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wangting17新蟲 (初入文壇)
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[求助]
高斯計算錯誤,如何修改
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**** 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 不知道哪里錯了,總是這個錯誤 該如何修改呢? ![]() |
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