
ICHARG=1
MAGMOM= 12*0 12*0 36*0
NUPDOWN= 0
2楼2015-06-19 09:23:03
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monkeylove

木虫 (正式写手)

3楼2015-06-19 10:00:49
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skplin

铜虫 (小有名气)

引用回帖:
2楼: Originally posted by monkeylove at 2015-06-19 09:23:03
INCAR设置如下
PREC=Normal
ENCUT=400
ISMEAR=0
SIGMA=0.05
ALGO=Fast
IBRION=2
NSW=120
NELM=200
EDIFF=1E-5
EDIFFG=-0.05
LWAVE=.False.
ISPIN=2
LREAL=Auto
ISYM=0
IDIPOL=3
ICHARG=1
MAGMOM=  ...

大神,分子动力学过后用静态计算吗?
4楼2016-04-28 08:31:15
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monkeylove

木虫 (正式写手)

引用回帖:
4楼: Originally posted by skplin at 2016-04-28 08:31:15
大神,分子动力学过后用静态计算吗?...

我不做分子动力学额、、我的是第一性原理、、

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5楼2016-04-28 23:17:28
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