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[求助]
求助:dushin程序輸入文件無(wú)法讀。。!1
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求助各位,急用。。。! 在lunix系統(tǒng)上做頻率文分析時(shí)用到了dushin程序,但是在運(yùn)行的時(shí)候出現(xiàn)的dushin.out文件居然是空的,內(nèi)容如下: Curvilinear flag= 1 Reading file: ./H2O.log 我做的是H2O的一個(gè)例子 在lunix界面上用命令dushin查看后,出錯(cuò)信息為: [liaoy271@quantum h2]$ dushin Enter ifcurve (0=recti, 1=orth curvi, 2=apprx curvi, -1 = skip Reading file: ./H2.log Entering Gaussian System, Link 0=g09 Gaussian format, type: g94, g98, g03= F F F #P hf/3-21g OPT Freq energy type= SCF Original G94 input coords: 1 0.000000 0.000000 0.000000 1 0.000000 0.000000 0.000000 nber atoms= 2 Original standard coords: 1 0.000000 0.000000 0.000000 1 0.000000 0.000000 0.000000 SCF Done: E(UHF) = -0.929606500767 A.U. after 1 cycles 20 37 " -0.929606500767" g94 frequencies= 0.0 0.0 0.0 0.0 0.0 0.0 g94 symmetries= forrtl: severe (64): input conversion error, unit -5, file Internal Formatted Read Image PC Routine Line Source dushin 00000000004C763E Unknown Unknown Unknown dushin 00000000004C5B22 Unknown Unknown Unknown dushin 000000000049F578 Unknown Unknown Unknown dushin 000000000047249A Unknown Unknown Unknown dushin 00000000004720FB Unknown Unknown Unknown dushin 00000000004819D6 Unknown Unknown Unknown dushin 0000000000480E82 Unknown Unknown Unknown dushin 0000000000419A0E Unknown Unknown Unknown dushin 000000000040E13F Unknown Unknown Unknown dushin 000000000040422A Unknown Unknown Unknown libc.so.6 000000378851C40B Unknown Unknown Unknown dushin 000000000040416A Unknown Unknown Unknown 麻煩高手指點(diǎn)一下。 不勝感激 |
SIESTA |
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你好,問(wèn)題是怎么解決的。课以谑褂胹iesta,遇到了類(lèi)似的問(wèn)題 forrtl: severe (64): input conversion error, unit -5, file Internal Formatted Read Image PC Routine Line Source siesta 00000000008E0C8D Unknown Unknown Unknown siesta 00000000008DF795 Unknown Unknown Unknown siesta 000000000087BE60 Unknown Unknown Unknown siesta 000000000082C8FF Unknown Unknown Unknown siesta 000000000082C132 Unknown Unknown Unknown siesta 0000000000848CFD Unknown Unknown Unknown siesta 0000000000846890 Unknown Unknown Unknown siesta 00000000006FB3F7 Unknown Unknown Unknown siesta 00000000004F275C Unknown Unknown Unknown siesta 00000000005AFEAC Unknown Unknown Unknown siesta 0000000000599950 Unknown Unknown Unknown siesta 0000000000596689 Unknown Unknown Unknown siesta 00000000005AF7FB Unknown Unknown Unknown siesta 000000000040924C Unknown Unknown Unknown libc.so.6 0000003C3C01D974 Unknown Unknown Unknown siesta 0000000000409159 Unknown Unknown Unknown 謝謝 |

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鐵桿木蟲(chóng) (著名寫(xiě)手)

鐵桿木蟲(chóng) (著名寫(xiě)手)

鐵桿木蟲(chóng) (著名寫(xiě)手)


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