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毛毛虫_

银虫 (小有名气)

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在线: 126.4小时
虫号: 1883594
注册: 2012-07-08
性别: MM
专业: 理论和计算化学

[求助] gauss服务器计算出现溢出，L1110错误，求助

输入文件如下：

%mem=4000MB
%nprocshared=12
%chk=1.chk
#p opt freq b3lyp/gen  pseudo=read scf(maxcycle=80,xqc)

Title Card Required

-1 7
C                -0.05527800 1.56769400 -3.95660800
C                1.60055300 2.91889100 -2.80144100
C                0.25103300 2.76341900 -3.24515100
C                0.88742100 0.49194800 -4.05703100
C                2.54778300 1.84709300 -2.89779700
C                2.18544900 0.60700200 -3.49158000
C                -1.36452600 0.96583700 -3.85803600
C                1.89920400 3.63332000 -1.58683000
C                0.15851400 -0.76164800 -3.99640600
C                3.41653000 1.89152500 -1.73665900
C                -0.81920400 3.42279200 -2.48032200
C                2.77533500 -0.58581200 -2.94194300
C                -1.24161200 -0.45891100 -3.81584000
C                2.96600400 2.96990500 -0.88975300
C                -2.36945000 1.57863600 -3.13505800
C                0.89676800 4.25749700 -0.86484800
C                -2.11658400 2.83236500 -2.46306800
C                -0.47675600 4.19008600 -1.32813600
C                2.08664000 -1.83939900 -2.92775200
C                3.67333200 -0.55028700 -1.82844800
C                0.72479400 -1.90842800 -3.40288400
C                3.94151600 0.70658000 -1.17099200
C                -2.09090400 -1.23824600 -2.97114100
C                2.95840400 2.86217100 0.53227000
C                -3.28969400 0.79606200 -2.35483200
C                0.92026800 4.24997900 0.57011700
C                -2.96719600 2.87932900 -1.30784900
C                -1.32517300 4.23775100 -0.17633200
C                2.59847600 -2.64211800 -1.83489100
C                3.60779900 -1.82092400 -1.13367400
C                -0.15392900 -2.78611000 -2.70216300
C                4.10187700 0.66162700 0.24134500
C                -3.14636600 -0.59585500 -2.21096500
C                1.87912100 3.48375300 1.30182000
C                -3.74491400 1.66635200 -1.28335800
C                -0.45507700 4.32916500 0.98763800
C                -2.55231400 3.53046000 -0.10701800
C                -1.52881700 -2.46982700 -2.49383100
C                3.62025700 1.71992300 1.08126100
C                1.69210700 -3.52507500 -1.11246200
C                3.75259700 -1.85344700 0.31359300
C                0.32764100 -3.54861900 -1.56232000
C                3.97663400 -0.58793600 0.96250900
C                -1.93360200 -3.03560500 -1.23004400
C                3.22084100 1.15172900 2.33307500
C                -2.96476300 2.94436600 1.17732600
C                -4.11805600 1.09619700 -0.08132000
C                -0.84142000 3.78720000 2.18721100
C                -3.82896100 -1.31345400 -0.99528900
C                1.46706400 2.90271500 2.58293400
C                -0.79946900 -3.71494800 -0.67079300
C                3.44703600 -0.26146100 2.27314400
C                1.90161400 -3.62540700 0.32451500
C                2.91129800 -2.80407400 1.02468100
C                -3.76165900 1.76906100 1.16949100
C                -2.12525600 3.11623100 2.31220400
C                -4.16786100 -0.30953700 0.10598700
C                0.12959300 3.13444000 3.02885500
C                -2.92557300 -2.44305300 -0.40985000
C                2.13415200 1.69973500 3.08633700
C                -0.60737200 -3.79521900 0.73374200
C                2.60390600 -1.17696900 2.96251400
C                0.75491500 -3.72332900 1.20566700
C                2.33837400 -2.43231400 2.30398300
C                -3.60660000 0.74920400 2.14392400
C                -1.96693200 2.09140600 3.29377300
C                -3.88242100 -0.52150800 1.47272300
C                -0.59782500 2.15282500 3.77990900
C                -2.79331800 -2.64555800 0.98152900
C                1.41514300 0.78660600 3.90970100
C                1.04213200 -3.02824100 2.42088200
C                -2.65225200 0.84491600 3.19724200
C                -1.63295200 -3.28628700 1.55856500
C                1.61390700 -0.64159800 3.82094200
C                -3.25459700 -1.67267400 1.94276400
C                0.02626800 0.99629700 4.21047300
C                0.00572800 -2.45799800 3.24318600
C                -1.33585800 -2.63107800 2.81127900
C                0.32507500 -1.28323800 3.97686900
C                -1.98359600 -0.37499300 3.66625500
C                -2.32730400 -1.61237400 3.03361700
C                -0.66710100 -0.26899200 4.19983000
Gd                1.40295900 -1.26032600 -0.17586200
O                -5.00884700 -1.92091200 -1.63096200
O                -5.78590800 -2.60492100 -0.60811600
H                -5.29472600 -3.44173700 -0.53800700

C H O 0
3-21G
****
Gd 0
CEP-121G
****

Gd 0
CEP-121G

输出文件出错行如下：
Symmetry not used in FoFCou.
FMM levels:  10  Number of levels for PrismC: 9

                           -------------------
                           The (ff|ff) Classes
Not enough memory for any path:
MxKBra= 25 MxKKet= 25 Memory= 11568222.
After MaxDer, Avail=FFFFFFFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After MemPth, Avail=FFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFF
After MxKxxx, Avail=FFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFF
After UseAlp/DoOS, Avail=FFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFF
No path selected in FillAv.
Error termination via Lnk1e in /panfs/panfs.ihep.ac.cn/home/lhc/nano/PROG//g09/l1110.exe at Sun Jan 13 11:13:12 2013.
Job cpu time:  0 days  0 hours 38 minutes 34.6 seconds.
File lengths (MBytes):  RWF= 1875 Int=    0 D2E=    0 Chk=    95 Scr=

怎么办呢？尝试过将%mem改大，但是还是这样的错误，应该怎么解决呢

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