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yanxiaomi688

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[交流] 【求助】G09 没有优化，直接算频率时出错已有6人参与

用G09算频率时出现2070错误  输出文件最后显示的是：
FullF1:  Do perturbations 4 to    6.
FullF1:  Do perturbations 7 to    9.
FullF1:  Do perturbations 10 to 12.
FullF1:  Do perturbations 13 to 15.
FullF1:  Do perturbations 16 to 18.
FullF1:  Do perturbations 19 to 21.
FullF1:  Do perturbations 22 to 24.
FullF1:  Do perturbations 25 to 27.
FullF1:  Do perturbations 28 to 30.
FullF1:  Do perturbations 31 to 33.
FullF1:  Do perturbations 34 to 36.
FullF1:  Do perturbations 37 to 39.
FullF1:  Do perturbations 40 to 42.
FullF1:  Do perturbations 43 to 45.
FullF1:  Do perturbations 46 to 48.
FullF1:  Do perturbations 49 to 51.
FullF1:  Do perturbations 52 to 54.
FullF1:  Do perturbations 55 to 57.
FullF1:  Do perturbations 58 to 60.
FullF1:  Do perturbations 61 to 63.
FullF1:  Do perturbations 64 to 66.
FullF1:  Do perturbations 67 to 69.
FullF1:  Do perturbations 70 to 72.
FullF1:  Do perturbations 73 to 75.
FullF1:  Do perturbations 76 to 78.
FullF1:  Do perturbations 79 to 81.
FullF1:  Do perturbations 82 to 84.
FullF1:  Do perturbations 85 to 87.
FullF1:  Do perturbations 88 to 90.
FullF1:  Do perturbations 91 to 93.
FullF1:  Do perturbations 94 to 96.
FullF1:  Do perturbations 97 to 99.
FullF1:  Do perturbations  100 to 102.
FullF1:  Do perturbations  103 to 105.
FullF1:  Do perturbations  106 to 108.
FullF1:  Do perturbations  109 to 111.
FullF1:  Do perturbations  112 to 114.
FullF1:  Do perturbations  115 to 117.
FullF1:  Do perturbations  118 to 120.
FullF1:  Do perturbations  121 to 123.
FullF1:  Do perturbations  124 to 126.
FullF1:  Do perturbations  127 to 129.
FullF1:  Do perturbations  130 to 132.
FullF1:  Do perturbations  133 to 135.
FullF1:  Do perturbations  136 to 138.
FullF1:  Do perturbations  139 to 141.
FullF1:  Do perturbations  142 to 144.
FullF1:  Do perturbations  145 to 147.
FullF1:  Do perturbations  148 to 150.
FullF1:  Do perturbations  151 to 153.
FullF1:  Do perturbations  154 to 156.
FullF1:  Do perturbations  157 to 159.
FullF1:  Do perturbations  160 to 162.
FullF1:  Do perturbations  163 to 165.
Isotropic polarizability for W= 0.000000    1519.16 Bohr**3.
Out-of-memory error in routine P1F1B2 (IEnd=    39366000 MxCore=    33528697)
Use %mem=38MW to provide the minimum amount of memory required to complete this step.
Error termination via Lnk1e in D:\G09W\l1002.exe at Thu Jan 13 12:13:45 2011.
Job cpu time: 13 days 18 hours 32 minutes 23.0 seconds.
File lengths (MBytes):  RWF=  15810 Int=    0 D2E=    0 Chk=    41 Scr=    1

多谢各位大侠指教！！！

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1楼2011-01-13 14:22:49

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greta2009

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小木虫: 金币+0.5, 给个红包，谢谢回帖

我想楼主之所以没有优化就算频率，可能是把优化和频率分开算，应该是在已经优化好的构型上直接算频率。

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9楼2012-05-12 08:39:17

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lihb734

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小木虫(金币+0.5):给个红包，谢谢回帖交流

Out-of-memory error in routine P1F1B2 (IEnd= 39366000 MxCore= 33528697)
Use %mem=38MW to provide the minimum amount of memory required to complete this step
楼主自己不看问题的吗？
真悲剧，都算了快14days

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前途光明，出路难觅！