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qzhaosdu

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在线: 263.5小时
虫号: 493351
注册: 2008-01-10
性别: GG
专业: 理论和计算化学
管辖: 量子化学

[交流] 【求助】请教如下gaussian错误如何处理？

Disk-based method using ON**2 memory for 24 occupieds at a time.
Permanent disk used for amplitudes= 269041120 words.
Estimated scratch disk usage=  7000573156 words.
Actual scratch disk usage=  6827558116 words.
GetIJB would need an additional 299383427 words of memory to use all 8 processors.
JobTyp=1 Pass  1:  I= 9 to  32 NPSUse=  6 ParTrn=F ParDer=T DoDerP=T.
Spin components of T(2) and E(2):
   alpha-alpha T2 =    0.5527784073D-01 E2=    -0.1833489361D+00
   alpha-beta  T2 =    0.3210281389D+00 E2=    -0.1155431653D+01
   beta-beta T2 =    0.5527784073D-01 E2=    -0.1833489361D+00
ANorm= 0.1196488120D+01
E2 = -0.1522129525D+01 EUMP2 = -0.38557077477399D+03
G2DrvN: will do 21 centers at a time, making 1 passes doing MaxLOS=3.
FoFDir/FoFCou used for L=0 through L=3.
DoAtom=TTTTTTTTTTTTTTTTTTTT
      Differentiating once with respect to electric field.
            with respect to dipole field.
      Differentiating once with respect to nuclear coordinates.
Integrals replicated using symmetry in FoFDir.
MinBra= 0 MaxBra= 3 Meth= 1.
IRaf=    0 NMat=  63 IRICut=    63 DoRegI=T DoRafI=T ISym2E= 2 JSym2E=2.
      There are  63 degrees of freedom in the 1st order CPHF.
60 vectors were produced by pass  0.
AX will form  60 AO Fock derivatives at one time.
60 vectors were produced by pass  1.
60 vectors were produced by pass  2.
60 vectors were produced by pass  3.
60 vectors were produced by pass  4.
60 vectors were produced by pass  5.
60 vectors were produced by pass  6.
25 vectors were produced by pass  7.
   3 vectors were produced by pass  8.
Inv2:  IOpt= 1 Iter= 1 AM= 3.74D-15 Conv= 1.00D-12.
Inverted reduced A of dimension  448 with in-core refinement.
End of Minotr Frequency-dependent properties file 721 does not exist.
MDV=  1610612736.
Form MO integral derivatives with frozen-active canonical formalism.
Discarding MO integrals.
         Reordered first order wavefunction length = 433356800
WUsed= 399227622  WInt=    8836220  WEnd= 6720847872
Dk804= 3114752000. Dk1111=          0. Dk1112=  9560934400.
MaxDsk= 26843545600  LAFull= 433356800  DskLim= 26843545600.
NUsed=21341905762.14165517154. 9724151650. 8455364194. 6932575484. 5917383010.
In DefCFB: NBatch=  1, ICI= 32, ICA=460, LFMax= 46
         Large arrays: LIAPS= 15990865920, LIARS=  2559513600 words.
Erroneous read. Read 0 instead of 832045056.
fd = 4
g_read

请问各位这样的错误是应该加大maxdisk还是要分割磁盘文件啊？

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