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岳丽丽75

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[求助] 求解高斯906错误

出现以下906错误怎么解决呢
**** Warning!!: The largest alpha MO coefficient is  0.12266772D+03

Leave Link  801 at Wed Oct  8 17:17:50 2014, MaxMem= 1879048192 cpu:    5.5
(Enter /opt/soft/g09/l906.exe)
FulOut=F Deriv=F AODrv=F NAtomX= 38
MMem=       21  MDisk=       49 MDiskD=          7
  W3Min= 86011464 MinDsk= 88711197 NBas6D=       1464
NBas2D=    1075701 NTT=    1072380 LW2=    2000000
MDV=  1872298710 MDiskM=       6387 NBas2p=    843345
Fully direct method using O(OVN) memory.
IMap= 1 2 3 4 5 6 7 8 9  10  11  12  13  14  15  16  17  18  19  20
IMap=  21  22  23  24  25  26  27  28  29  30  31  32  33  34  35  36  37  38  39  40
IMap=  41  42  43  44  45  46  47  48  49
JobTyp=1 Pass  1:  I= 1 to 2 NPSUse=  8 ParTrn=T ParDer=T DoDerP=F.
JobTyp=1 Pass  2:  I= 3 to 4 NPSUse=  8 ParTrn=T ParDer=T DoDerP=F.
JobTyp=1 Pass  3:  I= 5 to 6 NPSUse=  8 ParTrn=T ParDer=T DoDerP=F.
JobTyp=1 Pass  4:  I= 7 to 9 NPSUse=  8 ParTrn=T ParDer=T DoDerP=F.
               PickT4: no shell combinations can fit!
NKLS2p=       1337 NKLS2=       1337 MaxCom=       1226
Error termination via Lnk1e in /opt/soft/g09/l906.exe at Thu Oct  9 01:41:56 2014.
Job cpu time:  4 days 20 hours 25 minutes 40.1 seconds.
File lengths (MBytes):  RWF= 908 Int=    0 D2E=    0 Chk=    25 Scr=    2

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