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baxialily

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[交流] 【求助】Gaussian03算到这就算不下去了，怎么回事阿

我算到这里就算不下去了，怎么回事？
End of Minotr Frequency-dependent properties file 721 does not exist.
Symmetrizing basis deriv contribution to polar:
IMax=3 JMax=2 DiffMx= 0.00D+00
G2DrvN: will do  146 centers at a time, making 1 passes doing MaxLOS=1.
FoFDir/FoFCou used for L=0 through L=1.
      Differentiating once with respect to electric field.
            with respect to dipole field.
      Differentiating once with respect to nuclear coordinates.
FoFCou: FMM=T IPFlag=          0 FMFlag=    100000 FMFlg1=       8193
NFxFlg=          0 DoJE=F BraDBF=F KetDBF=F FulRan=T.
Symmetry not used in FoFCou.
FMM levels:  10  Number of levels for PrismC: 9
Number of processors reduced from  2 to  1 for far-field.
PrismC:  NFx=    2048 NFxT=       11 NFxU=       10.
PrismC:  NFx=    2048 NFxT=       11 NFxU=       10.
      There are 438 degrees of freedom in the 1st order CPHF.
435 vectors were produced by pass  0.
AX will form 435 AO Fock derivatives at one time.
Number of processors reduced from  2 to  1 for far-field.
PrismC:  NFx=    2048 NFxT=       11 NFxU=       11.
PrismC:  NFx=    2048 NFxT=       11 NFxU=       11.
435 vectors were produced by pass  1.
Number of processors reduced from  2 to  1 for far-field.
PrismC:  NFx=    2048 NFxT=       11 NFxU=       11.
PrismC:  NFx=    2048 NFxT=       11 NFxU=       11.
435 vectors were produced by pass  2.
Number of processors reduced from  2 to  1 for far-field.
PrismC:  NFx=    2048 NFxT=       11 NFxU=       10.
PrismC:  NFx=    2048 NFxT=       11 NFxU=       10.
435 vectors were produced by pass  3.
Number of processors reduced from  2 to  1 for far-field.
PrismC:  NFx=    2048 NFxT=       11 NFxU=       9.
PrismC:  NFx=    2048 NFxT=       11 NFxU=       9.
435 vectors were produced by pass  4.
Number of processors reduced from  2 to  1 for far-field.
PrismC:  NFx=    2048 NFxT=       11 NFxU=       8.
PrismC:  NFx=    2048 NFxT=       11 NFxU=       7.
435 vectors were produced by pass  5.
Number of processors reduced from  2 to  1 for far-field.
PrismC:  NFx=    2048 NFxT=       11 NFxU=       5.
PrismC:  NFx=    2048 NFxT=       11 NFxU=       6.
writwa

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1楼 2009-05-25 14:15:42

已阅回复此楼关注TA 给TA发消息送TA红花 TA的回帖

yjcmwgk

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小木虫(金币+0.5):给个红包，谢谢回帖交流
lei0736(金币+3,VIP+0):谢谢 8-21 09:27

这是有错误提示的，错误提示就是最后这个单词：“writwa”，它的意思是临时硬盘区域太小了，Windows不能读写超过两个G的文件。rwf命令就能解决这个问题。参见高斯说明书中"rwf"的用法。
又及：快别用Windows了，建议还是用Linux吧。至少对Gaussian来说，Linux远强于Windows

[ Last edited by yjcmwgk on 2009-5-25 at 14:40 ]