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wangting17

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虫号: 4895653
注册: 2016-08-04
专业: 凝聚态物性I:结构、力学和

[求助] 高斯计算错误，如何修改

**** Warning!!: The smallest alpha delta epsilon is  0.12636978D-01

Leave Link  801 at Thu Aug  4 12:09:45 2016, MaxMem= 6710886400 cpu:    1.2
(Enter /opt/soft/g09/linda-exe/l1101.exel)
Using compressed storage, NAtomX= 264.
Will process 265 centers per pass.
PrsmSu:  requested number of processors reduced to: 3 ShMem 2 Linda.
Tuple error for IPart=-1 tuple: Results -- FocDA expected length1773905760 found length 163293024
Error termination in TplErr.
Error termination via Lnk1e in /opt/soft/g09/linda-exe/l1101.exel at Thu Aug  4 12:10:23 2016.
Job cpu time:  0 days  0 hours  2 minutes 29.6 seconds.
File lengths (MBytes):  RWF=  15920 Int=    0 D2E=    0 Chk=    69 Scr=    1
failed to open execfile
不知道哪里错了，总是这个错误该如何修改呢？

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