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分类 共搜索到 16 个相关话题(最多显示前5000个) 作者 最后发表
量子化学 Error termination in NtrErr:NtrErr Called from FileIO....
01LeaveLink801atSunJun3019:37:502019,MaxMem=157286400cpu:0.0(Enterd:\G09W\l1101.exe)Usingcompressedstorage,NAtomX=216.Badlengthforfile.FileIO:IOper=0IFilNo(1)=590Len=-...
 冤big头 2019-06-30 12:37
量子化学 追踪IRC 出现Error termination in NtrErr:NtrErr Called from ...
MaxMem=0cpu:0.0(Enter/home/jy/g09/l101.exe)FileIOoperationonnon-existentfile.FileIO:IOper=2IFilNo(1)=-20502Len=100IPos=4Q=98060672dumping/fiocom/,unit=1NFiles=14SizExt=524288...
 lxc1109 2019-03-23 12:50
量子化学 在优化结构时Error termination in NtrErr:NtrErr Called from ...
WrPntr4190916406782050785198614546818574682220RdPntr419091610093552050785199247246818574682220Length725396867730646327363482Number695698701780989993Base...
 雨蝶飛 2016-09-09 01:06
量子化学 Error termination in NtrErr:NtrErr Called from FileIO.
大家好，刚接触高斯，在优化结构时出错，用的方法是DFTD2，希望大家多多帮忙！不胜感激！下面是出错信息：dumping/fiocom/,unit=3NFiles=1SizExt=524288WInBlk=32768defal=TLstWrd=65536...
 yaohy 2016-01-15 09:02
量子化学 Error termination in NtrErr:NtrErr Called from FileIO....
这是输出文件的最后部分Operationonfileoutofrange.FileIO:IOper=1IFilNo(1)=-526Len=645606IPos=0Q=140049086276936dumping/fiocom/,unit=1NFiles=84SizExt=524288WInBlk=512defal=TLstWrd...
 createdream 2015-11-16 03:04
催化 Error termination in NtrErr:NtrErr Called from FileIO
请问这是什么错误，应该如何修改？这是我的输入文件%chk=1a.chk%mem=4GB%nprocshared=24#B3LYP/genecpOPTfreqiop(5/13=1)iop(2/16=1)Temperature=363.15PB]`L0YQ%PUQ03ZV({J$OGB.png
 腻歪 2015-08-30 12:51
量子化学 Error termination in NtrErr:NtrErr Called from FileIO.
请问这是什么错误PB]`L0YQ%PUQ03ZV({J$OGB.png
 腻歪 2015-08-30 12:39
量子化学 优化中总出错Error termination in NtrErr:NtrErr Called from ...
ErrorterminationinNtrErr:NtrErrCalledfromFileIO.到底是甚么原因？怎摸解决？
 jiangxia0909 2014-12-02 09:29
量子化学 Error termination in NtrErr:NtrErr Called from FileIO....
最近在做激发态优化，可经常出现ErrorterminationinNtrErr:NtrErrCalledfromFileIO.错误，求高人指点！输入文件和输出文件详见附件！
 晓玉儿 2014-11-06 08:19
量子化学 Error termination in NtrErr:NtrErr Called from FileIO....
chk=n10_sp.chk%nproc=8%mem=1GB#B3LYP/6-31G*Geom=(AllCheck,NewRedundant)FreqNoSymmPop=(ESP,NPA)IOp(6/33=2,7/33=1)SCF=Tight有几个chk文件，均可以正常打开（单试一个也是错误），转化...
 836449366 2014-06-08 01:27
量子化学 gaussian报错Error termination in NtrErr:NtrErr Called from ...
MaxMat=0.FileIOoperationonnon-existentfile.FileIO:IOper=2IFilNo(1)=-746Len=0IPos=0Q=140225186157248dumping/fiocom/,unit=1NFiles=72SizExt=524288WInBlk=512defal=TLstWrd=596480...
 Hades_h 2014-04-09 01:20
量子化学 Error termination in NtrErr:NtrErr Called from FileIO.
我是菜鸟，还没入门，但是现在正在做的课题是过渡态研究，以下是我的输入文件和脚本（这是个很简单的算例，但是我一直没法运行，每次提交文件都是出现ErrorterminationinNtrErr:...
 dai_shen844 2012-11-11 06:14
量子化学 Error termination in NtrErr:NtrErr Called from FileIO
Unit=1NFiles=0MaxFFi=10000.FileIO:IOper=9IFilNo(1)=1Len=0IPos=0Q=6216600ErrorterminationinNtrErr:NtrErrCalledfromFileIO.网上查原因为内存不足，我尝试将内存改小为2000MB,1000MB,...
 melody_sara 2011-11-24 02:45
量子化学 Error termination in NtrErr:NtrErr Called from FileIO....
我做一分子动力学模拟的作业，输入文件如下%mem=8GB%nprocshared=8#puffadmp=(stepsize=2000,maxpoints=50)opt01C-3.29066264-0.09035370-0.00118279H-2.75749889-1.01805862-0.00118279H-4...
 kaegi 2011-06-23 07:27
量子化学 Error termination in NtrErr:NtrErr Called from FileIO
04with50functions,increasingthresholdto4.19D+00.NBasis=544RedAO=TNBF=281263NBsUse=104.19D+00NBFU=73Initialguessreadfromtheread-writefile:Operationonfileoutofrange.FileIO:IOper=...
 huangnana 2011-04-01 08:51
量子化学 [求助]Error termination in NtrErr:NtrErr Called from FileIO.... 匿名 2008-04-17 02:46