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>>>>>>>>>> Convergence criterion not met.
SCF Done:  E(RB3LYP) =  -3108.04627047     A.U. after  129 cycles
             Convg  =    0.1059D-06             -V/T =  2.0040
Convergence failure -- run terminated.
Error termination via Lnk1e in /public/home/mzy/software/g09/l502.exe at Thu Oct  1 14:38:58 2015.
Job cpu time:  5 days  7 hours 40 minutes 46.3 seconds.
File lengths (MBytes):  RWF=   1866 Int=      0 D2E=      0 Chk=    178 Scr=      1
Error: segmentation violation
   rax 0000000000000000, rbx ffffffffffffffff, rcx ffffffffffffffff
   rdx 0000000000006838, rsp 00007fff6f0c43a8, rbp 00007fff6f0c4990
   rsi 000000000000000b, rdi 0000000000006838, r8  00002b8e3c0b56e0
   r9  0000000000000000, r10 0000000000000000, r11 0000000000000202
   r12 0000000000000000, r13 0000000000000000, r14 00007fff6f0c49d8
   r15 00000000000003e6
  --- traceback not available

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%nprocshared=8
%mem=2000MB
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4Â¥: Originally posted by lastzealot at 2015-10-05 13:06:23
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