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Estimated number of processors is:    3
CoulSu:  requested number of processors reduced to:   6 ShMem   1 Linda.
CoulSu:  requested number of processors reduced to:   8 ShMem   1 Linda.
      3 vectors produced by pass  9 Test12= 4.68D-13 1.00D-09 XBig12= 3.89D-14 6.50D-09.
Estimated number of processors is:    3
CoulSu:  requested number of processors reduced to:   6 ShMem   1 Linda.
Inverted reduced A of dimension  1396 with in-core refinement.
Estimated number of processors is:    3
CoulSu:  requested number of processors reduced to:   5 ShMem   1 Linda.
NIJ > Max2 in MMCore.
Error termination via Lnk1e in /home/wcm/g09/l1002.exe at Wed Jan 19 00:18:06 2011.
Job cpu time:  5 days 22 hours  9 minutes 47.8 seconds.
File lengths (MBytes):  RWF=  19159 Int=      0 D2E=      0 Chk=    213 Scr=      1

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%mem=2GB
%nproc=12
# freq oniom(b3lyp/6-31+g(d):hf/3-21g)
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[ Last edited by angelxsw on 2011-4-12 at 09:36 ]
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Сºì¶¹(½ð±Ò+2): ¸Ðл½»Á÷ 2011-04-12 11:08:27
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Originally posted by jin912 at 2011-04-12 10:16:07:
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Originally posted by angelxsw at 2011-04-12 10:20:21:
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Originally posted by jin912 at 2011-04-12 10:22:29:
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Originally posted by jin912 at 2011-04-12 11:16:10:
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Originally posted by angelxsw at 2011-04-15 08:53:34:
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angelxsw

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Originally posted by jin912 at 2011-04-15 09:48:08:
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