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qzhaosdu金虫 (著名写手)
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[交流]
【求助】请教如下gaussian错误如何处理？
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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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2楼2010-03-10 12:39:30
qzhaosdu
金虫 (著名写手)
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3楼2010-03-11 12:43:54
