linux下执行gauss的脚本文件,求脚本:同时向n个nodes提交并执行当前目录下所有Gaussian输入文件...

#以Gaussian 09算例test0397.com为例

#p rb3lyp/3-21g force test scf=novaracc

Gaussian Test Job 397:

Valinomycin force

0,1

O,-1.3754834437,-2.5956821046,3.7664927822

O,-0.3728418073,-0.530460483,3.8840401686

O,2.3301890394,0.5231526187,1.7996834334

O,0.2842272248,2.5136416005,-0.2483875054

O,2.3870396194,3.3004808604,0.2860546915

O,3.927241841,1.9677029583,-2.7261655162

O,2.2191878407,-1.0673859692,-2.0338343532

O,4.209257915,-1.2459024314,-3.1616013359

O,1.7622263124,-1.2194205092,-5.8516071343

O,1.0363626567,3.1095923678,-3.7084594295

O,0.2486786219,0.966590651,-3.8828785542

O,-2.5586288262,-0.0906355161,-1.9360823389

O,-0.3281133832,-2.3890727819,0.2344263336

O,-2.5477902348,-2.7229175024,-0.3031393926

O,-4.0757267469,-1.3447726939,2.6835032327

O,-2.3868733356,1.5948772132,2.0301059396

O,-4.4171554379,1.7868225222,3.0783858169

O,-1.8794297883,1.8779782679,5.6765784928

N,-3.0588831817,0.1247647447,4.7515865218

H,-3.7217895258,-0.2112533521,4.0400661933

N,0.434895721,1.5488667936,2.5433605389

H,-0.5356985537,1.4584897399,2.8399868362

N,3.5951871925,1.0866639703,-0.6388616074

H,3.150815621,1.1234668547,0.2902252557

N,2.8974821578,0.4792131326,-4.7777248786

H,3.5601691499,0.7772149069,-4.0510064151

N,-0.5792093305,-1.0957594197,-2.5021420114

H,0.4107776654,-0.9768813118,-2.724201354

N,-3.7548931105,-0.5444789386,0.5689859923

H,-3.3316431001,-0.6218076155,-0.3685537885

C,-2.1955037942,-0.8975608

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