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[ÇóÖú] ¸ß˹¼ÆËã³ö´í ¼ÓÈëstable=opt

Leave Link  601 at Sun Sep 16 18:12:10 2012, MaxMem=   33554432 cpu:       4.8
(Enter /public/software/g09/l801.exe)
Range of M.O.s used for correlation:     1  1498
NBasis=  1498 NAE=   356 NBE=   336 NFC=     0 NFV=     0
NROrb=   1498 NOA=   356 NOB=   336 NVA=  1142 NVB=  1162
Leave Link  801 at Sun Sep 16 18:12:10 2012, MaxMem=   33554432 cpu:       0.1
(Enter /public/software/g09/l914.exe)
UHF ground state
Doing stability rather than CIS.
MDV=    33554432 DFT=T DoStab=T Mixed=T DoRPA=F DoScal=F NonHer=F
Would need an additional************ words for in-memory AO integral storage.
Making orbital integer symmetry assigments:
Orbital symmetries:
Alpha Orbitals:
.
.
.
.
.
.
                 
12 initial guesses have been made.
Convergence on wavefunction:    0.001000000000000
Davidson Disk Diagonalization:  ConvIn= 1.00D-03 SkipCon=T Conv= 1.00D-03.
Max sub-space:   200 roots to seek:    12 dimension of matrix: 796984
Iteration     1 Dimension    12 NMult    12
CISAX needs   3656358 more words of memory.
Error termination via Lnk1e in /public/software/g09/l914.exe at Sun Sep 16 18:12:15 2012.
Job cpu time:  0 days 12 hours 49 minutes  9.1 seconds.
File lengths (MBytes):  RWF=   4067 Int=      0 D2E=      0 Chk=   1170 Scr=      1

g09 job started: Sun Sep 16 05:20:22 CST 2012
g09 job finished: Sun Sep 16 18:12:15 CST 2012
Elapsed time: 46313
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bamboo_

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CISAX needs   3656358 more words of memory.
ÄÚ´æ¸ø´óµãÊÔÊÔ

[ ·¢×ÔÊÖ»ú°æ http://muchong.com/3g ]
2Â¥2012-09-17 01:31:22
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

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Ìú¸Ëľ³æ (ÖøÃûдÊÖ)

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2Â¥: Originally posted by bamboo_ at 2012-09-17 01:31:22
CISAX needs   3656358 more words of memory.
ÄÚ´æ¸ø´óµãÊÔÊÔ

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3Â¥2012-09-17 07:58:49
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